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WO 2008/137834 peTIUS2008/062636

Figure IA-I

Atom Type Residue # X Y Z Oee B Type

ATOM 1 N LEU A 4 7.063 22.251 15.190 1. 00 41.54 N
ATOM 2 CA LEU A 4 6.135 21.536 16.128 1. 00 39.72 C
ATOM 3 C LEU A 4 5.386 20.368 15.466 1. 00 36.25 C
ATOM 4 0 LEU A 4 4.807 20.486 14.381 1. 00 37.30 0
ATOM 5 CB LEU A 4 5.143 22.515 16.768 1. 00 42.11 C
ATOM 6 N LYS A 5 5.393 19.236 16.141 1. 00 30.21 N
ATOM 7 CA LYS A 5 4.771 18.046 15.600 1. 00 28.72 C
ATOM 8 C LYS A 5 3.365 17.828 16.166 1. 00 26.04 C
ATOM 9 0 LYS A 5 2.663 16.880 15.777 1. 00 24.51 0
ATOM 10 CB LYS A 5 5.693 16.853 15.820 1. 00 29.65 C
ATOM 11 CG LYS A 5 7.120 17.177 15.426 1. 00 33.63 C
ATOM 12 CD LYS A 5 8.074 16.059 15.767 1. 00 44.36 C
ATOM 13 CE LYS A 5 9.459 16.380 15.221 1. 00 47.74 C
ATOM 14 NZ LYS A 5 10.339 15.186 15.218 1. 00 51.11 N
ATOM 15 N VAL A 6 2.948 18.758 17.036 1. 00 24.07 N
ATOM 16 CA VAL A 6 1.676 18.674 17.743 1. 00 23.32 C
ATOM 17 C VAL A 6 0.927 20.013 17.724 1. 00 23.78 C
ATOM 18 0 VAL A 6 1.547 21.046 17.537 1. 00 23.52 0
ATOM 19 CB VAL A 6 1.897 18.224 19.215 1. 00 21.13 C
ATOM 20 CG1 VAL A 6 2.741 16.965 19.245 1. 00 19.51 C
ATOM 21 CG2 VAL A 6 2.558 19.312 20.028 1. 00 19.28 C
ATOM 22 N GLU A 7 -0.392 19.968 17.906 1. 00 22.05 N
ATOM 23 CA GLU A 7 -1.238 21.158 18.002 1. 00 22.01 C
ATOM 24 C GLU A 7 -2.475 20.939 18.875 1. 00 22.99 C
ATOM 25 0 GLU A 7 -3.041 19.828 18.931 1. 00 24.23 0
ATOM 26 CB GLU A 7 -1.716 21.590 16.608 1. 00 26.26 C
ATOM 27 CG GLU A 7 -2.596 20.553 15.921 1. 00 22.39 C
ATOM 28 CD GLU A 7 -2.908 20.894 14.481 1. 00 25.69 C
ATOM 29 OE1 GLU A 7 -2.370 21.907 13 . 973 1. 00 39.06 0
ATOM 30 OE2 GLU A 7 -3.708 20.161 13.880 1. 00 31.11 0
ATOM 31 N LYS A 8 -2.877 22.010 19.559 1. 00 21.79 N
ATOM 32 CA LYS A 8 -4.123 22.070 20.277 1. 00 24.39 C
ATOM 33 C LYS A 8 -5.305 21.986 19.290 1. 00 23.77 C
ATOM 34 0 LYS A 8 -5.225 22.488 18.171 1. 00 27.89 0
ATOM 35 CB LYS A 8 -4.184 23.372 21.075 1. 00 24.44 C
ATOM 36 CG LYS A 8 -5.496 23.608 21.847 1. 00 26.05 C
ATOM 37 CD LYS A 8 -5.360 24.820 22.740 1. 00 22.00 C
ATOM 38 CE LYS A 8 -5.514 26.093 21.958 1. 00 43.33 C
ATOM 39 NZ LYS A 8 -6.959 26.416 21.777 1. 00 53.70 N
ATOM 40 N PHE A 9 -6.365 21.304 19.693 1. 00 22.77 N
ATOM 41 CA PHE A 9 -7.617 21.278 18.936 1. 00 23.73 C
ATOM 42 C PHE A 9 -8.778 21.068 19.879 1. 00 25.20 C
ATOM 43 0 PHE A 9 -8.580 20.688 21.019 1. 00 23.73 0
ATOM 44 CB PHE A 9 -7.576 20.212 17.823 1. 00 22.67 C
ATOM 45 CG PHE A 9 -7.782 18.793 18.304 1. 00 24.03 C
ATOM 46 CD1 PHE A 9 -8.968 18.115 18.009 1. 00 26.78 C
ATOM 47 CE1 PHE A 9 -9.168 16.809 18.410 1. 00 23.25 C
ATOM 48 CZ PHE A 9 -8.179 16.152 19.147 1. 00 25.25 C
ATOM 49 CE2 PHE A 9 -6.990 16.811 19.451 1. 00 26.22 C
ATOM 50 CD2 PHE A 9 -6.793 18.130 19.020 1. 00 24.93 C
ATOM 51 N ALA A 10 -9.992 21.358 19.415 1. 00 25.65 N
ATOM 52 CA ALA A 10 -11.197 21.092 20.192 1. 00 27.72 C
ATOM 53 C ALA A 10 -11.774 19.737 19.803 1. 00 27.42 C
ATOM 54 0 ALA A 10 -12.063 19.484 18.636 1. 00 28.78 0

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Figure IA-2

Atom Type Residue # X Y Z Oee B Type

ATOM 55 CB ALA A 10 -12.234 22.214 20.000 1. 00 29.48 C
ATOM 56 N THR A 11 -11.884 18.851 20.778 1. 00 27.44 N
ATOM 57 CA THR A 11 -12.457 17.533 20.563 1. 00 25.52 C
ATOM 58 C THR A 11 -13.979 17.680 20.576 1. 00 25.90 C
ATOM 59 0 THR A 11 -14.501 18.704 21.030 1. 00 30.24 0
ATOM 60 CB THR A 11 -12.065 16.502 21.687 1. 00 23.64 C
ATOM 61 OG1 THR A 11 -12.752 16.824 22.898 1. 00 19.17 0
ATOM 62 CG2 THR A 11 -10.575 16.435 21.927 1. 00 17.91 C
ATOM 63 N ALA A 12 -14.678 16.643 20.124 1. 00 29.61 N
ATOM 64 CA ALA A 12 -16.136 16.589 20.198 1. 00 30.56 C
ATOM 65 C ALA A 12 -16.672 16.665 21.616 1. 00 31.73 C
ATOM 66 0 ALA A 12 -17.481 17.539 21.928 1. 00 34.08 0
ATOM 67 CB ALA A 12 -16.661 15.317 19.502 1. 00 31.04 C
ATOM 68 N ASN A 13 -16.211 15.764 22.480 1. 00 33.18 N
ATOM 69 CA ASN A 13 -16.862 15.525 23.765 1. 00 34.88 C
ATOM 70 C ASN A 13 -15.941 15.564 24.986 1. 00 35.01 C
ATOM 71 0 ASN A 13 -16.368 15.223 26.090 1. 00 36.02 0
ATOM 72 CB ASN A 13 -17.551 14.160 23.744 1. 00 37.36 C
ATOM 73 CG ASN A 13 -18.511 14.008 22.583 1. 00 44.39 C
ATOM 74 OD1 ASN A 13 -18.328 13 .141 21.728 1. 00 52.13 0
ATOM 75 ND2 ASN A 13 -19.538 14.859 22.541 1. 00 49.21 N
ATOM 76 N ARG A 14 -14.679 15.947 24.809 1. 00 31.07 N
ATOM 77 CA ARG A 14 -13.768 15.888 25.949 1. 00 25.54 C
ATOM 78 C ARG A 14 -12.874 17.137 26.061 1. 00 24.27 C
ATOM 79 0 ARG A 14 -11.718 17.049 26.485 1. 00 21. 23 0
ATOM 80 CB ARG A 14 -12.979 14.566 25.938 1. 00 22.46 C
ATOM 81 CG ARG A 14 -12.353 14.226 24.596 1. 00 29.81 C
ATOM 82 CD ARG A 14 -11.251 13.209 24.673 1. 00 42.63 C
ATOM 83 NE ARG A 14 -11.763 11.848 24.697 1. 00 51. 24 N
ATOM 84 CZ ARG A 14 -11.057 10.773 24.352 1. 00 53.29 C
ATOM 85 NH1 ARG A 14 -9.803 10.890 23.927 1. 00 50.78 N
ATOM 86 NH2 ARG A 14 -11.622 9.574 24.412 1. 00 53.28 N
ATOM 87 N GLY A 15 -13.424 18.298 25.675 1. 00 21.15 N
ATOM 88 CA GLY A 15 -12.710 19.579 25.782 1. 00 20.97 C
ATOM 89 C GLY A 15 -11.625 19.773 24.746 1. 00 22.61 C
ATOM 90 0 GLY A 15 -11.773 19.373 23.587 1. 00 25.90 0
ATOM 91 N ASN A 16 -10.545 20.426 25.143 1. 00 19.70 N
ATOM 92 CA ASN A 16 -9.411 20.555 24.245 1. 00 20.27 C
ATOM 93 C ASN A 16 -8.550 19.302 24.341 1. 00 18.63 C
ATOM 94 0 ASN A 16 -8.608 18.586 25.346 1. 00 21.60 0
ATOM 95 CB ASN A 16 -8.634 21.819 24.574 1. 00 20.96 C
ATOM 96 CG ASN A 16 -9.490 23.048 24.437 1. 00 24.16 C
ATOM 97 OD1 ASN A 16 -10.185 23.196 23.436 1. 00 21.87 0
ATOM 98 ND2 ASN A 16 -9.506 23.892 25.461 1. 00 22.90 N
ATOM 99 N GLY A 17 -7.808 19.017 23.290 1. 00 16.31 N
ATOM 100 CA GLY A 17 -6.869 17.898 23.287 1. 00 17.92 C
ATOM 101 C GLY A 17 -5.643 18.283 22.472 1. 00 17.72 C
ATOM 102 0 GLY A 17 -5.543 19.402 22.010 1. 00 19.53 0
ATOM 103 N LEU A 18 -4.732 17.342 22.306 1. 00 17.94 N
ATOM 104 CA LEU A 18 -3.567 17.537 21.478 1. 00 20.08 C
ATOM 105 C LEU A 18 -3.595 16.505 20.328 1. 00 17.16 C
ATOM 106 0 LEU A 18 -3.945 15.352 20.545 1. 00 17.99 0
ATOM 107 CB LEU A 18 -2.306 17.415 22.336 1. 00 15.91 C
ATOM 108 CG LEU A 18 -1.000 17.943 21.777 1. 00 22.70 C
ATOM 109 CD1 LEU A 18 -1.046 19.426 21.741 1. 00 23.71 C

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Figure IA-3

Atom Type Residue # X Y Z Oee B Type

ATOM 110 CD2 LEU A 18 0.159 17.518 22.664 1. 00 20.60 C
ATOM 111 N ARG A 19 -3.201 16.925 19.120 1. 00 19.43 N
ATOM 112 CA ARG A 19 -3.104 16.026 17.965 1. 00 20.13 C
ATOM 113 C ARG A 19 -1.817 16.137 17.135 1. 00 18.42 C
ATOM 114 0 ARG A 19 -1.152 17.141 17.188 1. 00 22.98 0
ATOM 115 CB ARG A 19 -4.351 16.105 17.082 1. 00 23.86 C
ATOM 116 CG ARG A 19 -4.424 17.280 16.159 1. 00 18.09 C
ATOM 117 CD ARG A 19 -5.824 17.359 15.547 1. 00 25.54 C
ATOM 118 NE ARG A 19 -6.079 18.680 14.973 1. 00 31.86 N
ATOM 119 CZ ARG A 19 -7.264 19.121 14.538 1. 00 40.98 C
ATOM 120 NH1 ARG A 19 -8.346 18.350 14.606 1. 00 39.85 N
ATOM 121 NH2 ARG A 19 -7.370 20.354 14.041 1. 00 36.15 N
ATOM 122 N ALA A 20 -1.459 15.067 16.428 1. 00 20.42 N
ATOM 123 CA ALA A 20 -0.299 15.029 15.582 1. 00 20.52 C
ATOM 124 C ALA A 20 -0.493 15.945 14.359 1. 00 24.98 C
ATOM 125 0 ALA A 20 -1.530 15.893 13.685 1. 00 25.47 0
ATOM 126 CB ALA A 20 -0.035 13 .622 15.116 1. 00 19.61 C
ATOM 127 N VAL A 21 0.517 16.762 14.100 1. 00 26.34 N
ATOM 128 CA VAL A 21 0.566 17.621 12.907 1. 00 29.92 C
ATOM 129 C VAL A 21 1.189 16.852 11.745 1. 00 31.17 C
ATOM 130 0 VAL A 21 0.851 17.077 10.586 1. 00 32.68 0
ATOM 131 CB VAL A 21 1. 322 18.935 13 .188 1. 00 30.15 C
ATOM 132 CG1 VAL A 21 1. 388 19.828 11.940 1. 00 33.77 C
ATOM 133 CG2 VAL A 21 0.629 19.694 14.322 1. 00 31. 41 C
ATOM 134 N THR A 22 2.067 15.914 12.086 1. 00 32.40 N
ATOM 135 CA THR A 22 2.790 15.066 11.135 1. 00 31.77 C
ATOM 136 C THR A 22 2.702 13.609 11.607 1. 00 30.70 C
ATOM 137 0 THR A 22 2.336 13.368 12.770 1. 00 27.80 0
ATOM 138 CB THR A 22 4.286 15.484 11.037 1. 00 34.82 C
ATOM 139 OG1 THR A 22 4.891 15.455 12.338 1. 00 38.29 0
ATOM 140 CG2 THR A 22 4.431 16.882 10.458 1. 00 37.34 C
ATOM 141 N PRO A 23 3.018 12.627 10.721 1. 00 30.55 N
ATOM 142 CA PRO A 23 3.123 11.238 11.179 1. 00 28.51 C
ATOM 143 C PRO A 23 4.232 11.093 12.223 1. 00 28.53 C
ATOM 144 0 PRO A 23 5.307 11.658 12.052 1. 00 30.53 0
ATOM 145 CB PRO A 23 3.532 10.477 9.914 1. 00 29.94 C
ATOM 146 CG PRO A 23 3.104 11.361 8.771 1. 00 34.14 C
ATOM 147 CD PRO A 23 3.329 12.749 9.280 1. 00 29.63 C
ATOM 148 N LEU A 24 3.978 10.341 13 .294 1. 00 28.15 N
ATOM 149 CA LEU A 24 4.974 10.146 14.346 1. 00 23.88 C
ATOM 150 C LEU A 24 5.400 8.686 14.472 1. 00 23.40 C
ATOM 151 0 LEU A 24 4.594 7.746 14.299 1. 00 23.12 0
ATOM 152 CB LEU A 24 4.448 10.671 15.691 1. 00 24.00 C
ATOM 153 CG LEU A 24 3.770 12.044 15.738 1. 00 26.86 C
ATOM 154 CD1 LEU A 24 2.962 12.220 17.057 1. 00 16.26 C
ATOM 155 CD2 LEU A 24 4.758 13 .180 15.471 1. 00 25.10 C
ATOM 156 N ARG A 25 6.681 8.505 14.749 1. 00 23.17 N
ATOM 157 CA ARG A 25 7.280 7.199 14.906 1. 00 21.83 C
ATOM 158 C ARG A 25 7.488 6.891 16.409 1. 00 22.33 C
ATOM 159 0 ARG A 25 7.618 7.825 17.215 1. 00 19.69 0
ATOM 160 CB ARG A 25 8.630 7.158 14.191 1. 00 27.42 C
ATOM 161 N PRO A 26 7.554 5.599 16.765 1. 00 21.93 N
ATOM 162 CA PRO A 26 7.810 5.220 18.165 1. 00 21. 26 C
ATOM 163 C PRO A 26 9.093 5.820 18.681 1. 00 20.63 C
ATOM 164 0 PRO A 26 10.149 5.657 18.057 1. 00 20.58 0

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Figure IA-4

Atom Type Residue # X Y Z Oee B Type

ATOM 165 CB PRO A 26 7.930 3.693 18.095 1. 00 20.05 C
ATOM 166 CG PRO A 26 7.147 3.335 16.902 1. 00 24.70 C
ATOM 167 CD PRO A 26 7.385 4.400 15.917 1. 00 20.59 C
ATOM 168 N GLY A 27 9.010 6.506 19.820 1. 00 17.78 N
ATOM 169 CA GLY A 27 10.176 7.107 20.438 1. 00 19.20 C
ATOM 170 C GLY A 27 10.368 8.557 20.066 1. 00 18.67 C
ATOM 171 0 GLY A 27 11.211 9.228 20.629 1. 00 22.20 0
ATOM 172 N GLU A 28 9.585 9.066 19.120 1. 00 20.44 N
ATOM 173 CA GLU A 28 9.788 10.433 18.664 1. 00 18.04 C
ATOM 174 C GLU A 28 9.454 11.455 19.769 1. 00 19.86 C
ATOM 175 0 GLU A 28 8.371 11.419 20.370 1. 00 18.49 0
ATOM 176 CB GLU A 28 8.941 10.703 17.433 1. 00 20.82 C
ATOM 177 CG GLU A 28 9.295 11.996 16.690 1. 00 26.17 C
ATOM 178 CD GLU A 28 8.778 12.003 15.254 1. 00 35.01 C
ATOM 179 OE1 GLU A 28 8.389 10.928 14.730 1. 00 33.87 0
ATOM 180 OE2 GLU A 28 8.781 13.086 14.644 1. 00 39.92 0
ATOM 181 N LEU A 29 10.385 12.369 20.017 1. 00 21.19 N
ATOM 182 CA LEU A 29 10.157 13.447 20.973 1. 00 21. 42 C
ATOM 183 C LEU A 29 9.164 14.474 20.441 1. 00 21.91 C
ATOM 184 0 LEU A 29 9.363 15.078 19.373 1. 00 22.06 0
ATOM 185 CB LEU A 29 11.494 14.103 21.347 1. 00 23.27 C
ATOM 186 CG LEU A 29 11.539 15.214 22.404 1. 00 27.23 C
ATOM 187 CD1 LEU A 29 11.069 14.743 23.795 1. 00 21.57 C
ATOM 188 CD2 LEU A 29 12.936 15.786 22.452 1. 00 25.91 C
ATOM 189 N LEU A 30 8.098 14.673 21.204 1. 00 18.08 N
ATOM 190 CA LEU A 30 7.014 15.556 20.828 1. 00 18.18 C
ATOM 191 C LEU A 30 7.058 16.946 21.474 1. 00 17.76 C
ATOM 192 0 LEU A 30 6.673 17.951 20.845 1. 00 20.73 0
ATOM 193 CB LEU A 30 5.682 14.859 21.147 1. 00 16.18 C
ATOM 194 CG LEU A 30 5.498 13.463 20.565 1. 00 16.41 C
ATOM 195 CD1 LEU A 30 4.063 13.013 20.786 1. 00 17.47 C
ATOM 196 CD2 LEU A 30 5.846 13.495 19.061 1. 00 21. 36 C
ATOM 197 N PHE A 31 7.480 16.997 22.736 1. 00 19.08 N
ATOM 198 CA PHE A 31 7.542 18.231 23.529 1. 00 17.99 C
ATOM 199 C PHE A 31 8.467 17.980 24.718 1. 00 20.89 C
ATOM 200 0 PHE A 31 8.612 16.839 25.174 1. 00 22.13 0
ATOM 201 CB PHE A 31 6.126 18.646 23.999 1. 00 17.24 C
ATOM 202 CG PHE A 31 5.985 20.120 24.305 1. 00 23.20 C
ATOM 203 CD1 PHE A 31 5.790 21.051 23.285 1. 00 29.97 C
ATOM 204 CE1 PHE A 31 5.649 22.428 23.592 1. 00 23.04 C
ATOM 205 CZ PHE A 31 5.732 22.857 24.904 1. 00 24.21 C
ATOM 206 CE2 PHE A 31 5.911 21.931 25.929 1. 00 30.22 C
ATOM 207 CD2 PHE A 31 6.046 20.575 25.622 1. 00 25.17 C
ATOM 208 N ARG A 32 9.183 19.006 25.145 1. 00 18.94 N
ATOM 209 CA ARG A 32 9.823 18.954 26.421 1. 00 20.65 C
ATOM 210 C ARG A 32 9.596 20.194 27.207 1. 00 18.73 C
ATOM 211 0 ARG A 32 9.529 21.292 26.652 1. 00 18.26 0
ATOM 212 CB ARG A 32 11.307 18.659 26.323 1. 00 21. 45 C
ATOM 213 CG ARG A 32 12.124 19.527 25.429 1. 00 25.37 C
ATOM 214 CD ARG A 32 13 .403 18.784 25.039 1. 00 26.37 C
ATOM 215 NE ARG A 32 14.231 18.468 26.204 1. 00 23.19 N
ATOM 216 CZ ARG A 32 15.477 17.987 26.154 1. 00 26.92 C
ATOM 217 NH1 ARG A 32 16.072 17.771 24.985 1. 00 26.65 N
ATOM 218 NH2 ARG A 32 16.139 17.750 27.288 1. 00 24.54 N
ATOM 219 N SER A 33 9.547 20.046 28.518 1. 00 22.89 N

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Figure IA-5

Atom Type Residue # X Y Z Oee B Type

ATOM 220 CA SER A 33 9.197 21.178 29.333 1. 00 22.44 C
ATOM 221 C SER A 33 9.736 21.072 30.739 1. 00 21.70 C
ATOM 222 0 SER A 33 9.747 19.990 31.340 1. 00 21. 44 0
ATOM 223 CB SER A 33 7.658 21.245 29.371 1. 00 26.82 C
ATOM 224 OG SER A 33 7.225 22.324 30.127 1. 00 22.99 0
ATOM 225 N ASP A 34 10.160 22.220 31.265 1. 00 19.33 N
ATOM 226 CA ASP A 34 10.348 22.378 32.675 1. 00 19.53 C
ATOM 227 C ASP A 34 8.972 22.727 33.244 1. 00 17.38 C
ATOM 228 0 ASP A 34 8.082 23.137 32.494 1. 00 18.07 0
ATOM 229 CB ASP A 34 11.362 23.499 32.983 1. 00 22.09 C
ATOM 230 CG ASP A 34 12.787 23.100 32.653 1. 00 25.34 C
ATOM 231 OD1 ASP A 34 13 .157 21.925 32.892 1. 00 31. 30 0
ATOM 232 OD2 ASP A 34 13.541 23.968 32.173 1. 00 40.82 0
ATOM 233 N PRO A 35 8.803 22.580 34.564 1. 00 17.97 N
ATOM 234 CA PRO A 35 7.510 22.914 35.199 1. 00 18.14 C
ATOM 235 C PRO A 35 7.225 24.405 35.163 1. 00 17.05 C
ATOM 236 0 PRO A 35 8.158 25.206 35.152 1. 00 20.58 0
ATOM 237 CB PRO A 35 7.685 22.426 36.634 1. 00 21.14 C
ATOM 238 CG PRO A 35 8.988 21.633 36.635 1. 00 16.19 C
ATOM 239 CD PRO A 35 9.800 22.144 35.547 1. 00 16.49 C
ATOM 240 N LEU A 36 5.952 24.787 35.063 1. 00 18.82 N
ATOM 241 CA LEU A 36 5.573 26.178 35.371 1. 00 20.46 C
ATOM 242 C LEU A 36 5.919 26.452 36.840 1. 00 19.44 C
ATOM 243 0 LEU A 36 6.499 27.507 37.171 1. 00 19.11 0
ATOM 244 CB LEU A 36 4.097 26.437 35.112 1. 00 23.10 C
ATOM 245 CG LEU A 36 3.555 27.772 35.650 1. 00 18.04 C
ATOM 246 CD1 LEU A 36 4.077 28.992 34.862 1. 00 22.68 C
ATOM 247 CD2 LEU A 36 2.039 27.727 35.616 1. 00 19.69 C
ATOM 248 N ALA A 37 5.599 25.474 37.690 1. 00 17.38 N
ATOM 249 CA ALA A 37 5.906 25.462 39.117 1. 00 18.54 C
ATOM 250 C ALA A 37 5.921 24.010 39.583 1. 00 18.21 C
ATOM 251 0 ALA A 37 5.228 23.200 39.010 1. 00 18.22 0
ATOM 252 CB ALA A 37 4.840 26.234 39.917 1. 00 19.67 C
ATOM 253 N TYR A 38 6.717 23.707 40.611 1. 00 17.74 N
ATOM 254 CA TYR A 38 6.782 22.382 41.227 1. 00 18.57 C
ATOM 255 C TYR A 38 7.307 22.483 42.617 1. 00 19.70 C
ATOM 256 0 TYR A 38 7.909 23.489 42.962 1. 00 24.27 0
ATOM 257 CB TYR A 38 7.700 21.432 40.411 1. 00 18.14 C
ATOM 258 CG TYR A 38 9.176 21.695 40.575 1. 00 15.45 C
ATOM 259 CD1 TYR A 38 9.996 20.780 41.251 1. 00 17.84 C
ATOM 260 CE1 TYR A 38 11.328 21.007 41.392 1. 00 21.73 C
ATOM 261 CZ TYR A 38 11.883 22.171 40.872 1. 00 18.70 C
ATOM 262 OH TYR A 38 13.227 22.417 40.982 1. 00 23.73 0
ATOM 263 CE2 TYR A 38 11.108 23.086 40.198 1. 00 24.10 C
ATOM 264 CD2 TYR A 38 9.762 22.836 40.041 1. 00 17.87 C
ATOM 265 N THR A 39 7.102 21. 412 43.390 1. 00 18.40 N
ATOM 266 CA THR A 39 7.643 21.258 44.705 1. 00 23.00 C
ATOM 267 C THR A 39 7.907 19.775 44.964 1. 00 21. 46 C
ATOM 268 0 THR A 39 7.239 18.929 44.399 1. 00 20.29 0
ATOM 269 CB THR A 39 6.678 21.856 45.783 1. 00 21.75 C
ATOM 270 OG1 THR A 39 7.255 21.751 47.082 1. 00 26.37 0
ATOM 271 CG2 THR A 39 5.334 21.183 45.761 1. 00 23.15 C
ATOM 272 N VAL A 40 8.889 19.499 45.819 1. 00 20.33 N
ATOM 273 CA VAL A 40 9.150 18.182 46.371 1. 00 20.95 C
ATOM 274 C VAL A 40 7.864 17.730 47.063 1. 00 21.90 C

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Figure IA-6

Atom Type Residue # X Y Z Oee B Type

ATOM 275 0 VAL A 40 7.160 18.547 47.608 1. 00 22.92 0
ATOM 276 CB VAL A 40 10.401 18.188 47.333 1. 00 23.68 C
ATOM 277 CG1 VAL A 40 10.224 19.165 48.516 1. 00 25.59 C
ATOM 278 CG2 VAL A 40 10.696 16.792 47.849 1. 00 22.78 C
ATOM 279 N CYS A 41 7.544 16.439 46.999 1. 00 21. 28 N
ATOM 280 CA CYS A 41 6.320 15.924 47.602 1. 00 21.02 C
ATOM 281 C CYS A 41 6.492 15.615 49.086 1. 00 22.19 C
ATOM 282 0 CYS A 41 7.594 15.672 49.592 1. 00 22.06 0
ATOM 283 CB CYS A 41 5.765 14.726 46.798 1. 00 23.58 C
ATOM 284 SG CYS A 41 6.793 13.258 46.916 1. 00 29.99 S
ATOM 285 N LYS A 42 5.377 15.324 49.769 1. 00 22.93 N
ATOM 286 CA LYS A 42 5.321 15.197 51.218 1. 00 24.21 C
ATOM 287 C LYS A 42 6.323 14.172 51.746 1. 00 25.17 C
ATOM 288 0 LYS A 42 7.081 14.466 52.647 1. 00 28.10 0
ATOM 289 CB LYS A 42 3.895 14.818 51.654 1. 00 27.31 C
ATOM 290 N GLY A 43 6.315 12.979 51.155 1. 00 26.77 N
ATOM 291 CA GLY A 43 7.159 11.889 51.590 1. 00 23.53 C
ATOM 292 C GLY A 43 8.637 12.007 51.284 1. 00 20.79 C
ATOM 293 0 GLY A 43 9.429 11.333 51.913 1. 00 21.17 0
ATOM 294 N SER A 44 8.992 12.821 50.289 1. 00 20.86 N
ATOM 295 CA SER A 44 10.357 13.019 49.848 1. 00 17.41 C
ATOM 296 C SER A 44 11.005 14.283 50.408 1. 00 19.57 C
ATOM 297 0 SER A 44 12.198 14.456 50.257 1. 00 20.41 0
ATOM 298 CB SER A 44 10.441 13.004 48.304 1. 00 16.66 C
ATOM 299 OG SER A 44 10.203 11.699 47.807 1. 00 28.33 0
ATOM 300 N ARG A 45 10.210 15.156 51.048 1. 00 23.59 N
ATOM 301 CA ARG A 45 10.724 16.343 51.729 1. 00 26.23 C
ATOM 302 C ARG A 45 11.855 15.974 52.676 1. 00 26.13 C
ATOM 303 0 ARG A 45 11.700 15.116 53.535 1. 00 28.18 0
ATOM 304 CB ARG A 45 9.612 17.075 52.483 1. 00 27.27 C
ATOM 305 CG ARG A 45 10.068 18.324 53.189 1. 00 41.68 C
ATOM 306 CD ARG A 45 8.898 19.083 53.784 1. 00 50.91 C
ATOM 307 NE ARG A 45 8.524 18.645 55.132 1. 00 58.75 N
ATOM 308 CZ ARG A 45 7.585 17.741 55.410 1. 00 66.28 C
ATOM 309 NH1 ARG A 45 6.904 17.139 54.439 1. 00 70.34 N
ATOM 310 NH2 ARG A 45 7.326 17.432 56.674 1. 00 71.55 N
ATOM 311 N GLY A 46 13.008 16.600 52.472 1. 00 30.17 N
ATOM 312 CA GLY A 46 14.193 16.327 53.284 1. 00 30.83 C
ATOM 313 C GLY A 46 14.991 15.101 52.881 1. 00 29.13 C
ATOM 314 0 GLY A 46 16.055 14.879 53.423 1. 00 30.41 0
ATOM 315 N VAL A 47 14.483 14.299 51.937 1. 00 26.03 N
ATOM 316 CA VAL A 47 15.181 13 .108 51.476 1. 00 24.45 C
ATOM 317 C VAL A 47 15.893 13.387 50.148 1. 00 23.06 C
ATOM 318 0 VAL A 47 16.977 12.875 49.871 1. 00 23.63 0
ATOM 319 CB VAL A 47 14.196 11.876 51.309 1. 00 23.02 C
ATOM 320 CG1 VAL A 47 14.965 10.609 50.976 1. 00 26.99 C
ATOM 321 CG2 VAL A 47 13.361 11.669 52.569 1. 00 31.77 C
ATOM 322 N VAL A 48 15.254 14.179 49.307 1. 00 19.51 N
ATOM 323 CA VAL A 48 15.818 14.559 48.026 1. 00 21. 30 C
ATOM 324 C VAL A 48 16.011 16.062 47.983 1. 00 20.95 C
ATOM 325 0 VAL A 48 15.381 16.796 48.761 1. 00 26.92 0
ATOM 326 CB VAL A 48 14.884 14.136 46.850 1. 00 19.26 C
ATOM 327 CG1 VAL A 48 14.533 12.688 46.936 1. 00 19.48 C
ATOM 328 CG2 VAL A 48 13.639 15.008 46.809 1. 00 24.94 C
ATOM 329 N CYS A 49 16.852 16.520 47.067 1. 00 21.60 N

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Figure IA-7

Atom Type Residue # X Y Z Oee B Type

ATOM 330 CA CYS A 49 17.115 17.928 46.916 1. 00 21.15 C
ATOM 331 C CYS A 49 15.889 18.669 46.440 1. 00 23.55 C
ATOM 332 0 CYS A 49 15.277 18.263 45.462 1. 00 23.67 0
ATOM 333 CB CYS A 49 18.236 18.155 45.918 1. 00 22.68 C
ATOM 334 SG CYS A 49 18.537 19.902 45.551 1. 00 23.68 S
ATOM 335 N ASP A 50 15.567 19.777 47.110 1. 00 23.14 N
ATOM 336 CA ASP A 50 14.422 20.634 46.739 1. 00 25.65 C
ATOM 337 C ASP A 50 14.350 20.988 45.276 1. 00 22.40 C
ATOM 338 0 ASP A 50 13.268 21.009 44.700 1. 00 23.56 0
ATOM 339 CB ASP A 50 14.400 21.919 47.540 1. 00 24.16 C
ATOM 340 CG ASP A 50 13.367 21.905 48.592 1. 00 22.00 C
ATOM 341 OD1 ASP A 50 13 .402 20.999 49.440 1. 00 29.53 0
ATOM 342 OD2 ASP A 50 12.529 22.825 48.597 1. 00 37.12 0
ATOM 343 N ARG A 51 15.522 21.206 44.687 1. 00 20.99 N
ATOM 344 CA ARG A 51 15.653 21.718 43.359 1. 00 20.33 C
ATOM 345 C ARG A 51 15.700 20.557 42.342 1. 00 21. 34 C
ATOM 346 0 ARG A 51 14.790 20.411 41. 517 1. 00 19.67 0
ATOM 347 CB ARG A 51 16.888 22.640 43.300 1. 00 19.15 C
ATOM 348 CG ARG A 51 17.290 23.184 41.951 1. 00 26.42 C
ATOM 349 CD ARG A 51 16.229 24.098 41.384 1. 00 38.44 C
ATOM 350 NE ARG A 51 16.601 24.616 40.077 1. 00 50.77 N
ATOM 351 CZ ARG A 51 15.880 25.499 39.391 1. 00 56.60 C
ATOM 352 NH1 ARG A 51 14.733 25.964 39.885 1. 00 49.60 N
ATOM 353 NH2 ARG A 51 16.308 25.914 38.204 1. 00 59.11 N
ATOM 354 N CYS A 52 16.738 19.736 42.427 1. 00 22.51 N
ATOM 355 CA CYS A 52 17.015 18.706 41.409 1. 00 24.08 C
ATOM 356 C CYS A 52 16.341 17.346 41.679 1. 00 22.17 C
ATOM 357 0 CYS A 52 16.376 16.474 40.820 1. 00 26.05 0
ATOM 358 CB CYS A 52 18.546 18.546 41.193 1. 00 22.43 C
ATOM 359 SG CYS A 52 19.412 17.699 42.541 1. 00 26.51 S
ATOM 360 N LEU A 53 15.709 17.199 42.843 1. 00 18.41 N
ATOM 361 CA LEU A 53 14.904 16.048 43.200 1. 00 18.83 C
ATOM 362 C LEU A 53 15.718 14.745 43.218 1. 00 21.76 C
ATOM 363 0 LEU A 53 15.156 13.668 43.106 1. 00 25.93 0
ATOM 364 CB LEU A 53 13.640 15.930 42.319 1. 00 17.52 C
ATOM 365 CG LEU A 53 12.701 17.145 42.326 1. 00 20.62 C
ATOM 366 CD1 LEU A 53 11.543 16.895 41.362 1. 00 20.61 C
ATOM 367 CD2 LEU A 53 12.220 17.533 43.735 1. 00 16.89 C
ATOM 368 N LEU A 54 17.040 14.870 43.399 1. 00 23.61 N
ATOM 369 CA LEU A 54 17.939 13.709 43.556 1. 00 25.31 C
ATOM 370 C LEU A 54 18.239 13.499 45.020 1. 00 28.00 C
ATOM 371 0 LEU A 54 18.418 14.467 45.757 1. 00 27.74 0
ATOM 372 CB LEU A 54 19.245 13.919 42.816 1. 00 24.61 C
ATOM 373 CG LEU A 54 19.199 14.127 41.321 1. 00 24.07 C
ATOM 374 CD1 LEU A 54 20.628 14.311 40.862 1. 00 29.46 C
ATOM 375 CD2 LEU A 54 18.493 12.967 40.569 1. 00 24.89 C
ATOM 376 N GLY A 55 18.299 12.235 45.432 1. 00 30.54 N
ATOM 377 CA GLY A 55 18.519 11.870 46.826 1. 00 32.53 C
ATOM 378 C GLY A 55 19.994 11.853 47.186 1. 00 34.95 C
ATOM 379 0 GLY A 55 20.833 11.509 46.368 1. 00 35.30 0
ATOM 380 N LYS A 56 20.304 12.248 48.413 1. 00 39.07 N
ATOM 381 CA LYS A 56 21.684 12.307 48.890 1. 00 43.74 C
ATOM 382 C LYS A 56 21.715 12.070 50.380 1. 00 48.45 C
ATOM 383 0 LYS A 56 20.773 12.445 51.092 1. 00 49.96 0
ATOM 384 CB LYS A 56 22.319 13.663 48.589 1. 00 42.59 C

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Figure IA-8

Atom Type Residue # X Y Z Oee B Type

ATOM 385 N GLU A 57 22.806 11.452 50.843 1. 00 52.31 N
ATOM 386 CA GLU A 57 23.050 11.234 52.273 1. 00 53.52 C
ATOM 387 C GLU A 57 23.136 12.560 53.037 1. 00 53.70 C
ATOM 388 0 GLU A 57 22.663 12.649 54.173 1. 00 56.39 0
ATOM 389 CB GLU A 57 24.325 10.406 52.485 1. 00 53.99 C
ATOM 390 N LYS A 58 23.721 13 .582 52.403 1. 00 51. 45 N
ATOM 391 CA LYS A 58 23.860 14.917 53.004 1. 00 48.86 C
ATOM 392 C LYS A 58 23.221 16.028 52.159 1. 00 44.44 C
ATOM 393 0 LYS A 58 23.699 16.376 51.079 1. 00 45.83 0
ATOM 394 CB LYS A 58 25.336 15.244 53.276 1. 00 49.50 C
ATOM 395 N LEU A 59 22.128 16.576 52.663 1. 00 40.96 N
ATOM 396 CA LEU A 59 21.530 17.763 52.075 1. 00 35.31 C
ATOM 397 C LEU A 59 21.719 18.911 53.060 1. 00 36.33 C
ATOM 398 0 LEU A 59 21.591 18.706 54.273 1. 00 33.46 0
ATOM 399 CB LEU A 59 20.031 17.540 51.857 1. 00 37.68 C
ATOM 400 CG LEU A 59 19.569 16.425 50.905 1. 00 32.26 C
ATOM 401 CD1 LEU A 59 18.101 16.179 51.079 1. 00 33.15 C
ATOM 402 CD2 LEU A 59 19.905 16.749 49.474 1. 00 30.38 C
ATOM 403 N MET A 60 21.993 20.102 52.536 1. 00 37.62 N
ATOM 404 CA MET A 60 22.127 21.329 53.338 1. 00 41.65 C
ATOM 405 C MET A 60 20.816 22.140 53.441 1. 00 38.05 C
ATOM 406 0 MET A 60 20.276 22.596 52.445 1. 00 35.80 0
ATOM 407 CB MET A 60 23.243 22.205 52.767 1. 00 41.15 C
ATOM 408 CG MET A 60 22.985 22.681 51.335 1. 00 47.31 C
ATOM 409 SD MET A 60 24.436 23.248 50.428 1. 00 57.41 S
ATOM 410 CE MET A 60 24.805 24.790 51.277 1. 00 66.64 C
ATOM 411 N ARG A 61 20.326 22.323 54.662 1. 00 37.41 N
ATOM 412 CA ARG A 61 19.108 23.084 54.909 1. 00 34.91 C
ATOM 413 C ARG A 61 19.280 24.576 54.583 1. 00 34.87 C
ATOM 414 0 ARG A 61 20.391 25.115 54.643 1. 00 34.13 0
ATOM 415 CB ARG A 61 18.652 22.892 56.357 1. 00 36.33 C
ATOM 416 N CYS A 62 18.187 25.226 54.184 1. 00 30.34 N
ATOM 417 CA CYS A 62 18.171 26.673 54.037 1. 00 30.05 C
ATOM 418 C CYS A 62 18.273 27.297 55.429 1. 00 28.88 C
ATOM 419 0 CYS A 62 17.538 26.920 56.326 1. 00 27.28 0
ATOM 420 CB CYS A 62 16.872 27.140 53.364 1. 00 30.87 C
ATOM 421 SG CYS A 62 16.564 28.948 53.408 1. 00 28.57 S
ATOM 422 N SER A 63 19.169 28.263 55.585 1. 00 31. 36 N
ATOM 423 CA SER A 63 19.431 28.905 56.891 1. 00 32.41 C
ATOM 424 C SER A 63 18.243 29.641 57.492 1. 00 31.82 C
ATOM 425 0 SER A 63 18.069 29.679 58.725 1. 00 30.48 0
ATOM 426 CB SER A 63 20.576 29.896 56.743 1. 00 33.96 C
ATOM 427 OG SER A 63 21.793 29.190 56.601 1. 00 44.87 0
ATOM 428 N GLN A 64 17.448 30.243 56.611 1. 00 29.83 N
ATOM 429 CA GLN A 64 16.355 31.105 57.001 1. 00 29.16 C
ATOM 430 C GLN A 64 15.118 30.339 57.461 1. 00 30.79 C
ATOM 431 0 GLN A 64 14.533 30.691 58.481 1. 00 32.88 0
ATOM 432 CB GLN A 64 16.026 32.089 55.875 1. 00 28.01 C
ATOM 433 CG GLN A 64 17.236 32.664 55.153 1. 00 37.99 C
ATOM 434 CD GLN A 64 18.185 33.399 56.081 1. 00 54.23 C
ATOM 435 OE1 GLN A 64 17.765 34.236 56.885 1. 00 61.69 0
ATOM 436 NE2 GLN A 64 19.477 33.090 55.974 1. 00 60.24 N
ATOM 437 N CYS A 65 14.714 29.284 56.742 1. 00 31.93 N
ATOM 438 CA CYS A 65 13.548 28.485 57.179 1. 00 29.22 C
ATOM 439 C CYS A 65 13.886 27.136 57.820 1. 00 31.62 C

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Figure IA-9

Atom Type Residue # X Y Z Oee B Type

ATOM 440 0 CYS A 65 13.086 26.613 58.594 1. 00 30.20 0
ATOM 441 CB CYS A 65 12.570 28.244 56.026 1. 00 30.06 C
ATOM 442 SG CYS A 65 13.353 27.406 54.648 1. 00 27.49 S
ATOM 443 N ARG A 66 15.058 26.592 57.491 1. 00 28.55 N
ATOM 444 CA ARG A 66 15.453 25.239 57.865 1. 00 33.29 C
ATOM 445 C ARG A 66 14.478 24.157 57.362 1. 00 31. 22 C
ATOM 446 0 ARG A 66 14.406 23.086 57.936 1. 00 34.32 0
ATOM 447 CB ARG A 66 15.664 25.123 59.387 1. 00 33.98 C
ATOM 448 CG ARG A 66 16.215 26.383 60.001 1. 00 38.09 C
ATOM 449 CD ARG A 66 17.305 26.124 60.964 1. 00 43.19 C
ATOM 450 NE ARG A 66 18.347 27.131 60.812 1. 00 38.59 N
ATOM 451 CZ ARG A 66 19.374 27.253 61.641 1. 00 39.68 C
ATOM 452 NH1 ARG A 66 19.476 26.433 62.670 1. 00 36.52 N
ATOM 453 NH2 ARG A 66 20.289 28.188 61.440 1. 00 43.46 N
ATOM 454 N VAL A 67 13.751 24.454 56.293 1. 00 30.23 N
ATOM 455 CA VAL A 67 12.760 23.537 55.710 1. 00 30.60 C
ATOM 456 C VAL A 67 13.215 23.073 54.310 1. 00 30.37 C
ATOM 457 0 VAL A 67 13.309 21.877 54.059 1. 00 33.39 0
ATOM 458 CB VAL A 67 11.306 24.166 55.684 1. 00 31.53 C
ATOM 459 CG1 VAL A 67 10.300 23.208 55.019 1. 00 26.64 C
ATOM 460 CG2 VAL A 67 10.832 24.523 57.111 1. 00 24.55 C
ATOM 461 N ALA A 68 13.500 24.011 53.413 1. 00 27.14 N
ATOM 462 CA ALA A 68 14.075 23.688 52.110 1. 00 25.99 C
ATOM 463 C ALA A 68 15.471 23.076 52.287 1. 00 27.72 C
ATOM 464 0 ALA A 68 16.296 23.593 53.040 1. 00 29.70 0
ATOM 465 CB ALA A 68 14.158 24.927 51.228 1. 00 27.21 C
ATOM 466 N LYS A 69 15.724 21.965 51.605 1. 00 25.10 N
ATOM 467 CA LYS A 69 17.035 21.331 51.656 1. 00 25.32 C
ATOM 468 C LYS A 69 17.604 21.136 50.256 1. 00 25.74 C
ATOM 469 0 LYS A 69 16.872 20.903 49.303 1. 00 23.33 0
ATOM 470 CB LYS A 69 16.987 20.009 52.406 1. 00 25.11 C
ATOM 471 CG LYS A 69 16.539 20.096 53.834 1. 00 28.80 C
ATOM 472 CD LYS A 69 16.920 18.823 54.565 1. 00 40.10 C
ATOM 473 CE LYS A 69 15.990 18.523 55.738 1. 00 47.38 C
ATOM 474 NZ LYS A 69 15.720 19.705 56.596 1. 00 54.24 N
ATOM 475 N TYR A 70 18.921 21.246 50.141 1. 00 26.53 N
ATOM 476 CA TYR A 70 19.594 21.184 48.855 1. 00 26.14 C
ATOM 477 C TYR A 70 20.801 20.274 48.922 1. 00 29.41 C
ATOM 478 0 TYR A 70 21.377 20.098 49.984 1. 00 28.37 0
ATOM 479 CB TYR A 70 20.014 22.587 48.418 1. 00 28.14 C
ATOM 480 CG TYR A 70 18.861 23.540 48.388 1. 00 30.52 C
ATOM 481 CD1 TYR A 70 17.959 23.542 47.306 1. 00 26.08 C
ATOM 482 CE1 TYR A 70 16.896 24.401 47.280 1. 00 25.13 C
ATOM 483 CZ TYR A 70 16.701 25.278 48.324 1. 00 28.35 C
ATOM 484 OH TYR A 70 15.631 26.117 48.298 1. 00 24.15 0
ATOM 485 CE2 TYR A 70 17.568 25.298 49.411 1. 00 35.10 C
ATOM 486 CD2 TYR A 70 18.639 24.420 49.436 1. 00 32.75 C
ATOM 487 N CYS A 71 21.168 19.705 47.774 1. 00 31.79 N
ATOM 488 CA CYS A 71 22.349 18.864 47.648 1. 00 32.55 C
ATOM 489 C CYS A 71 23.633 19.690 47.453 1. 00 33.54 C
ATOM 490 0 CYS A 71 24.731 19.174 47.620 1. 00 35.52 0
ATOM 491 CB CYS A 71 22.191 17.949 46.439 1. 00 30.51 C
ATOM 492 SG CYS A 71 22.287 18.846 44.889 1. 00 30.89 S
ATOM 493 N SER A 72 23.487 20.950 47.052 1. 00 35.18 N
ATOM 494 CA SER A 72 24.620 21.746 46.630 1. 00 36.00 C

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Figure IA-lO

Atom Type Residue # X Y Z Oee B Type

ATOM 495 C SER A 72 24.317 23.232 46.730 1. 00 38.64 C
ATOM 496 0 SER A 72 23.153 23.641 46.700 1. 00 38.01 0
ATOM 497 CB SER A 72 24.964 21.407 45.186 1. 00 36.24 C
ATOM 498 OG SER A 72 23.928 21.803 44.317 1. 00 32.75 0
ATOM 499 N ALA A 73 25.372 24.039 46.833 1. 00 41.08 N
ATOM 500 CA ALA A 73 25.246 25.500 46.751 1. 00 41.56 C
ATOM 501 C ALA A 73 24.597 25.932 45.436 1. 00 40.94 C
ATOM 502 0 ALA A 73 23.813 26.878 45.407 1. 00 42.06 0
ATOM 503 CB ALA A 73 26.624 26.171 46.920 1. 00 42.24 C
ATOM 504 N LYS A 74 24.933 25.237 44.349 1. 00 40.53 N
ATOM 505 CA LYS A 74 24.375 25.537 43.028 1. 00 38.37 C
ATOM 506 C LYS A 74 22.849 25.392 43.021 1. 00 34.84 C
ATOM 507 0 LYS A 74 22.139 26.268 42.507 1. 00 32.26 0
ATOM 508 CB LYS A 74 25.002 24.641 41.948 1. 00 40.24 C
ATOM 509 N CYS A 75 22.356 24.299 43.602 1. 00 33.42 N
ATOM 510 CA CYS A 75 20.914 24.054 43.666 1. 00 30.26 C
ATOM 511 C CYS A 75 20.236 25.097 44.564 1. 00 30.95 C
ATOM 512 0 CYS A 75 19.204 25.629 44.197 1. 00 29.63 0
ATOM 513 CB CYS A 75 20.586 22.604 44.085 1. 00 31. 25 C
ATOM 514 SG CYS A 75 20.641 21.323 42.735 1. 00 28.01 S
ATOM 515 N GLN A 76 20.846 25.420 45.710 1. 00 33.54 N
ATOM 516 CA GLN A 76 20.302 26.447 46.607 1. 00 34.88 C
ATOM 517 C GLN A 76 20.089 27.779 45.891 1. 00 33.13 C
ATOM 518 0 GLN A 76 19.041 28.408 46.038 1. 00 30.66 0
ATOM 519 CB GLN A 76 21.183 26.629 47.847 1. 00 34.23 C
ATOM 520 CG GLN A 76 20.528 27.479 48.934 1. 00 37.94 C
ATOM 521 CD GLN A 76 21.205 27.349 50.300 1. 00 41.19 C
ATOM 522 OE1 GLN A 76 22.289 26.769 50.425 1. 00 51.68 0
ATOM 523 NE2 GLN A 76 20.559 27.890 51.329 1. 00 44.48 N
ATOM 524 N LYS A 77 21.080 28.184 45.097 1. 00 33.14 N
ATOM 525 CA LYS A 77 21.040 29.452 44.391 1. 00 33.42 C
ATOM 526 C LYS A 77 20.010 29.465 43.265 1. 00 33.35 C
ATOM 527 0 LYS A 77 19.236 30.405 43.132 1. 00 33.38 0
ATOM 528 CB LYS A 77 22.433 29.788 43.833 1. 00 36.78 C
ATOM 529 N LYS A 78 19.997 28.404 42.472 1. 00 30.94 N
ATOM 530 CA LYS A 78 19.074 28.279 41.351 1. 00 31.78 C
ATOM 531 C LYS A 78 17.631 28.208 41.833 1. 00 29.28 C
ATOM 532 0 LYS A 78 16.707 28.598 41.128 1. 00 30.47 0
ATOM 533 CB LYS A 78 19.424 27.025 40.547 1. 00 32.10 C
ATOM 534 N ALA A 79 17.446 27.695 43.045 1. 00 29.09 N
ATOM 535 CA ALA A 79 16.122 27.544 43.615 1. 00 26.05 C
ATOM 536 C ALA A 79 15.632 28.826 44.290 1. 00 25.91 C
ATOM 537 0 ALA A 79 14.454 28.946 44.594 1. 00 24.71 0
ATOM 538 CB ALA A 79 16.116 26.426 44.578 1. 00 26.66 C
ATOM 539 N TRP A 80 16.528 29.782 44.521 1. 00 28.47 N
ATOM 540 CA TRP A 80 16.147 30.983 45.277 1. 00 28.02 C
ATOM 541 C TRP A 80 14.962 31.779 44.707 1. 00 26.77 C
ATOM 542 0 TRP A 80 14.071 32.137 45.466 1. 00 30.64 0
ATOM 543 CB TRP A 80 17.349 31.885 45.604 1. 00 30.72 C
ATOM 544 CG TRP A 80 16.950 33.109 46.394 1. 00 32.88 C
ATOM 545 CD1 TRP A 80 16.916 34.397 45.937 1. 00 32.64 C
ATOM 546 NE1 TRP A 80 16.475 35.239 46.934 1. 00 29.88 N
ATOM 547 CE2 TRP A 80 16.207 34.507 48.055 1. 00 29.41 C
ATOM 548 CD2 TRP A 80 16.489 33.156 47.757 1. 00 25.14 C
ATOM 549 CE3 TRP A 80 16.291 32.196 48.747 1. 00 28.30 C

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Figure IA-ll

Atom Type Residue # X Y Z Oee B Type

ATOM 550 CZ3 TRP A 80 15.815 32.605 49.997 1. 00 31.84 C
ATOM 551 CH2 TRP A 80 15.550 33.951 50.263 1. 00 36.03 C
ATOM 552 CZ2 TRP A 80 15.741 34.918 49.309 1. 00 35.20 C
ATOM 553 N PRO A 81 14.909 32.023 43.379 1. 00 27.86 N
ATOM 554 CA PRO A 81 13.716 32.655 42.822 1. 00 28.53 C
ATOM 555 C PRO A 81 12.387 31.981 43.172 1. 00 27.10 C
ATOM 556 0 PRO A 81 11.391 32.679 43.344 1. 00 28.87 0
ATOM 557 CB PRO A 81 13 . 955 32.558 41.308 1. 00 31.50 C
ATOM 558 CG PRO A 81 15.418 32.498 41.175 1. 00 29.26 C
ATOM 559 CD PRO A 81 15.902 31.739 42.328 1. 00 27.88 C
ATOM 560 N ASP A 82 12.373 30.648 43.254 1. 00 28.07 N
ATOM 561 CA ASP A 82 11.177 29.867 43.578 1. 00 26.95 C
ATOM 562 C ASP A 82 11.001 29.771 45.081 1. 00 24.78 C
ATOM 563 0 ASP A 82 9.913 29.541 45.573 1. 00 25.42 0
ATOM 564 CB ASP A 82 11.303 28.420 43.053 1. 00 31.71 C
ATOM 565 CG ASP A 82 11.199 28.309 41.531 1. 00 36.09 C
ATOM 566 OD1 ASP A 82 11.146 29.343 40.820 1. 00 32.44 0
ATOM 567 OD2 ASP A 82 11.198 27.155 41.052 1. 00 31.72 0
ATOM 568 N HIS A 83 12.097 29.889 45.813 1. 00 25.62 N
ATOM 569 CA HIS A 83 12.033 29.746 47.253 1. 00 23.97 C
ATOM 570 C HIS A 83 11.836 31.065 47.997 1. 00 23.71 C
ATOM 571 0 HIS A 83 11.281 31.084 49.087 1. 00 24.21 0
ATOM 572 CB HIS A 83 13.271 28.995 47.758 1. 00 25.22 C
ATOM 573 CG HIS A 83 13.229 28.699 49.216 1. 00 21.18 C
ATOM 574 ND1 HIS A 83 12.235 27.945 49.783 1. 00 20.78 N
ATOM 575 CE1 HIS A 83 12.432 27.863 51.087 1. 00 25.89 C
ATOM 576 NE2 HIS A 83 13.509 28.561 51.387 1. 00 21.77 N
ATOM 577 CD2 HIS A 83 14.019 29.114 50.238 1. 00 25.46 C
ATOM 578 N LYS A 84 12.249 32.164 47.376 1. 00 24.36 N
ATOM 579 CA LYS A 84 12.316 33.499 48.022 1. 00 26.93 C
ATOM 580 C LYS A 84 11.041 33.874 48.803 1. 00 25.90 C
ATOM 581 0 LYS A 84 11.107 34.208 49.985 1. 00 25.74 0
ATOM 582 CB LYS A 84 12.677 34.552 46.965 1. 00 23.77 C
ATOM 583 CG LYS A 84 12.871 35.957 47.488 1. 00 38.09 C
ATOM 584 N ARG A 85 9.890 33.747 48.145 1. 00 25.81 N
ATOM 585 CA ARG A 85 8.594 34.114 48.704 1. 00 28.32 C
ATOM 586 C ARG A 85 7.914 33.042 49.567 1. 00 32.15 C
ATOM 587 0 ARG A 85 6.963 33.357 50.290 1. 00 37.42 0
ATOM 588 CB ARG A 85 7.623 34.573 47.601 1. 00 30.19 C
ATOM 589 CG ARG A 85 8.117 35.696 46.673 1. 00 29.94 C
ATOM 590 CD ARG A 85 8.412 36.982 47.367 1. 00 35.23 C
ATOM 591 NE ARG A 85 7.224 37.616 47.942 1. 00 36.44 N
ATOM 592 CZ ARG A 85 6.329 38.308 47.255 1. 00 21.04 C
ATOM 593 NH1 ARG A 85 6.474 38.478 45.947 1. 00 29.94 N
ATOM 594 NH2 ARG A 85 5.297 38.874 47.885 1. 00 26.77 N
ATOM 595 N GLU A 86 8.385 31.792 49.536 1. 00 25.18 N
ATOM 596 CA GLU A 86 7.838 30.799 50.450 1. 00 24.16 C
ATOM 597 C GLU A 86 8.646 30.552 51.729 1. 00 22.46 C
ATOM 598 0 GLU A 86 8.138 29.969 52.666 1. 00 22.91 0
ATOM 599 CB GLU A 86 7.662 29.438 49.731 1. 00 27.28 C
ATOM 600 CG GLU A 86 8.965 28.879 49.180 1. 00 26.37 C
ATOM 601 CD GLU A 86 8.908 27.418 48.766 1. 00 21.17 C
ATOM 602 OE1 GLU A 86 7.812 26.884 48.459 1. 00 22.83 0
ATOM 603 OE2 GLU A 86 9.985 26.796 48.746 1. 00 25.03 0
ATOM 604 N CYS A 87 9.919 30.932 51.711 1. 00 23.24 N

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Figure IA-12

Atom Type Residue # X Y Z Oee B Type

ATOM 605 CA CYS A 87 10.815 30.796 52.843 1. 00 21.57 C
ATOM 606 C CYS A 87 10.186 31.166 54.224 1. 00 23.33 C
ATOM 607 0 CYS A 87 10.167 30.339 55.147 1. 00 26.98 0
ATOM 608 CB CYS A 87 12.099 31.574 52.563 1. 00 20.23 C
ATOM 609 SG CYS A 87 13.382 31.250 53.798 1. 00 25.64 S
ATOM 610 N LYS A 88 9.671 32.391 54.336 1. 00 26.97 N
ATOM 611 CA LYS A 88 9.086 32.907 55.567 1. 00 26.25 C
ATOM 612 C LYS A 88 7.818 32.177 55.981 1. 00 25.53 C
ATOM 613 0 LYS A 88 7.562 32.005 57.179 1. 00 26.05 0
ATOM 614 CB LYS A 88 8.780 34.393 55.419 1. 00 26.86 C
ATOM 615 CG LYS A 88 9.989 35.288 55.451 1. 00 39.68 C
ATOM 616 CD LYS A 88 9.554 36.751 55.483 1. 00 48.13 C
ATOM 617 CE LYS A 88 10.726 37.674 55.795 1. 00 53.47 C
ATOM 618 NZ LYS A 88 11.519 37.994 54.573 1. 00 57.75 N
ATOM 619 N CYS A 89 7.033 31.749 54.993 1. 00 26.25 N
ATOM 620 CA CYS A 89 5.791 30.962 55.233 1. 00 28.02 C
ATOM 621 C CYS A 89 6.029 29.551 55.776 1. 00 25.93 C
ATOM 622 0 CYS A 89 5.358 29.119 56.706 1. 00 29.33 0
ATOM 623 CB CYS A 89 4.950 30.853 53.974 1. 00 24.21 C
ATOM 624 SG CYS A 89 4.686 32.324 53.094 1. 00 31. 31 S
ATOM 625 N LEU A 90 6.994 28.858 55.183 1. 00 25.95 N
ATOM 626 CA LEU A 90 7.466 27.575 55.654 1. 00 25.13 C
ATOM 627 C LEU A 90 8.015 27.677 57.073 1. 00 26.90 C
ATOM 628 0 LEU A 90 7.679 26.874 57.932 1. 00 30.04 0
ATOM 629 CB LEU A 90 8.532 27.010 54.711 1. 00 24.96 C
ATOM 630 CG LEU A 90 8.056 26.481 53.343 1. 00 20.74 C
ATOM 631 CD1 LEU A 90 9.231 26.185 52.449 1. 00 27.73 C
ATOM 632 CD2 LEU A 90 7.143 25.267 53.486 1. 00 23.66 C
ATOM 633 N LYS A 91 8.841 28.694 57.296 1. 00 31.96 N
ATOM 634 CA LYS A 91 9.447 28.965 58.602 1. 00 33.77 C
ATOM 635 C LYS A 91 8.420 29.120 59.717 1. 00 36.28 C
ATOM 636 0 LYS A 91 8.576 28.528 60.779 1. 00 37.33 0
ATOM 637 CB LYS A 91 10.314 30.215 58.538 1. 00 31.75 C
ATOM 638 CG LYS A 91 11.289 30.326 59.719 1. 00 35.55 C
ATOM 639 CD LYS A 91 11.423 31.738 60.228 1. 00 26.50 C
ATOM 640 CE LYS A 91 12.240 32.608 59.317 1. 00 37.26 C
ATOM 641 NZ LYS A 91 12.074 34.059 59.643 1. 00 29.08 N
ATOM 642 N SER A 92 7.380 29.907 59.472 1. 00 39.09 N
ATOM 643 CA SER A 92 6.431 30.234 60.526 1. 00 45.09 C
ATOM 644 C SER A 92 5.632 29.020 60.983 1. 00 46.98 C
ATOM 645 0 SER A 92 5.284 28.909 62.165 1. 00 47.86 0
ATOM 646 CB SER A 92 5.507 31.379 60.109 1. 00 45.66 C
ATOM 647 OG SER A 92 4.745 31.041 58.968 1. 00 54.28 0
ATOM 648 N CYS A 93 5.381 28.095 60.061 1. 00 46.22 N
ATOM 649 CA CYS A 93 4.556 26.943 60.380 1. 00 46.64 C
ATOM 650 C CYS A 93 5.321 25.710 60.897 1. 00 46.67 C
ATOM 651 0 CYS A 93 4.696 24.807 61.444 1. 00 49.55 0
ATOM 652 CB CYS A 93 3.640 26.597 59.205 1. 00 46.21 C
ATOM 653 SG CYS A 93 4.452 25.767 57.856 1. 00 47.22 S
ATOM 654 N LYS A 94 6.648 25.676 60.743 1. 00 46.42 N
ATOM 655 CA LYS A 94 7.471 24.557 61.243 1. 00 49.29 C
ATOM 656 C LYS A 94 7.176 24.265 62.726 1. 00 50.95 C
ATOM 657 0 LYS A 94 7.189 25.196 63.538 1. 00 53.57 0
ATOM 658 CB LYS A 94 8.956 24.863 61.063 1. 00 47.66 C
ATOM 659 CG LYS A 94 9.858 23.660 61.285 1. 00 54.35 C

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Figure IA-13

Atom Type Residue # X Y Z Oee B Type

ATOM 660 CD LYS A 94 11.230 24.064 61.770 1. 00 62.76 C
ATOM 661 CE LYS A 94 12.066 24.626 60.651 1. 00 64.88 C
ATOM 662 NZ LYS A 94 13.027 25.623 61.184 1. 00 69.38 N
ATOM 663 N PRO A 95 6.913 22.984 63.096 1. 00 52.07 N
ATOM 664 CA PRO A 95 7.000 21.705 62.356 1. 00 52.39 C
ATOM 665 C PRO A 95 5.815 21.362 61.432 1. 00 50.54 C
ATOM 666 0 PRO A 95 5.927 20.422 60.638 1. 00 52.34 0
ATOM 667 CB PRO A 95 7.079 20.667 63.483 1. 00 53.02 C
ATOM 668 CG PRO A 95 6.225 21.257 64.561 1. 00 53.67 C
ATOM 669 CD PRO A 95 6.429 22.764 64.477 1. 00 52.56 C
ATOM 670 N ARG A 96 4.698 22.088 61.548 1. 00 47.32 N
ATOM 671 CA ARG A 96 3.555 21.909 60.635 1. 00 43.96 C
ATOM 672 C ARG A 96 3.943 22.289 59.202 1. 00 40.02 C
ATOM 673 0 ARG A 96 4.845 23.093 58.992 1. 00 41.75 0
ATOM 674 CB ARG A 96 2.348 22.728 61.104 1. 00 45.28 C
ATOM 675 N TYR A 97 3.280 21.687 58.224 1. 00 35.10 N
ATOM 676 CA TYR A 97 3.701 21.780 56.829 1. 00 30.17 C
ATOM 677 C TYR A 97 2.458 21.639 55.971 1. 00 25.97 C
ATOM 678 0 TYR A 97 1.624 20.788 56.234 1. 00 27.50 0
ATOM 679 CB TYR A 97 4.731 20.684 56.510 1. 00 27.97 C
ATOM 680 CG TYR A 97 5.289 20.671 55.099 1. 00 31.02 C
ATOM 681 CD1 TYR A 97 6.323 21.532 54.723 1. 00 34.67 C
ATOM 682 CE1 TYR A 97 6.846 21.513 53.408 1. 00 34.44 C
ATOM 683 CZ TYR A 97 6.343 20.601 52.482 1. 00 21. 43 C
ATOM 684 OH TYR A 97 6.836 20.576 51.215 1. 00 27.62 0
ATOM 685 CE2 TYR A 97 5.325 19.715 52.839 1. 00 29.93 C
ATOM 686 CD2 TYR A 97 4.811 19.745 54.141 1. 00 29.77 C
ATOM 687 N PRO A 98 2.314 22.502 54.949 1. 00 28.33 N
ATOM 688 CA PRO A 98 1.041 22.543 54.238 1. 00 25.89 C
ATOM 689 C PRO A 98 0.923 21. 354 53.270 1. 00 23.68 C
ATOM 690 0 PRO A 98 1.932 20.725 52.973 1. 00 22.52 0
ATOM 691 CB PRO A 98 1.125 23.858 53.479 1. 00 27.64 C
ATOM 692 CG PRO A 98 2.572 24.054 53.227 1. 00 31.57 C
ATOM 693 CD PRO A 98 3.295 23.456 54.394 1. 00 24.40 C
ATOM 694 N PRO A 99 -0.299 21.058 52.792 1. 00 24.95 N
ATOM 695 CA PRO A 99 -0.447 20.081 51.713 1. 00 24.63 C
ATOM 696 C PRO A 99 0.381 20.500 50.497 1. 00 22.28 C
ATOM 697 0 PRO A 99 0.646 21.715 50.289 1. 00 20.27 0
ATOM 698 CB PRO A 99 -1.954 20.117 51.416 1. 00 26.94 C
ATOM 699 CG PRO A 99 -2.577 20.594 52.749 1. 00 22.84 C
ATOM 700 CD PRO A 99 -1.605 21.600 53.232 1. 00 23.10 C
ATOM 701 N ASP A 100 0.788 19.512 49.699 1. 00 19.60 N
ATOM 702 CA ASP A 100 1.651 19.753 48.535 1. 00 19.37 C
ATOM 703 C ASP A 100 1.051 20.772 47.585 1. 00 18.09 C
ATOM 704 0 ASP A 100 1.759 21.642 47.073 1. 00 19.90 0
ATOM 705 CB ASP A 100 1.960 18.460 47.739 1. 00 18.95 C
ATOM 706 CG ASP A 100 2.836 17.460 48.502 1. 00 20.92 C
ATOM 707 OD1 ASP A 100 3.419 17.788 49.543 1. 00 25.81 0
ATOM 708 OD2 ASP A 100 2.931 16.307 48.038 1. 00 24.27 0
ATOM 709 N SER A 101 -0.253 20.659 47.361 1. 00 18.76 N
ATOM 710 CA SER A 101 -0.979 21.544 46.473 1. 00 18.30 C
ATOM 711 C SER A 101 -0.894 23.030 46.891 1. 00 17.04 C
ATOM 712 0 SER A 101 -0.855 23.899 46.036 1. 00 16.65 0
ATOM 713 CB SER A 101 -2.446 21.065 46.346 1. 00 19.19 C
ATOM 714 OG SER A 101 -3.140 21.161 47.578 1. 00 21. 29 0

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Figure IA-14

Atom Type Residue # X Y Z Oee B Type

ATOM 715 N VAL A 102 -0.860 23.274 48.202 1. 00 17.83 N
ATOM 716 CA VAL A 102 -0.783 24.601 48.801 1. 00 20.98 C
ATOM 717 C VAL A 102 0.594 25.186 48.545 1. 00 15.94 C
ATOM 718 0 VAL A 102 0.692 26.265 48.018 1. 00 16.40 0
ATOM 719 CB VAL A 102 -1.138 24.569 50.363 1. 00 21. 41 C
ATOM 720 CG1 VAL A 102 -0.752 25.840 51.047 1. 00 17.54 C
ATOM 721 CG2 VAL A 102 -2.609 24.281 50.565 1. 00 22.54 C
ATOM 722 N ARG A 103 1.646 24.430 48.875 1. 00 17.76 N
ATOM 723 CA ARG A 103 3.007 24.786 48.538 1. 00 17.57 C
ATOM 724 C ARG A 103 3.202 25.019 47.028 1. 00 15.66 C
ATOM 725 0 ARG A 103 3.831 26.019 46.628 1. 00 16.10 0
ATOM 726 CB ARG A 103 4.046 23.786 49.109 1. 00 16.76 C
ATOM 727 CG ARG A 103 5.465 24.429 49.131 1. 00 19.66 C
ATOM 728 CD ARG A 103 6.526 23.579 49.746 1. 00 22.91 C
ATOM 729 NE ARG A 103 7.855 24.116 49.449 1. 00 23.47 N
ATOM 730 CZ ARG A 103 9.001 23.508 49.784 1. 00 15.35 C
ATOM 731 NH1 ARG A 103 8.989 22.349 50.431 1. 00 28.70 N
ATOM 732 NH2 ARG A 103 10.167 24.063 49.458 1. 00 18.22 N
ATOM 733 N LEU A 104 2.615 24.142 46.211 1. 00 17.32 N
ATOM 734 CA LEU A 104 2.662 24.274 44.748 1. 00 15.81 C
ATOM 735 C LEU A 104 2.021 25.594 44.277 1. 00 15.75 C
ATOM 736 0 LEU A 104 2.634 26.363 43.533 1. 00 18.00 0
ATOM 737 CB LEU A 104 1.980 23.069 44.089 1. 00 14.68 C
ATOM 738 CG LEU A 104 1.919 23.072 42.550 1. 00 18.33 C
ATOM 739 CD1 LEU A 104 3.301 23.050 41.928 1. 00 13.98 C
ATOM 740 CD2 LEU A 104 1.028 21.953 42.016 1. 00 20.24 C
ATOM 741 N LEU A 105 0.780 25.859 44.703 1. 00 18.13 N
ATOM 742 CA LEU A 105 0.080 27.054 44.264 1. 00 17.72 C
ATOM 743 C LEU A 105 0.728 28.327 44.820 1. 00 18.92 C
ATOM 744 0 LEU A 105 0.669 29.364 44.170 1. 00 19.61 0
ATOM 745 CB LEU A 105 -1.411 27.023 44.603 1. 00 21.79 C
ATOM 746 CG LEU A 105 -2.301 26.240 43.632 1. 00 23.42 C
ATOM 747 CD1 LEU A 105 -3.752 26.153 44.144 1. 00 19.31 C
ATOM 748 CD2 LEU A 105 -2.243 26.796 42.204 1. 00 21. 48 C
ATOM 749 N GLY A 106 1.313 28.219 46.014 1. 00 18.55 N
ATOM 750 CA GLY A 106 2.172 29.249 46.588 1. 00 21.73 C
ATOM 751 C GLY A 106 3.242 29.730 45.630 1. 00 19.84 C
ATOM 752 0 GLY A 106 3.449 30.914 45.501 1. 00 23.26 0
ATOM 753 N ARG A 107 3.932 28.798 44.973 1. 00 18.38 N
ATOM 754 CA ARG A 107 4.836 29.122 43.875 1. 00 19.54 C
ATOM 755 C ARG A 107 4.160 29.671 42.614 1. 00 19.61 C
ATOM 756 0 ARG A 107 4.633 30.663 42.041 1. 00 21.83 0
ATOM 757 CB ARG A 107 5.734 27.911 43.540 1. 00 19.53 C
ATOM 758 CG ARG A 107 6.771 27.630 44.646 1. 00 24.29 C
ATOM 759 CD ARG A 107 7.272 26.169 44.685 1. 00 17.81 C
ATOM 760 NE ARG A 107 8.412 26.018 45.577 1. 00 21.64 N
ATOM 761 CZ ARG A 107 9.621 25.584 45.226 1. 00 21.54 C
ATOM 762 NH1 ARG A 107 9.889 25.184 43.976 1. 00 23.19 N
ATOM 763 NH2 ARG A 107 10.572 25.543 46.145 1. 00 21. 26 N
ATOM 764 N VAL A 108 3.073 29.030 42.181 1. 00 16.88 N
ATOM 765 CA VAL A 108 2.427 29.380 40.944 1. 00 19.73 C
ATOM 766 C VAL A 108 2.054 30.878 40.886 1. 00 18.78 C
ATOM 767 0 VAL A 108 2.261 31.510 39.871 1. 00 19.08 0
ATOM 768 CB VAL A 108 1.152 28.539 40.688 1. 00 17.15 C
ATOM 769 CG1 VAL A 108 0.278 29.166 39.586 1. 00 20.21 C

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Figure lA-IS

Atom Type Residue # X Y Z Oee B Type

ATOM 770 CG2 VAL A 108 1.513 27.090 40.328 1. 00 21.53 C
ATOM 771 N VAL A 109 1.491 31.402 41.971 1. 00 21. 40 N
ATOM 772 CA VAL A 109 0.858 32.721 41.946 1. 00 20.03 C
ATOM 773 C VAL A 109 1.847 33.829 41.596 1. 00 21. 47 C
ATOM 774 0 VAL A 109 1. 466 34.789 40.954 1. 00 23.32 0
ATOM 775 CB VAL A 109 0.067 33.054 43.281 1. 00 21.17 C
ATOM 776 CG1 VAL A 109 -1.115 32.125 43.478 1. 00 23.36 C
ATOM 777 CG2 VAL A 109 0.931 32.995 44.488 1. 00 19.46 C
ATOM 778 N PHE A 110 3.100 33.684 42.024 1. 00 21. 31 N
ATOM 779 CA PHE A 110 4.142 34.667 41.741 1. 00 24.62 C
ATOM 780 C PHE A 110 4.744 34.437 40.380 1. 00 21.70 C
ATOM 781 0 PHE A 110 5.139 35.371 39.728 1. 00 18.80 0
ATOM 782 CB PHE A 110 5.218 34.670 42.824 1. 00 23.77 C
ATOM 783 CG PHE A 110 4.683 34.933 44.209 1. 00 26.92 C
ATOM 784 CD1 PHE A 110 4.148 36.166 44.547 1. 00 26.74 C
ATOM 785 CE1 PHE A 110 3.643 36.399 45.816 1. 00 22.06 C
ATOM 786 CZ PHE A 110 3.693 35.439 46.763 1. 00 24.92 C
ATOM 787 CE2 PHE A 110 4.224 34.186 46.450 1. 00 26.03 C
ATOM 788 CD2 PHE A 110 4.716 33.945 45.176 1. 00 28.31 C
ATOM 789 N LYS A 111 4.779 33.178 39.936 1. 00 18.58 N
ATOM 790 CA LYS A 111 5.176 32.855 38.588 1. 00 16.77 C
ATOM 791 C LYS A 111 4.303 33.527 37.538 1. 00 20.57 C
ATOM 792 0 LYS A 111 4.793 33.999 36.490 1. 00 21. 37 0
ATOM 793 CB LYS A 111 5.147 31.308 38.444 1. 00 20.55 C
ATOM 794 CG LYS A 111 5.622 30.821 37.153 1. 00 32.00 C
ATOM 795 CD LYS A 111 7.136 30.888 37.039 1. 00 40.49 C
ATOM 796 CE LYS A 111 7.560 30.365 35.693 1. 00 36.34 C
ATOM 797 NZ LYS A 111 8.830 29.599 35.837 1. 00 54.03 N
ATOM 798 N LEU A 112 2.998 33.564 37.811 1. 00 22.40 N
ATOM 799 CA LEU A 112 2.003 34.112 36.904 1. 00 19.05 C
ATOM 800 C LEU A 112 2.166 35.594 36.664 1. 00 22.16 C
ATOM 801 0 LEU A 112 1.577 36.132 35.762 1. 00 22.58 0
ATOM 802 CB LEU A 112 0.606 33.865 37.459 1. 00 19.80 C
ATOM 803 CG LEU A 112 0.180 32.397 37.544 1. 00 17.77 C
ATOM 804 CD1 LEU A 112 -1.148 32.215 38.265 1. 00 15.02 C
ATOM 805 CD2 LEU A 112 0.160 31.837 36.119 1. 00 19.43 C
ATOM 806 N MET A 113 2.937 36.252 37.520 1. 00 24.57 N
ATOM 807 CA MET A 113 3.160 37.686 37.392 1. 00 24.84 C
ATOM 808 C MET A 113 4.391 38.036 36.543 1. 00 27.59 C
ATOM 809 0 MET A 113 4.559 39.183 36.153 1. 00 31. 21 0
ATOM 810 CB MET A 113 3.290 38.312 38.758 1. 00 23.50 C
ATOM 811 CG MET A 113 2.099 38.080 39.634 1. 00 21.86 C
ATOM 812 SD MET A 113 2.251 39.177 41.047 1. 00 33.75 S
ATOM 813 CE MET A 113 2.274 38.088 42.422 1. 00 22.87 C
ATOM 814 N ASP A 114 5.245 37.051 36.265 1. 00 32.04 N
ATOM 815 CA ASP A 114 6.380 37.256 35.352 1. 00 33.62 C
ATOM 816 C ASP A 114 5.851 37.653 33.968 1. 00 34.86 C
ATOM 817 0 ASP A 114 4.933 37.013 33.434 1. 00 34.85 0
ATOM 818 CB ASP A 114 7.242 35.979 35.288 1. 00 34.26 C
ATOM 819 N GLY A 115 6.393 38.738 33.408 1. 00 38.28 N
ATOM 820 CA GLY A 115 5.978 39.223 32.086 1. 00 42.91 C
ATOM 821 C GLY A 115 6.574 38.454 30.912 1. 00 47.13 C
ATOM 822 0 GLY A 115 6.006 38.450 29.812 1. 00 48.55 0
ATOM 823 N ALA A 116 7.720 37.812 31.140 1. 00 49.16 N
ATOM 824 CA ALA A 116 8.317 36.903 30.151 1. 00 51.77 C

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Figure IA-16

Atom Type Residue # X Y Z Oee B Type

ATOM 825 C ALA A 116 7.495 35.602 30.059 1. 00 52.57 C
ATOM 826 0 ALA A 116 7.306 34.922 31.074 1. 00 52.77 0
ATOM 827 CB ALA A 116 9.768 36.603 30.517 1. 00 51.53 C
ATOM 828 N PRO A 117 6.975 35.273 28.852 1. 00 53.42 N
ATOM 829 CA PRO A 117 6.168 34.042 28.666 1. 00 51.95 C
ATOM 830 C PRO A 117 6.914 32.770 29.101 1. 00 48.51 C
ATOM 831 0 PRO A 117 8.101 32.622 28.786 1. 00 49.92 0
ATOM 832 CB PRO A 117 5.894 34.016 27.153 1. 00 52.09 C
ATOM 833 CG PRO A 117 6.031 35.455 26.708 1. 00 55.15 C
ATOM 834 CD PRO A 117 7.095 36.054 27.601 1. 00 53.79 C
ATOM 835 N SER A 118 6.231 31.890 29.840 1. 00 43.19 N
ATOM 836 CA SER A 118 6.811 30.615 30.275 1. 00 36.15 C
ATOM 837 C SER A 118 6.765 29.662 29.097 1. 00 33.04 C
ATOM 838 0 SER A 118 5.728 29.535 28.443 1. 00 29.97 0
ATOM 839 CB SER A 118 6.059 29.999 31.489 1. 00 37.80 C
ATOM 840 OG SER A 118 6.622 28.724 31.878 1. 00 28.70 0
ATOM 841 N GLU A 119 7.891 29.002 28.833 1. 00 30.18 N
ATOM 842 CA GLU A 119 7.972 27.979 27.792 1. 00 29.64 C
ATOM 843 C GLU A 119 6.960 26.857 28.065 1. 00 27.75 C
ATOM 844 0 GLU A 119 6.374 26.289 27.128 1. 00 27.57 0
ATOM 845 CB GLU A 119 9.403 27.425 27.709 1. 00 30.41 C
ATOM 846 N SER A 120 6.726 26.587 29.350 1. 00 23.46 N
ATOM 847 CA SER A 120 5.809 25.519 29.782 1. 00 23.56 C
ATOM 848 C SER A 120 4.368 25.791 29.331 1. 00 22.67 C
ATOM 849 0 SER A 120 3.544 24.889 29.317 1. 00 20.36 0
ATOM 850 CB SER A 120 5.861 25.342 31.318 1. 00 24.17 C
ATOM 851 OG SER A 120 5.104 26.350 31.989 1. 00 21. 37 0
ATOM 852 N GLU A 121 4.099 27.042 28.953 1. 00 20.89 N
ATOM 853 CA GLU A 121 2.762 27.505 28.578 1. 00 23.48 C
ATOM 854 C GLU A 121 2.621 27.769 27.078 1. 00 21. 48 C
ATOM 855 0 GLU A 121 1.644 28.361 26.651 1. 00 23.03 0
ATOM 856 CB GLU A 121 2.376 28.761 29.397 1. 00 23.79 C
ATOM 857 CG GLU A 121 2.241 28.449 30.865 1. 00 21.06 C
ATOM 858 CD GLU A 121 1.834 29.645 31.706 1. 00 24.11 C
ATOM 859 OE1 GLU A 121 2.584 30.632 31.751 1. 00 27.39 0
ATOM 860 OE2 GLU A 121 0.785 29.587 32.359 1. 00 24.58 0
ATOM 861 N LYS A 122 3.577 27.305 26.280 1. 00 22.46 N
ATOM 862 CA LYS A 122 3.559 27.572 24.843 1. 00 24.97 C
ATOM 863 C LYS A 122 2.253 27.143 24.178 1. 00 24.17 C
ATOM 864 0 LYS A 122 1.726 27.871 23.361 1. 00 26.47 0
ATOM 865 CB LYS A 122 4.747 26.922 24.131 1. 00 27.76 C
ATOM 866 CG LYS A 122 4.669 26.997 22.610 1. 00 34.88 C
ATOM 867 CD LYS A 122 6.013 26.683 21.979 1. 00 48.36 C
ATOM 868 CE LYS A 122 6.106 27.271 20.573 1. 00 56.22 C
ATOM 869 NZ LYS A 122 7.521 27.359 20.096 1. 00 61.95 N
ATOM 870 N LEU A 123 1.727 25.970 24.540 1. 00 23.63 N
ATOM 871 CA LEU A 123 0.514 25.449 23.886 1. 00 22.31 C
ATOM 872 C LEU A 123 -0.779 25.756 24.651 1. 00 21.73 C
ATOM 873 0 LEU A 123 -1.858 25.799 24.068 1. 00 22.71 0
ATOM 874 CB LEU A 123 0.647 23.919 23.658 1. 00 20.09 C
ATOM 875 CG LEU A 123 1.901 23.420 22.906 1. 00 22.90 C
ATOM 876 CD1 LEU A 123 1.842 21.961 22.791 1. 00 22.39 C
ATOM 877 CD2 LEU A 123 2.010 24.032 21.529 1. 00 29.95 C
ATOM 878 N TYR A 124 -0.652 25.955 25.962 1. 00 23.10 N
ATOM 879 CA TYR A 124 -1.795 26.022 26.882 1. 00 21. 45 C

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Figure IA-17

Atom Type Residue # X Y Z Oee B Type

ATOM 880 C TYR A 124 -1.270 26.647 28.154 1. 00 20.61 C
ATOM 881 0 TYR A 124 -0.178 26.296 28.603 1. 00 22.45 0
ATOM 882 CB TYR A 124 -2.274 24.613 27.214 1. 00 20.58 C
ATOM 883 CG TYR A 124 -3.768 24.390 27.398 1. 00 21.13 C
ATOM 884 CD1 TYR A 124 -4.701 24.886 26.467 1. 00 15.03 C
ATOM 885 CE1 TYR A 124 -6.033 24.625 26.607 1. 00 19.71 C
ATOM 886 CZ TYR A 124 -6.464 23.842 27.654 1. 00 20.91 C
ATOM 887 OH TYR A 124 -7.790 23.581 27.781 1. 00 21.53 0
ATOM 888 CE2 TYR A 124 -5.571 23.325 28.592 1. 00 20.41 C
ATOM 889 CD2 TYR A 124 -4.231 23.591 28.445 1. 00 16.23 C
ATOM 890 N SER A 125 -2.037 27.561 28.743 1. 00 21.68 N
ATOM 891 CA SER A 125 -1.574 28.314 29.900 1. 00 20.51 C
ATOM 892 C SER A 125 -2.226 27.833 31.203 1. 00 19.46 C
ATOM 893 0 SER A 125 -3.197 27.114 31.162 1. 00 17.97 0
ATOM 894 CB SER A 125 -1.864 29.802 29.692 1. 00 21.09 C
ATOM 895 OG SER A 125 -3.213 30.061 30.033 1. 00 25.40 0
ATOM 896 N PHE A 126 -1.720 28.295 32.357 1. 00 20.40 N
ATOM 897 CA PHE A 126 -2.380 28.040 33.617 1. 00 20.06 C
ATOM 898 C PHE A 126 -3.863 28.399 33.521 1. 00 20.07 C
ATOM 899 0 PHE A 126 -4.708 27.684 34.013 1. 00 18.86 0
ATOM 900 CB PHE A 126 -1.750 28.863 34.752 1. 00 20.21 C
ATOM 901 CG PHE A 126 -2.485 28.731 36.047 1. 00 18.49 C
ATOM 902 CD1 PHE A 126 -2.321 27.605 36.836 1. 00 18.19 C
ATOM 903 CE1 PHE A 126 -3.032 27.464 38.032 1. 00 18.35 C
ATOM 904 CZ PHE A 126 -3.940 28.433 38.412 1. 00 17.99 C
ATOM 905 CE2 PHE A 126 -4.156 29.538 37.602 1. 00 14.33 C
ATOM 906 CD2 PHE A 126 -3.437 29.694 36.434 1. 00 21.18 C
ATOM 907 N TYR A 127 -4.162 29.544 32.912 1. 00 18.82 N
ATOM 908 CA TYR A 127 -5.532 30.021 32.858 1. 00 22.31 C
ATOM 909 C TYR A 127 -6.445 29.190 31.942 1. 00 21.62 C
ATOM 910 0 TYR A 127 -7.663 29.183 32.131 1. 00 24.31 0
ATOM 911 CB TYR A 127 -5.566 31.505 32.478 1. 00 21.66 C
ATOM 912 CG TYR A 127 -4.945 32.422 33.541 1. 00 22.53 C
ATOM 913 CD1 TYR A 127 -5.646 32.772 34.698 1. 00 22.11 C
ATOM 914 CE1 TYR A 127 -5.074 33.588 35.666 1. 00 17.09 C
ATOM 915 CZ TYR A 127 -3.774 34.057 35.480 1. 00 18.90 C
ATOM 916 OH TYR A 127 -3.163 34.881 36.400 1. 00 22.55 0
ATOM 917 CE2 TYR A 127 -3.061 33.693 34.357 1. 00 21. 33 C
ATOM 918 CD2 TYR A 127 -3.650 32.888 33.399 1. 00 22.05 C
ATOM 919 N ASP A 128 -5.861 28.504 30.966 1. 00 21.77 N
ATOM 920 CA ASP A 128 -6.616 27.590 30.096 1. 00 22.29 C
ATOM 921 C ASP A 128 -6.989 26.296 30.821 1. 00 21.80 C
ATOM 922 0 ASP A 128 -7.923 25.634 30.433 1. 00 21. 39 0
ATOM 923 CB ASP A 128 -5.820 27.236 28.833 1. 00 23.51 C
ATOM 924 CG ASP A 128 -5.565 28.432 27.911 1. 00 22.85 C
ATOM 925 OD1 ASP A 128 -6.463 29.232 27.683 1. 00 25.64 0
ATOM 926 OD2 ASP A 128 -4.450 28.561 27.368 1. 00 21.96 0
ATOM 927 N LEU A 129 -6.259 25.936 31.875 1. 00 20.66 N
ATOM 928 CA LEU A 129 -6.498 24.652 32.565 1. 00 21.71 C
ATOM 929 C LEU A 129 -7.950 24.416 32.947 1. 00 23.88 C
ATOM 930 0 LEU A 129 -8.648 25.319 33.450 1. 00 24.76 0
ATOM 931 CB LEU A 129 -5.595 24.501 33.778 1. 00 20.16 C
ATOM 932 CG LEU A 129 -4.105 24.499 33.466 1. 00 17.55 C
ATOM 933 CD1 LEU A 129 -3.321 24.371 34.759 1. 00 16.72 C
ATOM 934 CD2 LEU A 129 -3.722 23.404 32.411 1. 00 15.22 C

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Figure IA-18

Atom Type Residue # X Y Z Oee B Type

ATOM 935 N GLU A 130 -8.403 23.202 32.661 1. 00 22.34 N
ATOM 936 CA GLU A 130 -9.751 22.775 32.977 1. 00 21.68 C
ATOM 937 C GLU A 130 -9.894 22.651 34.490 1. 00 21.60 C
ATOM 938 0 GLU A 130 -9.058 22.024 35.150 1. 00 22.19 0
ATOM 939 CB GLU A 130 -9.999 21.408 32.317 1. 00 21.69 C
ATOM 940 CG GLU A 130 -11.381 20.801 32.627 1. 00 27.24 C
ATOM 941 CD GLU A 130 -12.512 21.659 32.090 1. 00 27.99 C
ATOM 942 OE1 GLU A 130 -12.622 21.778 30.850 1. 00 41.66 0
ATOM 943 OE2 GLU A 130 -13.273 22.229 32.910 1. 00 31.05 0
ATOM 944 N SER A 131 -10.981 23.188 35.042 1. 00 21.56 N
ATOM 945 CA SER A 131 -11.218 23.091 36.482 1. 00 22.08 C
ATOM 946 C SER A 131 -12.354 22.145 36.859 1. 00 21. 38 C
ATOM 947 0 SER A 131 -12.480 21.762 38.025 1. 00 22.99 0
ATOM 948 CB SER A 131 -11.507 24.465 37.054 1. 00 21.55 C
ATOM 949 OG SER A 131 -12.717 24.945 36.546 1. 00 24.75 0
ATOM 950 N ASN A 132 -13.164 21.776 35.874 1. 00 24.32 N
ATOM 951 CA ASN A 132 -14.366 20.945 36.087 1. 00 26.66 C
ATOM 952 C ASN A 132 -15.282 21.460 37.222 1. 00 24.81 C
ATOM 953 0 ASN A 132 -15.909 20.669 37.929 1. 00 24.20 0
ATOM 954 CB ASN A 132 -13.962 19.454 36.290 1. 00 25.55 C
ATOM 955 CG ASN A 132 -13.432 18.805 35.008 1. 00 25.26 C
ATOM 956 OD1 ASN A 132 -12.407 18.132 35.018 1. 00 26.44 0
ATOM 957 ND2 ASN A 132 -14.114 19.027 33.905 1. 00 27.89 N
ATOM 958 N ILE A 133 -15.327 22.785 37.410 1. 00 29.00 N
ATOM 959 CA ILE A 133 -16.084 23.392 38.540 1. 00 32.29 C
ATOM 960 C ILE A 133 -17.548 22.950 38.547 1. 00 28.17 C
ATOM 961 0 ILE A 133 -18.063 22.573 39.590 1. 00 28.86 0
ATOM 962 CB ILE A 133 -16.037 24.981 38.608 1. 00 30.69 C
ATOM 963 CG1 ILE A 133 -16.013 25.599 37.208 1. 00 39.82 C
ATOM 964 CD1 ILE A 133 -16.658 27.001 37.117 1. 00 38.31 C
ATOM 965 CG2 ILE A 133 -14.880 25.465 39.482 1. 00 37.25 C
ATOM 966 N ASN A 134 -18.187 22.979 37.375 1. 00 30.05 N
ATOM 967 CA ASN A 134 -19.588 22.542 37.226 1. 00 32.00 C
ATOM 968 C ASN A 134 -19.813 21.039 37.390 1. 00 32.67 C
ATOM 969 0 ASN A 134 -20.959 20.598 37.447 1. 00 35.49 0
ATOM 970 CB ASN A 134 -20.176 23.017 35.893 1. 00 33.46 C
ATOM 971 N LYS A 135 -18.733 20.255 37.497 1. 00 31.61 N
ATOM 972 CA LYS A 135 -18.842 18.801 37.662 1. 00 28.91 C
ATOM 973 C LYS A 135 -18.525 18.288 39.047 1. 00 28.95 C
ATOM 974 0 LYS A 135 -18.851 17.133 39.376 1. 00 29.87 0
ATOM 975 CB LYS A 135 -17.993 18.085 36.618 1. 00 30.26 C
ATOM 976 CG LYS A 135 -18.512 18.309 35.219 1. 00 28.90 C
ATOM 977 CD LYS A 135 -17.610 17.754 34.157 1. 00 34.53 C
ATOM 978 CE LYS A 135 -18.306 17.900 32.814 1. 00 43.26 C
ATOM 979 NZ LYS A 135 -17.554 17.224 31.736 1. 00 47.95 N
ATOM 980 N LEU A 136 -17.953 19.143 39.894 1. 00 27.61 N
ATOM 981 CA LEU A 136 -17.502 18.693 41.206 1. 00 28.18 C
ATOM 982 C LEU A 136 -18.653 18.324 42.098 1. 00 30.07 C
ATOM 983 0 LEU A 136 -19.692 18.960 42.044 1. 00 27.49 0
ATOM 984 CB LEU A 136 -16.677 19.763 41.928 1. 00 30.03 C
ATOM 985 CG LEU A 136 -15.504 20.357 41.172 1. 00 33.01 C
ATOM 986 CD1 LEU A 136 -14.967 21.587 41.935 1. 00 35.29 C
ATOM 987 CD2 LEU A 136 -14.443 19.299 40.931 1. 00 23.30 C
ATOM 988 N THR A 137 -18.434 17.295 42.923 1. 00 30.67 N
ATOM 989 CA THR A 137 -19.342 16.931 43.997 1. 00 30.22 C

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Figure IA-19

Atom Type Residue # X Y Z Oee B Type

ATOM 990 C THR A 137 -19.262 17.944 45.148 1. 00 32.34 C
ATOM 991 0 THR A 137 -18.312 18.739 45.251 1. 00 28.42 0
ATOM 992 CB THR A 137 -19.059 15.513 44.526 1. 00 31.05 C
ATOM 993 OG1 THR A 137 -17.832 15.501 45.258 1. 00 31. 33 0
ATOM 994 CG2 THR A 137 -18.962 14.525 43.393 1. 00 32.85 C
ATOM 995 N GLU A 138 -20.270 17.915 46.020 1. 00 32.76 N
ATOM 996 CA GLU A 138 -20.308 18.842 47.133 1. 00 31. 39 C
ATOM 997 C GLU A 138 -19.182 18.547 48.122 1. 00 30.88 C
ATOM 998 0 GLU A 138 -18.598 19.464 48.725 1. 00 31.82 0
ATOM 999 CB GLU A 138 -21.678 18.815 47.810 1. 00 33.85 C
ATOM 1000 N ASP A 139 -18.871 17.267 48.288 1. 00 31. 44 N
ATOM 1001 CA ASP A 139 -17.823 16.869 49.206 1. 00 28.07 C
ATOM 1002 C ASP A 139 -16.463 17.382 48.716 1. 00 27.29 C
ATOM 1003 0 ASP A 139 -15.631 17.825 49.510 1. 00 25.73 0
ATOM 1004 CB ASP A 139 -17.793 15.349 49.343 1. 00 31.98 C
ATOM 1005 N LYS A 140 -16.238 17.282 47.413 1. 00 25.99 N
ATOM 1006 CA LYS A 140 -15.035 17.822 46.812 1. 00 26.71 C
ATOM 1007 C LYS A 140 -14.937 19.368 46.946 1. 00 26.91 C
ATOM 1008 0 LYS A 140 -13.891 19.893 47.299 1. 00 29.52 0
ATOM 1009 CB LYS A 140 -14.928 17.392 45.348 1. 00 27.87 C
ATOM 1010 CG LYS A 140 -13.605 17.821 44.673 1. 00 31.00 C
ATOM 1011 CD LYS A 140 -12.361 17.383 45.481 1. 00 49.68 C
ATOM 1012 CE LYS A 140 -11.765 16.063 44.972 1. 00 54.38 C
ATOM 1013 NZ LYS A 140 -12.624 14.885 45.279 1. 00 61.92 N
ATOM 1014 N LYS A 141 -16.024 20.077 46.665 1. 00 27.96 N
ATOM 1015 CA LYS A 141 -16.045 21.547 46.790 1. 00 28.17 C
ATOM 1016 C LYS A 141 -15.770 21.949 48.228 1. 00 27.83 C
ATOM 1017 0 LYS A 141 -15.084 22.927 48.479 1. 00 29.24 0
ATOM 1018 CB LYS A 141 -17.361 22.129 46.294 1. 00 27.81 C
ATOM 1019 CG LYS A 141 -17.505 22.079 44.815 1. 00 28.83 C
ATOM 1020 CD LYS A 141 -18.733 22.799 44.358 1. 00 39.22 C
ATOM 1021 CE LYS A 141 -19.936 21.888 44.336 1. 00 43.90 C
ATOM 1022 NZ LYS A 141 -21.080 22.584 43.675 1. 00 50.14 N
ATOM 1023 N GLU A 142 -16.244 21.145 49.176 1. 00 29.62 N
ATOM 1024 CA GLU A 142 -15.917 21.382 50.570 1. 00 30.44 C
ATOM 1025 C GLU A 142 -14.415 21.236 50.849 1. 00 29.48 C
ATOM 1026 0 GLU A 142 -13.840 22.071 51.537 1. 00 30.57 0
ATOM 1027 CB GLU A 142 -16.763 20.498 51.502 1. 00 30.72 C
ATOM 1028 CG GLU A 142 -16.491 20.709 52.984 1. 00 34.13 C
ATOM 1029 N GLY A 143 -13.792 20.177 50.331 1. 00 31.98 N
ATOM 1030 CA GLY A 143 -12.342 19.978 50.480 1. 00 30.89 C
ATOM 1031 C GLY A 143 -11.525 21.103 49.848 1. 00 29.75 C
ATOM 1032 0 GLY A 143 -10.487 21.502 50.378 1. 00 30.85 0
ATOM 1033 N LEU A 144 -12.007 21.618 48.724 1. 00 28.40 N
ATOM 1034 CA LEU A 144 -11.369 22.755 48.054 1. 00 27.77 C
ATOM 1035 C LEU A 144 -11.409 24.007 48.913 1. 00 27.97 C
ATOM 1036 0 LEU A 144 -10.428 24.712 49.031 1. 00 26.44 0
ATOM 1037 CB LEU A 144 -12.014 23.027 46.698 1. 00 28.77 C
ATOM 1038 CG LEU A 144 -11.772 22.049 45.561 1. 00 26.09 C
ATOM 1039 CD1 LEU A 144 -12.538 22.481 44.356 1. 00 31.86 C
ATOM 1040 CD2 LEU A 144 -10.288 21.855 45.231 1. 00 41.16 C
ATOM 1041 N ARG A 145 -12.564 24.268 49.525 1. 00 30.16 N
ATOM 1042 CA ARG A 145 -12.731 25.398 50.426 1. 00 29.67 C
ATOM 1043 C ARG A 145 -11.840 25.255 51.664 1. 00 27.56 C
ATOM 1044 0 ARG A 145 -11.345 26.229 52.169 1. 00 26.35 0

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Figure IA-20

Atom Type Residue # X Y Z Oee B Type

ATOM 1045 CB ARG A 145 -14.198 25.530 50.830 1. 00 31.61 C
ATOM 1046 CG ARG A 145 -15.100 26.053 49.715 1. 00 39.00 C
ATOM 1047 CD ARG A 145 -16.467 26.474 50.251 1. 00 51.60 C
ATOM 1048 NE ARG A 145 -17.195 25.344 50.826 1. 00 56.59 N
ATOM 1049 CZ ARG A 145 -18.071 24.592 50.162 1. 00 57.10 C
ATOM 1050 NH1 ARG A 145 -18.352 24.846 48.886 1. 00 55.14 N
ATOM 1051 NH2 ARG A 145 -18.672 23.586 50.781 1. 00 55.66 N
ATOM 1052 N GLN A 146 -11.625 24.032 52.138 1. 00 30.20 N
ATOM 1053 CA GLN A 146 -10.640 23.790 53.185 1. 00 30.46 C
ATOM 1054 C GLN A 146 -9.209 24.148 52.722 1. 00 30.14 C
ATOM 1055 0 GLN A 146 -8.495 24.865 53.428 1. 00 32.08 0
ATOM 1056 CB GLN A 146 -10.715 22.347 53.690 1. 00 32.90 C
ATOM 1057 CG GLN A 146 -12.027 22.001 54.403 1. 00 44.50 C
ATOM 1058 CD GLN A 146 -12.317 22.916 55.589 1. 00 55.29 C
ATOM 1059 OE1 GLN A 146 -11.401 23.354 56.301 1. 00 56.49 0
ATOM 1060 NE2 GLN A 146 -13.596 23.208 55.808 1. 00 54.89 N
ATOM 1061 N LEU A 147 -8.822 23.686 51.529 1. 00 28.69 N
ATOM 1062 CA LEU A 147 -7.538 24.045 50.908 1. 00 26.38 C
ATOM 1063 C LEU A 147 -7.348 25.568 50.746 1. 00 25.71 C
ATOM 1064 0 LEU A 147 -6.294 26.106 51.053 1. 00 27.16 0
ATOM 1065 CB LEU A 147 -7.403 23.368 49.540 1. 00 25.49 C
ATOM 1066 CG LEU A 147 -7.150 21.858 49.627 1. 00 18.38 C
ATOM 1067 CD1 LEU A 147 -7.266 21.176 48.310 1. 00 23.20 C
ATOM 1068 CD2 LEU A 147 -5.793 21.583 50.322 1. 00 23.63 C
ATOM 1069 N VAL A 148 -8.380 26.247 50.266 1. 00 25.18 N
ATOM 1070 CA VAL A 148 -8.357 27.710 50.138 1. 00 26.12 C
ATOM 1071 C VAL A 148 -8.003 28.382 51.473 1. 00 25.64 C
ATOM 1072 0 VAL A 148 -7.141 29.258 51. 517 1. 00 24.23 0
ATOM 1073 CB VAL A 148 -9.697 28.269 49.541 1. 00 27.56 C
ATOM 1074 CG1 VAL A 148 -9.754 29.811 49.650 1. 00 29.25 C
ATOM 1075 CG2 VAL A 148 -9.803 27.896 48.108 1. 00 26.15 C
ATOM 1076 N MET A 149 -8.646 27.941 52.553 1. 00 27.42 N
ATOM 1077 CA MET A 149 -8.411 28.500 53.881 1. 00 31.69 C
ATOM 1078 C MET A 149 -6.990 28.249 54.351 1. 00 26.37 C
ATOM 1079 0 MET A 149 -6.363 29.133 54.894 1. 00 28.46 0
ATOM 1080 CB MET A 149 -9.398 27.935 54.902 1. 00 29.87 C
ATOM 1081 CG MET A 149 -10.842 28.329 54.649 1. 00 43.96 C
ATOM 1082 SD MET A 149 -11.849 28.143 56.141 1. 00 47.32 S
ATOM 1083 CE MET A 149 -11.451 29.669 57.007 1. 00 53.81 C
ATOM 1084 N THR A 150 -6.486 27.047 54.104 1. 00 27.61 N
ATOM 1085 CA THR A 150 -5.129 26.669 54.453 1. 00 27.72 C
ATOM 1086 C THR A 150 -4.100 27.521 53.678 1. 00 24.79 C
ATOM 1087 0 THR A 150 -3.116 27.990 54.262 1. 00 27.77 0
ATOM 1088 CB THR A 150 -4.887 25.140 54.198 1. 00 30.23 C
ATOM 1089 OG1 THR A 150 -5.755 24.354 55.025 1. 00 32.20 0
ATOM 1090 CG2 THR A 150 -3.443 24.744 54.480 1. 00 30.28 C
ATOM 1091 N PHE A 151 -4.313 27.711 52.380 1. 00 22.84 N
ATOM 1092 CA PHE A 151 -3.455 28.605 51.594 1. 00 23.44 C
ATOM 1093 C PHE A 151 -3.417 30.045 52.151 1. 00 24.61 C
ATOM 1094 0 PHE A 151 -2.348 30.649 52.335 1. 00 20.67 0
ATOM 1095 CB PHE A 151 -3.936 28.648 50.139 1. 00 25.89 C
ATOM 1096 CG PHE A 151 -3.149 29.565 49.257 1. 00 21.55 C
ATOM 1097 CD1 PHE A 151 -2.188 29.050 48.388 1. 00 27.18 C
ATOM 1098 CE1 PHE A 151 -1.473 29.894 47.528 1. 00 15.55 C
ATOM 1099 CZ PHE A 151 -1.714 31.291 47.524 1. 00 28.59 C

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Figure IA-21

Atom Type Residue # X Y Z Oee B Type

ATOM 1100 CE2 PHE A 151 -2.672 31.830 48.413 1. 00 19.86 C
ATOM 1101 CD2 PHE A 151 -3.392 30.964 49.256 1. 00 25.92 C
ATOM 1102 N GLN A 152 -4.595 30.602 52.401 1. 00 23.81 N
ATOM 1103 CA GLN A 152 -4.676 31.957 52.943 1. 00 22.23 C
ATOM 1104 C GLN A 152 -3.914 32.155 54.269 1. 00 24.38 C
ATOM 1105 0 GLN A 152 -3.264 33.184 54.473 1. 00 27.10 0
ATOM 1106 CB GLN A 152 -6.137 32.320 53.122 1. 00 27.20 C
ATOM 1107 CG GLN A 152 -6.774 32.784 51.850 1. 00 24.16 C
ATOM 1108 CD GLN A 152 -8.274 32.667 51.896 1. 00 31. 43 C
ATOM 1109 OE1 GLN A 152 -8.828 32.057 52.809 1. 00 33.15 0
ATOM 1110 NE2 GLN A 152 -8.943 33.219 50.889 1. 00 31.72 N
ATOM 1111 N HIS A 153 -3.987 31.161 55.140 1. 00 26.83 N
ATOM 1112 CA HIS A 153 -3.233 31.133 56.377 1. 00 29.32 C
ATOM 1113 C HIS A 153 -1.742 30.853 56.165 1. 00 29.40 C
ATOM 1114 0 HIS A 153 -0.898 31.513 56.763 1. 00 31. 22 0
ATOM 1115 CB HIS A 153 -3.823 30.127 57.360 1. 00 29.28 C
ATOM 1116 CG HIS A 153 -3.146 30.140 58.695 1. 00 41. 39 C
ATOM 1117 ND1 HIS A 153 -3.230 31.213 59.559 1. 00 50.69 N
ATOM 1118 CE1 HIS A 153 -2.528 30.954 60.648 1. 00 53.26 C
ATOM 1119 NE2 HIS A 153 -1.983 29.757 60.517 1. 00 54.44 N
ATOM 1120 CD2 HIS A 153 -2.349 29.229 59.302 1. 00 49.08 C
ATOM 1121 N PHE A 154 -1.411 29.876 55.327 1. 00 29.47 N
ATOM 1122 CA PHE A 154 0.002 29.584 55.032 1. 00 29.74 C
ATOM 1123 C PHE A 154 0.770 30.781 54.420 1. 00 30.91 C
ATOM 1124 0 PHE A 154 1.894 31.090 54.816 1. 00 32.32 0
ATOM 1125 CB PHE A 154 0.102 28.353 54.119 1. 00 29.58 C
ATOM 1126 CG PHE A 154 1. 492 28.008 53.717 1. 00 22.92 C
ATOM 1127 CD1 PHE A 154 2.399 27.510 54.651 1. 00 29.40 C
ATOM 1128 CE1 PHE A 154 3.693 27.193 54.269 1. 00 30.95 C
ATOM 1129 CZ PHE A 154 4.097 27.386 52.940 1. 00 22.98 C
ATOM 1130 CE2 PHE A 154 3.217 27.851 52.016 1. 00 16.65 C
ATOM 1131 CD2 PHE A 154 1.906 28.177 52.406 1. 00 21.54 C
ATOM 1132 N MET A 155 0.126 31.450 53.480 1. 00 28.08 N
ATOM 1133 CA MET A 155 0.726 32.505 52.695 1. 00 27.76 C
ATOM 1134 C MET A 155 0.653 33.896 53.340 1. 00 24.24 C
ATOM 1135 0 MET A 155 1.075 34.838 52.727 1. 00 26.40 0
ATOM 1136 CB MET A 155 0.061 32.575 51.311 1. 00 27.20 C
ATOM 1137 CG MET A 155 0.360 31.388 50.359 1. 00 29.06 C
ATOM 1138 SD MET A 155 2.114 31.029 50.132 1. 00 26.23 S
ATOM 1139 CE MET A 155 2.703 32.487 49.227 1. 00 30.90 C
ATOM 1140 N ARG A 156 0.157 33.984 54.573 1. 00 26.58 N
ATOM 1141 CA ARG A 156 -0.314 35.237 55.185 1. 00 32.18 C
ATOM 1142 C ARG A 156 0.774 36.310 55.399 1. 00 31.59 C
ATOM 1143 0 ARG A 156 0.487 37.497 55.409 1. 00 31.78 0
ATOM 1144 CB ARG A 156 -1.104 34.939 56.483 1. 00 30.28 C
ATOM 1145 CG ARG A 156 -0.241 34.571 57.681 1. 00 37.66 C
ATOM 1146 CD ARG A 156 -1.103 34.061 58.851 1. 00 40.67 C
ATOM 1147 NE ARG A 156 -0.322 33.709 60.045 1. 00 54.96 N
ATOM 1148 CZ ARG A 156 0.413 32.602 60.188 1. 00 60.64 C
ATOM 1149 NH1 ARG A 156 0.505 31.705 59.209 1. 00 60.35 N
ATOM 1150 NH2 ARG A 156 1.071 32.390 61.322 1. 00 62.54 N
ATOM 1151 N GLU A 157 2.026 35.880 55.523 1. 00 33.09 N
ATOM 1152 CA GLU A 157 3.141 36.784 55.646 1. 00 35.03 C
ATOM 1153 C GLU A 157 3.574 37.426 54.328 1. 00 34.97 C
ATOM 1154 0 GLU A 157 4.282 38.429 54.343 1. 00 36.37 0

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Figure IA-22

Atom Type Residue # X Y Z Oee B Type

ATOM 1155 CB GLU A 157 4.322 36.086 56.297 1. 00 36.25 C
ATOM 1156 CG GLU A 157 4.359 36.261 57.804 1. 00 50.50 C
ATOM 1157 CD GLU A 157 5.781 36.361 58.338 1. 00 63.01 C
ATOM 1158 OE1 GLU A 157 6.497 37.319 57.965 1. 00 67.01 0
ATOM 1159 OE2 GLU A 157 6.181 35.484 59.136 1. 00 69.35 0
ATOM 1160 N GLU A 158 3.141 36.861 53.202 1. 00 32.93 N
ATOM 1161 CA GLU A 158 3.503 37.372 51.891 1. 00 32.90 C
ATOM 1162 C GLU A 158 2.342 37.984 51.159 1. 00 30.18 C
ATOM 1163 0 GLU A 158 2.529 38.918 50.386 1. 00 34.31 0
ATOM 1164 CB GLU A 158 4.119 36.274 50.995 1. 00 32.40 C
ATOM 1165 CG GLU A 158 5.453 35.733 51.471 1. 00 30.79 C
ATOM 1166 CD GLU A 158 6.576 36.734 51.375 1. 00 38.16 C
ATOM 1167 OE1 GLU A 158 6.446 37.722 50.616 1. 00 34.60 0
ATOM 1168 OE2 GLU A 158 7.587 36.530 52.073 1. 00 35.73 0
ATOM 1169 N ILE A 159 1.156 37.431 51.380 1. 00 28.61 N
ATOM 1170 CA ILE A 159 -0.062 37.802 50.674 1. 00 27.89 C
ATOM 1171 C ILE A 159 -1.166 37.936 51.694 1. 00 28.73 C
ATOM 1172 0 ILE A 159 -1.434 36.981 52.437 1. 00 27.82 0
ATOM 1173 CB ILE A 159 -0.537 36.682 49.632 1. 00 26.48 C
ATOM 1174 CG1 ILE A 159 0.492 36.449 48.556 1. 00 23.94 C
ATOM 1175 CD1 ILE A 159 0.349 35.070 47.894 1. 00 30.34 C
ATOM 1176 CG2 ILE A 159 -1.835 37.109 48.942 1. 00 34.94 C
ATOM 1177 N GLN A 160 -1.825 39.101 51.720 1. 00 27.60 N
ATOM 1178 CA GLN A 160 -2.947 39.317 52.641 1. 00 29.46 C
ATOM 1179 C GLN A 160 -4.288 39.436 51.947 1. 00 27.21 C
ATOM 1180 0 GLN A 160 -5.317 39.241 52.572 1. 00 29.08 0
ATOM 1181 CB GLN A 160 -2.712 40.543 53.555 1. 00 30.62 C
ATOM 1182 CG GLN A 160 -1.441 40.498 54.398 1. 00 33.60 C
ATOM 1183 CD GLN A 160 -0.177 40.719 53.577 1. 00 42.42 C
ATOM 1184 OE1 GLN A 160 -0.145 41.577 52.702 1. 00 31.88 0
ATOM 1185 NE2 GLN A 160 0.866 39.917 53.842 1. 00 38.77 N
ATOM 1186 N ASP A 161 -4.303 39.749 50.651 1. 00 23.29 N
ATOM 1187 CA ASP A 161 -5.563 39.979 49.996 1. 00 21.68 C
ATOM 1188 C ASP A 161 -5.494 39.642 48.529 1. 00 19.61 C
ATOM 1189 0 ASP A 161 -4.426 39.695 47.945 1. 00 20.25 0
ATOM 1190 CB ASP A 161 -5.948 41.474 50.127 1. 00 24.82 C
ATOM 1191 CG ASP A 161 -7.333 41.775 49.581 1. 00 24.99 C
ATOM 1192 OD1 ASP A 161 -8.313 41.399 50.237 1. 00 27.49 0
ATOM 1193 OD2 ASP A 161 -7.462 42.388 48.495 1. 00 25.35 0
ATOM 1194 N ALA A 162 -6.658 39.397 47.936 1. 00 20.64 N
ATOM 1195 CA ALA A 162 -6.785 39.052 46.519 1. 00 22.12 C
ATOM 1196 C ALA A 162 -6.198 40.121 45.603 1. 00 22.22 C
ATOM 1197 0 ALA A 162 -5.723 39.794 44.534 1. 00 18.19 0
ATOM 1198 CB ALA A 162 -8.228 38.791 46.165 1. 00 22.57 C
ATOM 1199 N SER A 163 -6.217 41.396 46.041 1. 00 23.20 N
ATOM 1200 CA SER A 163 -5.719 42.509 45.221 1. 00 19.20 C
ATOM 1201 C SER A 163 -4.205 42.409 44.987 1. 00 17.93 C
ATOM 1202 0 SER A 163 -3.683 43.140 44.148 1. 00 19.61 0
ATOM 1203 CB SER A 163 -6.090 43.888 45.853 1. 00 15.13 C
ATOM 1204 OG SER A 163 -5.590 44.033 47.175 1. 00 16.02 0
ATOM 1205 N GLN A 164 -3.521 41.542 45.736 1. 00 17.13 N
ATOM 1206 CA GLN A 164 -2.064 41.348 45.612 1. 00 19.24 C
ATOM 1207 C GLN A 164 -1.665 40.263 44.593 1. 00 20.06 C
ATOM 1208 0 GLN A 164 -0.491 40.060 44.356 1. 00 23.29 0
ATOM 1209 CB GLN A 164 -1.427 41.024 46.947 1. 00 19.26 C

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Figure IA-23

Atom Type Residue # X Y Z Oee B Type

ATOM 1210 CG GLN A 164 -1.365 42.206 47.891 1. 00 25.56 C
ATOM 1211 CD GLN A 164 -1.151 41.785 49.326 1. 00 24.03 C
ATOM 1212 OE1 GLN A 164 -1.908 40.997 49.851 1. 00 31.62 0
ATOM 1213 NE2 GLN A 164 -0.140 42.364 49.984 1. 00 29.05 N
ATOM 1214 N LEU A 165 -2.650 39.592 44.012 1. 00 20.34 N
ATOM 1215 CA LEU A 165 -2.410 38.622 42.933 1. 00 22.44 C
ATOM 1216 C LEU A 165 -3.143 39.039 41.667 1. 00 20.73 C
ATOM 1217 0 LEU A 165 -4.030 39.892 41.732 1. 00 18.17 0
ATOM 1218 CB LEU A 165 -2.799 37.195 43.386 1. 00 22.63 C
ATOM 1219 CG LEU A 165 -2.070 36.695 44.634 1. 00 31.60 C
ATOM 1220 CD1 LEU A 165 -2.616 35.319 45.054 1. 00 33.88 C
ATOM 1221 CD2 LEU A 165 -0.520 36.678 44.478 1. 00 20.77 C
ATOM 1222 N PRO A 166 -2.765 38.469 40.482 1. 00 21.03 N
ATOM 1223 CA PRO A 166 -3.504 38.849 39.268 1. 00 20.77 C
ATOM 1224 C PRO A 166 -5.012 38.720 39.384 1. 00 19.42 C
ATOM 1225 0 PRO A 166 -5.503 37.775 39.973 1. 00 22.09 0
ATOM 1226 CB PRO A 166 -2.960 37.910 38.191 1. 00 22.09 C
ATOM 1227 CG PRO A 166 -1.592 37.547 38.666 1. 00 24.59 C
ATOM 1228 CD PRO A 166 -1.678 37.522 40.192 1. 00 25.42 C
ATOM 1229 N PRO A 167 -5.759 39.707 38.851 1. 00 22.61 N
ATOM 1230 CA PRO A 167 -7.227 39.684 38.935 1. 00 23.88 C
ATOM 1231 C PRO A 167 -7.902 38.413 38.378 1. 00 21.69 C
ATOM 1232 0 PRO A 167 -8.897 37.968 38.909 1. 00 20.34 0
ATOM 1233 CB PRO A 167 -7.645 40.943 38.154 1. 00 21.93 C
ATOM 1234 CG PRO A 167 -6.447 41.495 37.593 1. 00 25.81 C
ATOM 1235 CD PRO A 167 -5.267 40.964 38.270 1. 00 22.06 C
ATOM 1236 N ALA A 168 -7.326 37.835 37.331 1. 00 22.35 N
ATOM 1237 CA ALA A 168 -7.883 36.677 36.686 1. 00 20.97 C
ATOM 1238 C ALA A 168 -7.630 35.414 37.516 1. 00 22.87 C
ATOM 1239 0 ALA A 168 -8.227 34.349 37.256 1. 00 22.88 0
ATOM 1240 CB ALA A 168 -7.310 36.549 35.296 1. 00 21.57 C
ATOM 1241 N PHE A 169 -6.752 35.513 38.516 1. 00 21.74 N
ATOM 1242 CA PHE A 169 -6.481 34.375 39.373 1. 00 21.16 C
ATOM 1243 C PHE A 169 -7.572 34.201 40.446 1. 00 24.91 C
ATOM 1244 0 PHE A 169 -7.913 35.131 41.158 1. 00 24.64 0
ATOM 1245 CB PHE A 169 -5.072 34.428 39.951 1. 00 20.38 C
ATOM 1246 CG PHE A 169 -4.740 33.288 40.875 1. 00 20.24 C
ATOM 1247 CD1 PHE A 169 -4.183 32.105 40.383 1. 00 16.65 C
ATOM 1248 CE1 PHE A 169 -3.869 31.042 41.242 1. 00 15.67 C
ATOM 1249 CZ PHE A 169 -4.103 31.148 42.573 1. 00 19.78 C
ATOM 1250 CE2 PHE A 169 -4.675 32.302 43.094 1. 00 25.80 C
ATOM 1251 CD2 PHE A 169 -4.977 33.385 42.246 1. 00 21. 25 C
ATOM 1252 N ASP A 170 -8.158 33.012 40.490 1. 00 21. 42 N
ATOM 1253 CA ASP A 170 - 9.118 32.679 41.512 1. 00 23.28 C
ATOM 1254 C ASP A 170 -8.646 31.463 42.310 1. 00 21. 23 C
ATOM 1255 0 ASP A 170 -8.485 30.372 41.763 1. 00 20.87 0
ATOM 1256 CB ASP A 170 -10.494 32.399 40.898 1. 00 22.69 C
ATOM 1257 CG ASP A 170 -11.514 32.074 41.958 1. 00 26.08 C
ATOM 1258 OD1 ASP A 170 -12.043 33.026 42.582 1. 00 35.42 0
ATOM 1259 OD2 ASP A 170 -11.744 30.878 42.207 1. 00 26.79 0
ATOM 1260 N LEU A 171 -8.441 31.650 43.599 1. 00 22.36 N
ATOM 1261 CA LEU A 171 -7.864 30.610 44.431 1. 00 25.65 C
ATOM 1262 C LEU A 171 -8.656 29.302 44.423 1. 00 24.14 C
ATOM 1263 0 LEU A 171 -8.072 28.254 44.303 1. 00 22.38 0
ATOM 1264 CB LEU A 171 -7.709 31.107 45.856 1. 00 28.27 C

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Figure IA-24

Atom Type Residue # X Y Z Oee B Type

ATOM 1265 CG LEU A 171 -6.739 30.419 46.783 1. 00 26.00 C
ATOM 1266 CD1 LEU A 171 -5.344 30.119 46.124 1. 00 20.25 C
ATOM 1267 CD2 LEU A 171 -6.602 31.322 47.985 1. 00 26.21 C
ATOM 1268 N PHE A 172 -9.979 29.374 44.560 1. 00 26.12 N
ATOM 1269 CA PHE A 172 -10.829 28.163 44.546 1. 00 24.35 C
ATOM 1270 C PHE A 172 -10.705 27.372 43.235 1. 00 21.68 C
ATOM 1271 0 PHE A 172 -10.478 26.170 43.254 1. 00 21.07 0
ATOM 1272 CB PHE A 172 -12.293 28.530 44.827 1. 00 21.59 C
ATOM 1273 CG PHE A 172 -13.223 27.360 44.827 1. 00 19.56 C
ATOM 1274 CD1 PHE A 172 -13.481 26.670 46.004 1. 00 23.59 C
ATOM 1275 CE1 PHE A 172 -14.355 25.603 46.022 1. 00 26.67 C
ATOM 1276 CZ PHE A 172 -14.996 25.215 44.864 1. 00 29.14 C
ATOM 1277 CE2 PHE A 172 -14.756 25.905 43.671 1. 00 31.52 C
ATOM 1278 CD2 PHE A 172 -13.876 26.973 43.668 1. 00 28.62 C
ATOM 1279 N GLU A 173 -10.834 28.062 42.111 1. 00 22.39 N
ATOM 1280 CA GLU A 173 -10.676 27.425 40.809 1. 00 24.71 C
ATOM 1281 C GLU A 173 -9.215 26.968 40.568 1. 00 22.49 C
ATOM 1282 0 GLU A 173 -8.993 26.018 39.862 1. 00 19.75 0
ATOM 1283 CB GLU A 173 -11.241 28.297 39.674 1. 00 24.79 C
ATOM 1284 CG GLU A 173 -10.390 29.489 39.264 1. 00 38.71 C
ATOM 1285 CD GLU A 173 -10.802 30.115 37.917 1. 00 36.58 C
ATOM 1286 OE1 GLU A 173 -10.012 30.935 37.365 1. 00 44.83 0
ATOM 1287 OE2 GLU A 173 -11.909 29.779 37.420 1. 00 52.44 0
ATOM 1288 N ALA A 174 -8.230 27.649 41.169 1. 00 19.85 N
ATOM 1289 CA ALA A 174 -6.847 27.201 41.090 1. 00 19.84 C
ATOM 1290 C ALA A 174 -6.647 25.830 41.753 1. 00 18.95 C
ATOM 1291 0 ALA A 174 -5.984 24.992 41.184 1. 00 19.55 0
ATOM 1292 CB ALA A 174 -5.891 28.230 41.656 1. 00 20.06 C
ATOM 1293 N PHE A 175 -7.197 25.606 42.952 1. 00 21. 24 N
ATOM 1294 CA PHE A 175 -7.124 24.285 43.557 1. 00 20.62 C
ATOM 1295 C PHE A 175 -7.890 23.272 42.692 1. 00 18.71 C
ATOM 1296 0 PHE A 175 -7.425 22.160 42.522 1. 00 20.95 0
ATOM 1297 CB PHE A 175 -7.580 24.257 45.037 1. 00 20.61 C
ATOM 1298 CG PHE A 175 -6.562 24.787 46.005 1. 00 20.12 C
ATOM 1299 CD1 PHE A 175 -5.463 23.992 46.406 1. 00 17.76 C
ATOM 1300 CE1 PHE A 175 -4.531 24.450 47.312 1. 00 22.30 C
ATOM 1301 CZ PHE A 175 -4.650 25.754 47.835 1. 00 24.00 C
ATOM 1302 CE2 PHE A 175 -5.732 26.564 47.445 1. 00 26.80 C
ATOM 1303 CD2 PHE A 175 -6.686 26.067 46.524 1. 00 21. 20 C
ATOM 1304 N ALA A 176 -9.004 23.673 42.088 1. 00 18.14 N
ATOM 1305 CA ALA A 176 -9.753 22.769 41.237 1. 00 20.58 C
ATOM 1306 C ALA A 176 -8.950 22.366 39.960 1. 00 20.97 C
ATOM 1307 0 ALA A 176 -8.940 21.202 39.570 1. 00 21.66 0
ATOM 1308 CB ALA A 176 -11.128 23.344 40.893 1. 00 21.74 C
ATOM 1309 N LYS A 177 -8.221 23.320 39.389 1. 00 22.04 N
ATOM 1310 CA LYS A 177 -7.295 23.058 38.282 1. 00 20.89 C
ATOM 1311 C LYS A 177 -6.223 22.060 38.681 1. 00 19.49 C
ATOM 1312 0 LYS A 177 -5.886 21.185 37.898 1. 00 19.37 0
ATOM 1313 CB LYS A 177 -6.612 24.339 37.773 1. 00 19.07 C
ATOM 1314 CG LYS A 177 -7.493 25.306 37.007 1. 00 18.56 C
ATOM 1315 CD LYS A 177 -6.805 26.669 36.947 1. 00 19.03 C
ATOM 1316 CE LYS A 177 -7.666 27.703 36.274 1. 00 19.12 C
ATOM 1317 NZ LYS A 177 -7.635 27.731 34.812 1. 00 17.83 N
ATOM 1318 N VAL A 178 -5.699 22.203 39.895 1. 00 19.49 N
ATOM 1319 CA VAL A 178 -4.617 21.358 40.381 1. 00 21.50 C

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Figure IA-25

Atom Type Residue # X Y Z Oee B Type

ATOM 1320 C VAL A 178 -5.057 19.895 40.475 1. 00 20.57 C
ATOM 1321 0 VAL A 178 -4.298 19.028 40.118 1. 00 24.54 0
ATOM 1322 CB VAL A 178 -4.023 21.937 41.734 1. 00 20.59 C
ATOM 1323 CG1 VAL A 178 -3.173 20.932 42.483 1. 00 23.20 C
ATOM 1324 CG2 VAL A 178 -3.246 23.237 41.444 1. 00 21. 38 C
ATOM 1325 N ILE A 179 -6.294 19.634 40.908 1. 00 19.64 N
ATOM 1326 CA ILE A 179 -6.794 18.271 41.108 1. 00 20.54 C
ATOM 1327 C ILE A 179 -6.723 17.485 39.812 1. 00 17.30 C
ATOM 1328 0 ILE A 179 -6.342 16.350 39.828 1. 00 20.39 0
ATOM 1329 CB ILE A 179 -8.306 18.231 41.552 1. 00 20.63 C
ATOM 1330 CG1 ILE A 179 -8.532 18.809 42.935 1. 00 30.15 C
ATOM 1331 CD1 ILE A 179 -10.011 18.976 43.206 1. 00 26.64 C
ATOM 1332 CG2 ILE A 179 -8.923 16.770 41.431 1. 00 22.88 C
ATOM 1333 N CYS A 180 -7.101 18.094 38.690 1. 00 17.68 N
ATOM 1334 CA CYS A 180 -7.152 17.384 37.433 1. 00 20.66 C
ATOM 1335 C CYS A 180 -6.068 17.746 36.377 1. 00 17.45 C
ATOM 1336 0 CYS A 180 -6.166 17.319 35.222 1. 00 17.53 0
ATOM 1337 CB CYS A 180 -8.550 17.469 36.840 1. 00 24.11 C
ATOM 1338 SG CYS A 180 - 9.013 19.117 36.358 1. 00 29.50 S
ATOM 1339 N ASN A 181 -5.054 18.525 36.775 1. 00 15.02 N
ATOM 1340 CA ASN A 181 -3.943 18.868 35.907 1. 00 17.57 C
ATOM 1341 C ASN A 181 -2.537 18.753 36.560 1. 00 19.44 C
ATOM 1342 0 ASN A 181 -1.566 19.217 35.995 1. 00 24.71 0
ATOM 1343 CB ASN A 181 -4.127 20.290 35.359 1. 00 15.14 C
ATOM 1344 CG ASN A 181 -5.407 20.450 34.550 1. 00 13 .41 C
ATOM 1345 OD1 ASN A 181 -5.471 20.049 33.397 1. 00 16.45 0
ATOM 1346 ND2 ASN A 181 -6.434 20.999 35.163 1. 00 22.73 N
ATOM 1347 N SER A 182 -2.437 18.125 37.718 1. 00 20.11 N
ATOM 1348 CA SER A 182 -1.146 17.925 38.384 1. 00 18.80 C
ATOM 1349 C SER A 182 -0.416 16.750 37.768 1. 00 17.92 C
ATOM 1350 0 SER A 182 -1.032 15.749 37.355 1. 00 19.10 0
ATOM 1351 CB SER A 182 -1.353 17.599 39.880 1. 00 15.94 C
ATOM 1352 OG SER A 182 -1.770 18.706 40.603 1. 00 26.44 0
ATOM 1353 N PHE A 183 0.909 16.848 37.752 1. 00 16.99 N
ATOM 1354 CA PHE A 183 1.781 15.733 37.380 1. 00 17.72 C
ATOM 1355 C PHE A 183 2.621 15.342 38.557 1. 00 17.67 C
ATOM 1356 0 PHE A 183 3.174 16.198 39.244 1. 00 17.93 0
ATOM 1357 CB PHE A 183 2.697 16.138 36.215 1. 00 19.49 C
ATOM 1358 CG PHE A 183 1.970 16.341 34.923 1. 00 16.37 C
ATOM 1359 CD1 PHE A 183 1.825 15.279 34.029 1. 00 24.20 C
ATOM 1360 CE1 PHE A 183 1.143 15.457 32.802 1. 00 22.18 C
ATOM 1361 CZ PHE A 183 0.557 16.701 32.508 1. 00 22.49 C
ATOM 1362 CE2 PHE A 183 0.689 17.768 33.420 1. 00 20.36 C
ATOM 1363 CD2 PHE A 183 1. 376 17.566 34.617 1. 00 15.05 C
ATOM 1364 N THR A 184 2.725 14.033 38.767 1. 00 17.29 N
ATOM 1365 CA THR A 184 3.553 13.482 39.795 1. 00 19.57 C
ATOM 1366 C THR A 184 4.895 13.237 39.157 1. 00 17.08 C
ATOM 1367 0 THR A 184 5.004 12.406 38.274 1. 00 19.55 0
ATOM 1368 CB THR A 184 3.007 12.116 40.249 1. 00 20.25 C
ATOM 1369 OG1 THR A 184 1.649 12.275 40.656 1. 00 23.63 0
ATOM 1370 CG2 THR A 184 3.825 11.601 41.358 1. 00 18.08 C
ATOM 1371 N ILE A 185 5.900 13.961 39.623 1. 00 16.35 N
ATOM 1372 CA ILE A 185 7.255 13.869 39.136 1. 00 18.00 C
ATOM 1373 C ILE A 185 7.900 12.679 39.798 1. 00 16.26 C
ATOM 1374 0 ILE A 185 7.925 12.601 41.015 1. 00 18.89 0

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Figure IA-26

Atom Type Residue # X Y Z Oee B Type

ATOM 1375 CB ILE A 185 8.055 15.109 39.513 1. 00 16.55 C
ATOM 1376 CG1 ILE A 185 7.440 16.386 38.909 1. 00 19.34 C
ATOM 1377 CD1 ILE A 185 7.800 17.674 39.737 1. 00 14.88 C
ATOM 1378 CG2 ILE A 185 9.561 14.974 39.106 1. 00 16.65 C
ATOM 1379 N CYS A 186 8.455 11.794 38.969 1. 00 17.09 N
ATOM 1380 CA CYS A 186 9.125 10.587 39.416 1. 00 19.96 C
ATOM 1381 C CYS A 186 10.611 10.651 39.151 1. 00 16.65 C
ATOM 1382 0 CYS A 186 11.043 11.176 38.126 1. 00 18.32 0
ATOM 1383 CB CYS A 186 8.530 9.347 38.729 1. 00 19.68 C
ATOM 1384 SG CYS A 186 6.846 8.999 39.205 1. 00 24.48 S
ATOM 1385 N ASN A 187 11.400 10.114 40.078 1. 00 18.57 N
ATOM 1386 CA ASN A 187 12.846 10.024 39.864 1. 00 17.36 C
ATOM 1387 C ASN A 187 13 .183 8.874 38.882 1. 00 18.11 C
ATOM 1388 0 ASN A 187 12.277 8.171 38.402 1. 00 15.25 0
ATOM 1389 CB ASN A 187 13 .604 9.948 41.211 1. 00 19.86 C
ATOM 1390 CG ASN A 187 13.535 8.579 41.889 1. 00 17.37 C
ATOM 1391 OD1 ASN A 187 13.080 7.569 41.326 1. 00 18.36 0
ATOM 1392 ND2 ASN A 187 13.966 8.554 43.135 1. 00 21.03 N
ATOM 1393 N ALA A 188 14.459 8.724 38.563 1. 00 18.87 N
ATOM 1394 CA ALA A 188 14.915 7.737 37.582 1. 00 17.45 C
ATOM 1395 C ALA A 188 14.468 6.309 37.891 1. 00 16.53 C
ATOM 1396 0 ALA A 188 14.256 5.554 36.968 1. 00 17.07 0
ATOM 1397 CB ALA A 188 16.431 7.794 37.401 1. 00 17.25 C
ATOM 1398 N GLU A 189 14.307 5.986 39.184 1. 00 17.35 N
ATOM 1399 CA GLU A 189 13.899 4.674 39.688 1. 00 17.79 C
ATOM 1400 C GLU A 189 12.366 4.554 39.839 1. 00 18.28 C
ATOM 1401 0 GLU A 189 11.862 3.566 40.372 1. 00 15.79 0
ATOM 1402 CB GLU A 189 14.546 4.428 41.052 1. 00 21.60 C
ATOM 1403 CG GLU A 189 16.069 4.360 41.077 1. 00 23.43 C
ATOM 1404 CD GLU A 189 16.770 5.687 40.850 1. 00 26.78 C
ATOM 1405 OE1 GLU A 189 16.340 6.731 41.385 1. 00 26.51 0
ATOM 1406 OE2 GLU A 189 17.784 5.674 40.117 1. 00 33.26 0
ATOM 1407 N MET A 190 11.650 5.596 39.404 1. 00 20.24 N
ATOM 1408 CA MET A 190 10.166 5.686 39.487 1. 00 18.34 C
ATOM 1409 C MET A 190 9.590 5.860 40.886 1. 00 18.63 C
ATOM 1410 0 MET A 190 8.440 5.551 41.130 1. 00 18.63 0
ATOM 1411 CB MET A 190 9.484 4.544 38.741 1. 00 16.32 C
ATOM 1412 CG MET A 190 9.787 4.547 37.266 1. 00 17.82 C
ATOM 1413 SD MET A 190 8.990 5.948 36.415 1. 00 20.30 S
ATOM 1414 CE MET A 190 9.605 5.579 34.768 1. 00 19.08 C
ATOM 1415 N GLN A 191 10.403 6.350 41.802 1. 00 17.69 N
ATOM 1416 CA GLN A 191 9.918 6.750 43.111 1. 00 16.95 C
ATOM 1417 C GLN A 191 9.243 8.140 42.901 1. 00 16.35 C
ATOM 1418 0 GLN A 191 9.775 8.961 42.199 1. 00 16.52 0
ATOM 1419 CB GLN A 191 11.103 6.798 44.091 1. 00 18.57 C
ATOM 1420 CG GLN A 191 10.777 7.395 45.482 1. 00 22.41 C
ATOM 1421 CD GLN A 191 10.041 6.422 46.397 1. 00 25.76 C
ATOM 1422 OE1 GLN A 191 9.654 5.315 45.982 1. 00 30.87 0
ATOM 1423 NE2 GLN A 191 9.846 6.826 47.655 1. 00 21. 46 N
ATOM 1424 N GLU A 192 8.025 8.335 43.425 1. 00 19.42 N
ATOM 1425 CA GLU A 192 7.378 9.660 43.425 1. 00 21. 30 C
ATOM 1426 C GLU A 192 8.178 10.645 44.296 1. 00 19.93 C
ATOM 1427 0 GLU A 192 8.452 10.360 45.451 1. 00 22.83 0
ATOM 1428 CB GLU A 192 5.933 9.553 43.884 1. 00 19.54 C
ATOM 1429 CG GLU A 192 5.091 8.765 42.881 1. 00 24.19 C

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Figure IA-27

Atom Type Residue # X Y Z Oee B Type

ATOM 1430 CD GLU A 192 3.618 8.568 43.291 1. 00 26.21 C
ATOM 1431 OE1 GLU A 192 3.166 9.136 44.306 1. 00 40.45 0
ATOM 1432 OE2 GLU A 192 2.920 7.833 42.579 1. 00 31. 29 0
ATOM 1433 N VAL A 193 8.584 11.775 43.721 1. 00 17.50 N
ATOM 1434 CA VAL A 193 9.427 12.744 44.458 1. 00 17.46 C
ATOM 1435 C VAL A 193 8.915 14.164 44.490 1. 00 17.82 C
ATOM 1436 0 VAL A 193 9.349 14.945 45.321 1. 00 18.33 0
ATOM 1437 CB VAL A 193 10.931 12.729 44.000 1. 00 16.31 C
ATOM 1438 CG1 VAL A 193 11.557 11.352 44.316 1. 00 14.91 C
ATOM 1439 CG2 VAL A 193 11.068 13.057 42.493 1. 00 11.97 C
ATOM 1440 N GLY A 194 8.015 14.507 43.567 1. 00 19.29 N
ATOM 1441 CA GLY A 194 7.512 15.861 43.481 1. 00 19.08 C
ATOM 1442 C GLY A 194 6.149 15.925 42.816 1. 00 15.76 C
ATOM 1443 0 GLY A 194 5.616 14.918 42.362 1. 00 16.49 0
ATOM 1444 N VAL A 195 5.635 17.136 42.730 1. 00 15.91 N
ATOM 1445 CA VAL A 195 4.424 17.438 41.981 1. 00 14.90 C
ATOM 1446 C VAL A 195 4.664 18.751 41.235 1. 00 15.80 C
ATOM 1447 0 VAL A 195 5.305 19.639 41.771 1. 00 18.45 0
ATOM 1448 CB VAL A 195 3.195 17.529 42.925 1. 00 15.39 C
ATOM 1449 CG1 VAL A 195 3.336 18.680 43.953 1. 00 18.98 C
ATOM 1450 CG2 VAL A 195 1.879 17.637 42.091 1. 00 20.73 C
ATOM 1451 N GLY A 196 4.135 18.874 40.029 1. 00 17.67 N
ATOM 1452 CA GLY A 196 4.264 20.089 39.223 1. 00 17.92 C
ATOM 1453 C GLY A 196 3.126 20.333 38.240 1. 00 17.50 C
ATOM 1454 0 GLY A 196 2.304 19.446 37.948 1. 00 17.48 0
ATOM 1455 N LEU A 197 3.084 21.558 37.748 1. 00 18.64 N
ATOM 1456 CA LEU A 197 2.188 21.961 36.677 1. 00 18.64 C
ATOM 1457 C LEU A 197 3.002 22.184 35.433 1. 00 18.53 C
ATOM 1458 0 LEU A 197 4.040 22.862 35.483 1. 00 20.39 0
ATOM 1459 CB LEU A 197 1. 440 23.226 37.048 1. 00 18.21 C
ATOM 1460 CG LEU A 197 0.559 23.091 38.271 1. 00 10.87 C
ATOM 1461 CD1 LEU A 197 -0.216 24.432 38.337 1. 00 21.93 C
ATOM 1462 CD2 LEU A 197 -0.399 21.964 38.135 1. 00 22.72 C
ATOM 1463 N TYR A 198 2.544 21.548 34.348 1. 00 15.20 N
ATOM 1464 CA TYR A 198 3.153 21.621 33.014 1. 00 16.95 C
ATOM 1465 C TYR A 198 1.981 21.878 32.052 1. 00 16.63 C
ATOM 1466 0 TYR A 198 1. 465 20.974 31.462 1. 00 16.67 0
ATOM 1467 CB TYR A 198 3.864 20.282 32.695 1. 00 15.19 C
ATOM 1468 CG TYR A 198 4.984 19.802 33.643 1. 00 16.52 C
ATOM 1469 CD1 TYR A 198 6.332 19.940 33.290 1. 00 18.95 C
ATOM 1470 CE1 TYR A 198 7.328 19.497 34.118 1. 00 16.23 C
ATOM 1471 CZ TYR A 198 7.026 18.903 35.314 1. 00 18.28 C
ATOM 1472 OH TYR A 198 8.022 18.427 36.120 1. 00 15.54 0
ATOM 1473 CE2 TYR A 198 5.705 18.756 35.705 1. 00 20.91 C
ATOM 1474 CD2 TYR A 198 4.699 19.189 34.857 1. 00 17.17 C
ATOM 1475 N PRO A 199 1. 475 23.129 32.005 1. 00 19.82 N
ATOM 1476 CA PRO A 199 0.190 23.415 31.359 1. 00 18.19 C
ATOM 1477 C PRO A 199 0.054 22.904 29.912 1. 00 17.72 C
ATOM 1478 0 PRO A 199 -0.969 22.348 29.580 1. 00 17.95 0
ATOM 1479 CB PRO A 199 0.054 24.941 31.493 1. 00 15.23 C
ATOM 1480 CG PRO A 199 0.805 25.224 32.811 1. 00 16.82 C
ATOM 1481 CD PRO A 199 2.021 24.329 32.682 1. 00 19.78 C
ATOM 1482 N SER A 200 1.102 23.038 29.102 1. 00 19.57 N
ATOM 1483 CA SER A 200 1.097 22.528 27.724 1. 00 18.94 C
ATOM 1484 C SER A 200 0.851 21.027 27.645 1. 00 18.98 C

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Figure IA-28

Atom Type Residue # X Y Z Oee B Type

ATOM 1485 0 SER A 200 0.101 20.565 26.791 1. 00 23.20 0
ATOM 1486 CB SER A 200 2.418 22.885 27.018 1. 00 17.96 C
ATOM 1487 OG SER A 200 2.400 24.217 26.576 1. 00 26.62 0
ATOM 1488 N ILE A 201 1. 460 20.288 28.566 1. 00 19.29 N
ATOM 1489 CA ILE A 201 1. 292 18.858 28.649 1. 00 17.53 C
ATOM 1490 C ILE A 201 -0.092 18.512 29.185 1. 00 17.78 C
ATOM 1491 0 ILE A 201 -0.582 17.434 28.905 1. 00 14.58 0
ATOM 1492 CB ILE A 201 2.409 18.158 29.470 1. 00 17.18 C
ATOM 1493 CG1 ILE A 201 3.808 18.588 28.999 1. 00 19.06 C
ATOM 1494 CD1 ILE A 201 4.122 18.338 27.518 1. 00 21.99 C
ATOM 1495 CG2 ILE A 201 2.269 16.652 29.398 1. 00 16.68 C
ATOM 1496 N SER A 202 -0.728 19.436 29.914 1. 00 16.86 N
ATOM 1497 CA SER A 202 -2.088 19.199 30.413 1. 00 17.27 C
ATOM 1498 C SER A 202 -3.167 19.111 29.339 1. 00 15.51 C
ATOM 1499 0 SER A 202 -4.277 18.680 29.605 1. 00 17.99 0
ATOM 1500 CB SER A 202 -2.468 20.201 31.487 1. 00 17.75 C
ATOM 1501 OG SER A 202 -1.758 19.938 32.649 1. 00 22.88 0
ATOM 1502 N LEU A 203 -2.806 19.452 28.119 1. 00 17.49 N
ATOM 1503 CA LEU A 203 -3.690 19.376 26.998 1. 00 17.72 C
ATOM 1504 C LEU A 203 -3.999 17.928 26.640 1. 00 17.61 C
ATOM 1505 0 LEU A 203 -5.080 17.639 26.145 1. 00 20.93 0
ATOM 1506 CB LEU A 203 -3.022 20.092 25.851 1. 00 22.88 C
ATOM 1507 CG LEU A 203 -3.745 20.781 24.736 1. 00 25.45 C
ATOM 1508 CD1 LEU A 203 -5.081 21.411 25.164 1. 00 22.95 C
ATOM 1509 CD2 LEU A 203 -2.762 21.770 24.206 1. 00 20.51 C
ATOM 1510 N LEU A 204 -3.082 17.012 26.949 1. 00 12.95 N
ATOM 1511 CA LEU A 204 -3.273 15.600 26.562 1. 00 15.73 C
ATOM 1512 C LEU A 204 -4.414 14.950 27.347 1. 00 16.61 C
ATOM 1513 0 LEU A 204 -4.402 14.922 28.594 1. 00 16.25 0
ATOM 1514 CB LEU A 204 -2.001 14.792 26.725 1. 00 16.26 C
ATOM 1515 CG LEU A 204 -0.755 15.125 25.894 1. 00 23.10 C
ATOM 1516 CD1 LEU A 204 0.481 15.031 26.767 1. 00 31. 43 C
ATOM 1517 CD2 LEU A 204 -0.613 14.192 24.816 1. 00 20.88 C
ATOM 1518 N ASN A 205 -5.412 14.438 26.612 1. 00 15.25 N
ATOM 1519 CA ASN A 205 -6.452 13.617 27.229 1. 00 16.10 C
ATOM 1520 C ASN A 205 -5.955 12.247 27.627 1. 00 15.05 C
ATOM 1521 0 ASN A 205 -4.880 11.851 27.227 1. 00 17.45 0
ATOM 1522 CB ASN A 205 -7.733 13.606 26.361 1. 00 16.13 C
ATOM 1523 CG ASN A 205 -8.426 14.957 26.371 1. 00 12.61 C
ATOM 1524 OD1 ASN A 205 -8.646 15.546 27.439 1. 00 18.29 0
ATOM 1525 ND2 ASN A 205 -8.781 15.438 25.211 1. 00 22.76 N
ATOM 1526 N HIS A 206 -6.721 11.549 28.470 1. 00 15.13 N
ATOM 1527 CA HIS A 206 -6.352 10.238 28.989 1. 00 10.71 C
ATOM 1528 C HIS A 206 -6.817 9.074 28.106 1. 00 12.38 C
ATOM 1529 0 HIS A 206 -7.894 9.120 27.519 1. 00 13.92 0
ATOM 1530 CB HIS A 206 -7.021 10.050 30.394 1. 00 9.69 C
ATOM 1531 CG HIS A 206 -6.842 8.678 30.955 1. 00 15.42 C
ATOM 1532 ND1 HIS A 206 -7.757 7.669 30.755 1. 00 19.96 N
ATOM 1533 CE1 HIS A 206 -7.332 6.574 31.345 1. 00 11.21 C
ATOM 1534 NE2 HIS A 206 -6.158 6.823 31.887 1. 00 18.08 N
ATOM 1535 CD2 HIS A 206 -5.839 8.139 31.676 1. 00 8.03 C
ATOM 1536 N SER A 207 -6.018 8.010 28.087 1. 00 14.74 N
ATOM 1537 CA SER A 207 -6.447 6.678 27.645 1. 00 15.14 C
ATOM 1538 C SER A 207 -5.755 5.604 28.452 1. 00 15.58 C
ATOM 1539 0 SER A 207 -4.611 5.777 28.864 1. 00 16.85 0

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Figure IA-29

Atom Type Residue # X Y Z Oee B Type

ATOM 1540 CB SER A 207 -6.107 6.479 26.163 1. 00 15.43 C
ATOM 1541 OG SER A 207 -6.386 5.142 25.778 1. 00 19.85 0
ATOM 1542 N CYS A 208 -6.426 4.468 28.622 1. 00 16.97 N
ATOM 1543 CA CYS A 208 -5.883 3.304 29.289 1. 00 18.24 C
ATOM 1544 C CYS A 208 -4.967 2.465 28.346 1. 00 17.22 C
ATOM 1545 0 CYS A 208 -4.283 1.553 28.780 1. 00 16.80 0
ATOM 1546 CB CYS A 208 -6.988 2.471 29.922 1. 00 16.99 C
ATOM 1547 SG CYS A 208 -7.960 3.324 31.184 1. 00 18.56 S
ATOM 1548 N ASP A 209 -4.921 2.878 27.087 1. 00 18.50 N
ATOM 1549 CA ASP A 209 -4.038 2.320 26.060 1. 00 19.69 C
ATOM 1550 C ASP A 209 -3.510 3.501 25.207 1. 00 15.08 C
ATOM 1551 0 ASP A 209 -3.897 3.688 24.035 1. 00 17.36 0
ATOM 1552 CB ASP A 209 -4.803 1. 293 25.202 1. 00 19.65 C
ATOM 1553 CG ASP A 209 -3.935 0.669 24.127 1. 00 21.79 C
ATOM 1554 OD1 ASP A 209 -2.696 0.708 24.214 1. 00 19.58 0
ATOM 1555 OD2 ASP A 209 -4.504 0.139 23.171 1. 00 21.00 0
ATOM 1556 N PRO A 210 -2.637 4.323 25.805 1. 00 16.69 N
ATOM 1557 CA PRO A 210 -2.226 5.566 25.175 1. 00 15.06 C
ATOM 1558 C PRO A 210 -1.218 5.411 24.017 1. 00 14.56 C
ATOM 1559 0 PRO A 210 -0.483 4.410 23.937 1. 00 15.60 0
ATOM 1560 CB PRO A 210 -1.574 6.330 26.333 1. 00 15.49 C
ATOM 1561 CG PRO A 210 -0.991 5.264 27.170 1. 00 16.88 C
ATOM 1562 CD PRO A 210 -2.032 4.165 27.148 1. 00 14.19 C
ATOM 1563 N ASN A 211 -1.156 6.422 23.151 1. 00 16.63 N
ATOM 1564 CA ASN A 211 -0.139 6.409 22.097 1. 00 14.58 C
ATOM 1565 C ASN A 211 1.118 7.240 22.429 1. 00 12.93 C
ATOM 1566 0 ASN A 211 2.108 7.155 21.709 1. 00 14.89 0
ATOM 1567 CB ASN A 211 -0.736 6.786 20.747 1. 00 16.57 C
ATOM 1568 CG ASN A 211 -1.447 8.135 20.785 1. 00 19.78 C
ATOM 1569 OD1 ASN A 211 -1. 204 8.967 21.682 1. 00 18.94 0
ATOM 1570 ND2 ASN A 211 -2.322 8.361 19.810 1. 00 17.91 N
ATOM 1571 N CYS A 212 1.084 7.968 23.563 1. 00 13.99 N
ATOM 1572 CA CYS A 212 2.211 8.741 24.071 1. 00 13.98 C
ATOM 1573 C CYS A 212 2.471 8.429 25.520 1. 00 13.86 C
ATOM 1574 0 CYS A 212 1.607 7.897 26.203 1. 00 15.95 0
ATOM 1575 CB CYS A 212 1.966 10.244 23.943 1. 00 18.84 C
ATOM 1576 SG CYS A 212 1.717 10.789 22.270 1. 00 20.05 S
ATOM 1577 N SER A 213 3.653 8.815 25.983 1. 00 16.69 N
ATOM 1578 CA SER A 213 4.057 8.630 27.360 1. 00 15.58 C
ATOM 1579 C SER A 213 4.962 9.806 27.748 1. 00 11.90 C
ATOM 1580 0 SER A 213 5.670 10.340 26.918 1. 00 15.94 0
ATOM 1581 CB SER A 213 4.846 7.332 27.485 1. 00 14.57 C
ATOM 1582 OG SER A 213 5.393 7.166 28.772 1. 00 19.84 0
ATOM 1583 N ILE A 214 4.963 10.136 29.030 1. 00 12.90 N
ATOM 1584 CA ILE A 214 5.882 11 .123 29.587 1. 00 15.42 C
ATOM 1585 C ILE A 214 6.898 10.434 30.528 1. 00 12.47 C
ATOM 1586 0 ILE A 214 6.632 9.384 31.100 1. 00 15.27 0
ATOM 1587 CB ILE A 214 5.107 12.217 30.357 1. 00 16.45 C
ATOM 1588 CG1 ILE A 214 4.335 11.614 31.577 1. 00 19.96 C
ATOM 1589 CD1 ILE A 214 3.521 12.601 32.431 1. 00 21. 20 C
ATOM 1590 CG2 ILE A 214 4.176 12.901 29.428 1. 00 16.56 C
ATOM 1591 N VAL A 215 8.063 11.048 30.676 1. 00 15.66 N
ATOM 1592 CA VAL A 215 9.066 10.615 31.642 1. 00 15.77 C
ATOM 1593 C VAL A 215 9.704 11.904 32.147 1. 00 12.84 C
ATOM 1594 0 VAL A 215 9.824 12.864 31.407 1. 00 16.07 0

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Figure lA-30

Atom Type Residue # X Y Z Oee B Type

ATOM 1595 CB BVAL A 215 10.138 9.696 30.980 0.35 15.00 C
ATOM 1596 CB AVAL A 215 10.250 9.792 31.035 0.65 15.40 C
ATOM 1597 CG1BVAL A 215 11.100 9.147 32.017 0.35 14.24 C
ATOM 1598 CG1AVAL A 215 9.996 8.304 31.072 0.65 18.80 C
ATOM 1599 CG2BVAL A 215 9.486 8.539 30.264 0.35 17.05 C
ATOM 1600 CG2AVAL A 215 10.650 10.309 29.676 0.65 6.10 C
ATOM 1601 N PHE A 216 10.125 11.854 33.402 1. 00 14.33 N
ATOM 1602 CA PHE A 216 10.820 12.918 34.052 1. 00 14.73 C
ATOM 1603 C PHE A 216 12.291 12.561 34.163 1. 00 15.51 C
ATOM 1604 0 PHE A 216 12.641 11.406 34.438 1. 00 16.62 0
ATOM 1605 CB PHE A 216 10.216 13.135 35.430 1. 00 14.50 C
ATOM 1606 CG PHE A 216 8.751 13 .529 35.378 1. 00 12.68 C
ATOM 1607 CD1 PHE A 216 8.385 14.860 35.216 1. 00 18.02 C
ATOM 1608 CE1 PHE A 216 7.055 15.238 35.155 1. 00 19.15 C
ATOM 1609 CZ PHE A 216 6.065 14.271 35.242 1. 00 12.64 C
ATOM 1610 CE2 PHE A 216 6.413 12.917 35.407 1. 00 12.93 C
ATOM 1611 CD2 PHE A 216 7.771 12.561 35.455 1. 00 12.26 C
ATOM 1612 N ASN A 217 13.116 13.574 33.933 1. 00 15.84 N
ATOM 1613 CA ASN A 217 14.558 13.569 34.190 1. 00 19.96 C
ATOM 1614 C ASN A 217 14.753 14.743 35.169 1. 00 19.39 C
ATOM 1615 0 ASN A 217 14.827 15.869 34.754 1. 00 17.97 0
ATOM 1616 CB ASN A 217 15.284 13.840 32.856 1. 00 22.82 C
ATOM 1617 CG ASN A 217 16.739 13.307 32.807 1. 00 23.29 C
ATOM 1618 OD1 ASN A 217 17.422 13 .518 31.814 1. 00 25.77 0
ATOM 1619 ND2 ASN A 217 17.196 12.626 33.860 1. 00 25.19 N
ATOM 1620 N GLY A 218 14.757 14.481 36.466 1. 00 19.55 N
ATOM 1621 CA GLY A 218 14.582 15.549 37.439 1. 00 20.80 C
ATOM 1622 C GLY A 218 13.215 16.185 37.241 1. 00 19.42 C
ATOM 1623 0 GLY A 218 12.269 15.489 36.918 1. 00 20.38 0
ATOM 1624 N PRO A 219 13 .107 17.520 37.434 1. 00 22.17 N
ATOM 1625 CA PRO A 219 11.870 18.265 37.131 1. 00 20.42 C
ATOM 1626 C PRO A 219 11.511 18.308 35.633 1. 00 17.67 C
ATOM 1627 0 PRO A 219 10.397 18.649 35.292 1. 00 21.60 0
ATOM 1628 CB PRO A 219 12.194 19.692 37.580 1. 00 19.50 C
ATOM 1629 CG PRO A 219 13.381 19.580 38.487 1. 00 20.84 C
ATOM 1630 CD PRO A 219 14.148 18.390 38.021 1. 00 19.78 C
ATOM 1631 N HIS A 220 12.468 18.032 34.748 1. 00 18.49 N
ATOM 1632 CA HIS A 220 12.251 18.165 33.333 1. 00 15.87 C
ATOM 1633 C HIS A 220 11.373 17.011 32.787 1. 00 15.63 C
ATOM 1634 0 HIS A 220 11.607 15.868 33.083 1. 00 19.04 0
ATOM 1635 CB HIS A 220 13.598 18.219 32.591 1. 00 16.34 C
ATOM 1636 CG HIS A 220 13.484 18.637 31.160 1. 00 17.01 C
ATOM 1637 ND1 HIS A 220 13.170 19.920 30.778 1. 00 17.93 N
ATOM 1638 CE1 HIS A 220 13 .146 19.995 29.464 1. 00 23.12 C
ATOM 1639 NE2 HIS A 220 13.440 18.808 28.978 1. 00 18.66 N
ATOM 1640 CD2 HIS A 220 13.663 17.941 30.016 1. 00 27.22 C
ATOM 1641 N LEU A 221 10.392 17.358 31.961 1. 00 16.90 N
ATOM 1642 CA LEU A 221 9.450 16.408 31.402 1. 00 15.08 C
ATOM 1643 C LEU A 221 9.660 16.233 29.896 1. 00 13.60 C
ATOM 1644 0 LEU A 221 9.766 17.211 29.159 1. 00 16.62 0
ATOM 1645 CB LEU A 221 8.001 16.853 31.729 1. 00 16.14 C
ATOM 1646 CG LEU A 221 6.782 16.011 31.295 1. 00 16.11 C
ATOM 1647 CD1 LEU A 221 5.594 16.424 32.150 1. 00 12.65 C
ATOM 1648 CD2 LEU A 221 6.484 16.058 29.743 1. 00 16.01 C
ATOM 1649 N LEU A 222 9.743 14.969 29.444 1. 00 15.46 N

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Figure lA-31

Atom Type Residue # X Y Z Oee B Type

ATOM 1650 CA LEU A 222 9.813 14.657 28.015 1. 00 14.80 C
ATOM 1651 C LEU A 222 8.553 13.883 27.601 1. 00 14.40 C
ATOM 1652 0 LEU A 222 8.161 12.970 28.280 1. 00 15.92 0
ATOM 1653 CB LEU A 222 11.039 13.788 27.709 1. 00 16.01 C
ATOM 1654 CG LEU A 222 12.419 14.242 28.169 1. 00 15.94 C
ATOM 1655 CD1 LEU A 222 13.391 13 . 037 28.040 1. 00 22.14 C
ATOM 1656 CD2 LEU A 222 12.853 15.391 27.358 1. 00 18.47 C
ATOM 1657 N LEU A 223 7.900 14.340 26.533 1. 00 14.60 N
ATOM 1658 CA LEU A 223 6.722 13.702 25.954 1. 00 13 .13 C
ATOM 1659 C LEU A 223 7.137 12.990 24.664 1. 00 15.06 C
ATOM 1660 0 LEU A 223 7.702 13.620 23.782 1. 00 17.91 0
ATOM 1661 CB LEU A 223 5.644 14.722 25.666 1. 00 13.92 C
ATOM 1662 CG LEU A 223 4.405 14.206 24.916 1. 00 14.95 C
ATOM 1663 CD1 LEU A 223 3.498 13 .243 25.761 1. 00 17.55 C
ATOM 1664 CD2 LEU A 223 3.637 15.419 24.425 1. 00 15.10 C
ATOM 1665 N ARG A 224 6.909 11.676 24.602 1. 00 14.24 N
ATOM 1666 CA ARG A 224 7.294 10.860 23.435 1. 00 15.80 C
ATOM 1667 C ARG A 224 6.108 10.058 22.890 1. 00 16.64 C
ATOM 1668 0 ARG A 224 5.233 9.659 23.643 1. 00 17.73 0
ATOM 1669 CB ARG A 224 8.477 9.936 23.796 1. 00 14.18 C
ATOM 1670 CG ARG A 224 9.536 10.585 24.661 1. 00 13 .43 C
ATOM 1671 CD ARG A 224 10.815 9.771 24.787 1. 00 18.10 C
ATOM 1672 NE ARG A 224 11.532 9.910 23.536 1. 00 18.53 N
ATOM 1673 CZ ARG A 224 12.517 10.770 23.302 1. 00 17.06 C
ATOM 1674 NH1 ARG A 224 13 . 039 11.522 24.270 1. 00 21.08 N
ATOM 1675 NH2 ARG A 224 13.003 10.848 22.076 1. 00 24.24 N
ATOM 1676 N ALA A 225 6.069 9.832 21.578 1. 00 15.77 N
ATOM 1677 CA ALA A 225 5.198 8.813 20.990 1. 00 15.54 C
ATOM 1678 C ALA A 225 5.730 7.445 21.372 1. 00 13.00 C
ATOM 1679 0 ALA A 225 6.951 7.259 21.464 1. 00 17.44 0
ATOM 1680 CB ALA A 225 5.173 8.956 19.456 1. 00 18.90 C
ATOM 1681 N VAL A 226 4.827 6.506 21.632 1. 00 14.24 N
ATOM 1682 CA VAL A 226 5.241 5.159 22.057 1. 00 18.14 C
ATOM 1683 C VAL A 226 4.789 4.107 21.053 1. 00 18.47 C
ATOM 1684 0 VAL A 226 4.977 2.917 21.278 1. 00 22.24 0
ATOM 1685 CB VAL A 226 4.790 4.736 23.509 1. 00 18.52 C
ATOM 1686 CG1 VAL A 226 5.544 5.518 24.570 1. 00 14.53 C
ATOM 1687 CG2 VAL A 226 3.258 4.777 23.678 1. 00 20.50 C
ATOM 1688 N ARG A 227 4.183 4.569 19.965 1. 00 19.20 N
ATOM 1689 CA ARG A 227 3.875 3.742 18.800 1. 00 24.11 C
ATOM 1690 C ARG A 227 3.660 4.663 17.582 1. 00 20.79 C
ATOM 1691 0 ARG A 227 3.756 5.873 17.700 1. 00 18.32 0
ATOM 1692 CB ARG A 227 2.686 2.777 19.055 1. 00 24.66 C
ATOM 1693 CG ARG A 227 1. 429 3.400 19.615 1. 00 27.43 C
ATOM 1694 CD ARG A 227 0.207 2.497 19.495 1. 00 24.96 C
ATOM 1695 NE ARG A 227 -0.982 3.216 19.922 1. 00 32.72 N
ATOM 1696 CZ ARG A 227 -1.645 2.971 21.052 1. 00 24.88 C
ATOM 1697 NH1 ARG A 227 -1.259 1.995 21.839 1. 00 19.44 N
ATOM 1698 NH2 ARG A 227 -2.709 3.689 21.375 1. 00 24.87 N
ATOM 1699 N ASP A 228 3.406 4.092 16.406 1. 00 21.04 N
ATOM 1700 CA ASP A 228 3.140 4.892 15.226 1. 00 21.07 C
ATOM 1701 C ASP A 228 1.812 5.601 15.326 1. 00 20.46 C
ATOM 1702 0 ASP A 228 0.815 5.032 15.749 1. 00 21.92 0
ATOM 1703 CB ASP A 228 3.152 4.023 13.959 1. 00 27.05 C
ATOM 1704 CG ASP A 228 4.539 3.531 13.607 1. 00 23.32 C

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Figure IA-32

Atom Type Residue # X Y Z Oee B Type

ATOM 1705 OD1 ASP A 228 5.355 4.348 13 .161 1. 00 28.62 0
ATOM 1706 OD2 ASP A 228 4.804 2.336 13.796 1. 00 36.37 0
ATOM 1707 N ILE A 229 1.816 6.858 14.923 1. 00 20.04 N
ATOM 1708 CA ILE A 229 0.687 7.750 15.058 1. 00 21.63 C
ATOM 1709 C ILE A 229 0.506 8.479 13.707 1. 00 23.45 C
ATOM 1710 0 ILE A 229 1. 458 8.914 13 .121 1. 00 20.79 0
ATOM 1711 CB ILE A 229 0.918 8.769 16.199 1. 00 18.53 C
ATOM 1712 CG1 ILE A 229 1.198 8.046 17.552 1. 00 19.01 C
ATOM 1713 CD1 ILE A 229 1.597 9.004 18.693 1. 00 20.09 C
ATOM 1714 CG2 ILE A 229 -0.234 9.706 16.303 1. 00 18.71 C
ATOM 1715 N GLU A 230 -0.734 8.610 13.263 1. 00 27.47 N
ATOM 1716 CA GLU A 230 -1.088 9.185 11.963 1. 00 31.14 C
ATOM 1717 C GLU A 230 -1.339 10.682 12.082 1. 00 30.01 C
ATOM 1718 0 GLU A 230 -1.708 11 .155 13 .157 1. 00 26.63 0
ATOM 1719 CB GLU A 230 -2.359 8.494 11.471 1. 00 28.28 C
ATOM 1720 CG GLU A 230 -2.184 7.037 11.119 1. 00 34.99 C
ATOM 1721 CD GLU A 230 -3.519 6.361 10.782 1. 00 40.65 C
ATOM 1722 OE1 GLU A 230 -4.442 7.055 10.286 1. 00 52.59 0
ATOM 1723 OE2 GLU A 230 -3.649 5.137 11.019 1. 00 57.69 0
ATOM 1724 N VAL A 231 -1.124 11.444 11.003 1. 00 27.55 N
ATOM 1725 CA VAL A 231 -1.545 12.851 10.986 1. 00 28.84 C
ATOM 1726 C VAL A 231 -2.994 12.973 11.431 1. 00 27.62 C
ATOM 1727 0 VAL A 231 -3.852 12.199 10.996 1. 00 26.44 0
ATOM 1728 CB VAL A 231 -1.387 13.538 9.575 1. 00 31.17 C
ATOM 1729 CG1 VAL A 231 -2.032 14.893 9.567 1. 00 33.35 C
ATOM 1730 CG2 VAL A 231 0.072 13.681 9.192 1. 00 36.64 C
ATOM 1731 N GLY A 232 -3.240 13.916 12.335 1. 00 27.08 N
ATOM 1732 CA GLY A 232 -4.576 14.203 12.862 1. 00 29.30 C
ATOM 1733 C GLY A 232 -5.042 13.370 14.049 1. 00 28.74 C
ATOM 1734 0 GLY A 232 -6.085 13.649 14.642 1. 00 30.18 0
ATOM 1735 N GLU A 233 -4.284 12.334 14.390 1. 00 27.80 N
ATOM 1736 CA GLU A 233 -4.672 11.446 15.466 1. 00 25.43 C
ATOM 1737 C GLU A 233 -4.514 12.149 16.829 1. 00 20.64 C
ATOM 1738 0 GLU A 233 -3.531 12.866 17.077 1. 00 20.74 0
ATOM 1739 CB GLU A 233 -3.844 10.160 15.415 1. 00 25.49 C
ATOM 1740 CG GLU A 233 -4.335 9.022 16.290 1. 00 29.41 C
ATOM 1741 CD GLU A 233 -3.417 7.790 16.262 1. 00 25.92 C
ATOM 1742 OE1 GLU A 233 -2.880 7.457 15.183 1. 00 27.71 0
ATOM 1743 OE2 GLU A 233 -3.242 7.136 17.333 1. 00 32.31 0
ATOM 1744 N GLU A 234 -5.471 11.920 17.708 1. 00 18.72 N
ATOM 1745 CA GLU A 234 -5.382 12.490 19.044 1. 00 19.43 C
ATOM 1746 C GLU A 234 -4.258 11.820 19.832 1. 00 20.03 C
ATOM 1747 0 GLU A 234 -4.096 10.595 19.814 1. 00 19.91 0
ATOM 1748 CB GLU A 234 -6.706 12.414 19.807 1. 00 18.06 C
ATOM 1749 CG GLU A 234 -6.645 13.205 21.080 1. 00 16.36 C
ATOM 1750 CD GLU A 234 -7.941 13.269 21.870 1. 00 28.51 C
ATOM 1751 OE1 GLU A 234 -8.962 12.724 21.438 1. 00 32.36 0
ATOM 1752 OE2 GLU A 234 -7.940 13 . 924 22.921 1. 00 25.33 0
ATOM 1753 N LEU A 235 -3.458 12.657 20.490 1. 00 20.68 N
ATOM 1754 CA LEU A 235 -2.392 12.196 21.362 1. 00 17.83 C
ATOM 1755 C LEU A 235 -2.928 12.039 22.799 1. 00 14.92 C
ATOM 1756 0 LEU A 235 -3.590 12.922 23.311 1. 00 17.85 0
ATOM 1757 CB LEU A 235 -1.218 13 .172 21.340 1. 00 12.42 C
ATOM 1758 CG LEU A 235 -0.655 13.511 19.964 1. 00 13 .14 C
ATOM 1759 CD1 LEU A 235 0.385 14.614 20.133 1. 00 18.19 C

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Figure IA-33

Atom Type Residue # X Y Z Oee B Type

ATOM 1760 CD2 LEU A 235 -0.037 12.283 19.265 1. 00 17.16 C
ATOM 1761 N THR A 236 -2.642 10.896 23.399 1. 00 15.47 N
ATOM 1762 CA THR A 236 -3.114 10.570 24.725 1. 00 15.27 C
ATOM 1763 C THR A 236 -1.992 10.030 25.580 1. 00 13.98 C
ATOM 1764 0 THR A 236 -1.007 9.493 25.074 1. 00 16.34 0
ATOM 1765 CB THR A 236 -4.245 9.495 24.696 1. 00 16.98 C
ATOM 1766 OG1 THR A 236 -3.752 8.295 24.066 1. 00 18.06 0
ATOM 1767 CG2 THR A 236 -5.504 9.996 23.980 1. 00 18.59 C
ATOM 1768 N ILE A 237 -2.178 10.150 26.884 1. 00 13 .15 N
ATOM 1769 CA ILE A 237 -1.309 9.528 27.872 1. 00 14.07 C
ATOM 1770 C ILE A 237 -2.203 8.850 28.861 1. 00 12.22 C
ATOM 1771 0 ILE A 237 -3.398 9.144 28.921 1. 00 14.56 0
ATOM 1772 CB ILE A 237 -0.335 10.521 28.604 1. 00 10.90 C
ATOM 1773 CG1 ILE A 237 -1.086 11.616 29.364 1. 00 17.17 C
ATOM 1774 CD1 ILE A 237 -0.117 12.575 30.052 1. 00 17.72 C
ATOM 1775 CG2 ILE A 237 0.764 11.060 27.647 1. 00 12.13 C
ATOM 1776 N CYS A 238 -1.647 7.901 29.590 1. 00 15.16 N
ATOM 1777 CA CYS A 238 -2.391 7.271 30.648 1. 00 15.96 C
ATOM 1778 C CYS A 238 -2.166 8.025 31.967 1. 00 13.69 C
ATOM 1779 0 CYS A 238 -1.031 8.089 32.457 1. 00 14.41 0
ATOM 1780 CB CYS A 238 -1.995 5.812 30.788 1. 00 16.48 C
ATOM 1781 SG CYS A 238 -3.052 4.934 31.943 1. 00 15.54 S
ATOM 1782 N TYR A 239 -3.240 8.535 32.557 1. 00 11.49 N
ATOM 1783 CA TYR A 239 -3.126 9.260 33.844 1. 00 12.30 C
ATOM 1784 C TYR A 239 -2.780 8.368 35.063 1. 00 17.11 C
ATOM 1785 0 TYR A 239 -2.396 8.892 36.095 1. 00 13.71 0
ATOM 1786 CB TYR A 239 -4.391 10.028 34.191 1. 00 13.71 C
ATOM 1787 CG TYR A 239 -4.778 11.170 33.263 1. 00 14.52 C
ATOM 1788 CD1 TYR A 239 -4.045 11.458 32.106 1. 00 12.28 C
ATOM 1789 CE1 TYR A 239 -4.445 12.483 31.244 1. 00 14.22 C
ATOM 1790 CZ TYR A 239 -5.611 13.210 31.532 1. 00 13.72 C
ATOM 1791 OH TYR A 239 -6.018 14.214 30.691 1. 00 14.36 0
ATOM 1792 CE2 TYR A 239 -6.345 12.935 32.670 1. 00 14.35 C
ATOM 1793 CD2 TYR A 239 -5.938 11.892 33.505 1. 00 13.08 C
ATOM 1794 N LEU A 240 -2.943 7.045 34.924 1. 00 12.95 N
ATOM 1795 CA LEU A 240 -2.975 6.126 36.028 1. 00 12.29 C
ATOM 1796 C LEU A 240 -1.879 5.074 36.005 1. 00 13.67 C
ATOM 1797 0 LEU A 240 -1.369 4.708 34.935 1. 00 16.53 0
ATOM 1798 CB LEU A 240 -4.336 5.400 36.003 1. 00 15.57 C
ATOM 1799 CG LEU A 240 -5.592 6.275 36.062 1. 00 18.23 C
ATOM 1800 CD1 LEU A 240 -6.857 5.425 35.888 1. 00 14.90 C
ATOM 1801 CD2 LEU A 240 -5.659 7.120 37.316 1. 00 18.98 C
ATOM 1802 N ASP A 241 -1.546 4.572 37.203 1. 00 15.09 N
ATOM 1803 CA ASP A 241 -0.855 3.290 37.403 1. 00 15.62 C
ATOM 1804 C ASP A 241 -1.478 2.150 36.541 1. 00 13.51 C
ATOM 1805 0 ASP A 241 -2.690 1.983 36.466 1. 00 13.75 0
ATOM 1806 CB ASP A 241 -0.826 2.980 38.927 1. 00 14.85 C
ATOM 1807 CG ASP A 241 -0.338 1.558 39.304 1. 00 28.74 C
ATOM 1808 OD1 ASP A 241 0.458 0.894 38.604 1. 00 30.70 0
ATOM 1809 OD2 ASP A 241 -0.777 1.117 40.398 1. 00 44.54 0
ATOM 1810 N MET A 242 -0.622 1. 450 35.808 1. 00 15.33 N
ATOM 1811 CA MET A 242 -1.046 0.287 35.010 1. 00 15.02 C
ATOM 1812 C MET A 242 -1.646 -0.875 35.853 1. 00 13.98 C
ATOM 1813 0 MET A 242 -2.443 -1.656 35.358 1. 00 17.57 0
ATOM 1814 CB MET A 242 0.070 -0.207 34.088 1. 00 16.17 C

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Figure IA-34

Atom Type Residue # X Y Z Oee B Type

ATOM 1815 CG MET A 242 0.540 0.805 32.990 1. 00 15.35 C
ATOM 1816 SD MET A 242 -0.799 1.575 32.106 1. 00 21. 40 S
ATOM 1817 CE MET A 242 -1.624 0.137 31.466 1. 00 25.09 C
ATOM 1818 N LEU A 243 -1.243 -0.983 37.108 1. 00 14.58 N
ATOM 1819 CA LEU A 243 -1.651 -2.108 37.950 1. 00 14.51 C
ATOM 1820 C LEU A 243 -2.923 -1.744 38.701 1. 00 11.94 C
ATOM 1821 0 LEU A 243 -2.902 -1.553 39.906 1. 00 16.24 0
ATOM 1822 CB LEU A 243 -0.526 -2.558 38.876 1. 00 15.80 C
ATOM 1823 CG LEU A 243 0.814 -2.959 38.217 1. 00 15.31 C
ATOM 1824 CD1 LEU A 243 1.731 -3.447 39.282 1. 00 13.83 C
ATOM 1825 CD2 LEU A 243 0.666 -3.986 37.098 1. 00 11.88 C
ATOM 1826 N MET A 244 -4.013 -1.620 37.932 1. 00 13.73 N
ATOM 1827 CA MET A 244 -5.340 -1.207 38.393 1. 00 13.59 C
ATOM 1828 C MET A 244 -6.378 -1.901 37.479 1. 00 14.69 C
ATOM 1829 0 MET A 244 -6.247 -1.953 36.256 1. 00 18.77 0
ATOM 1830 CB MET A 244 -5.538 0.339 38.336 1. 00 13 .33 C
ATOM 1831 CG MET A 244 -4.656 1. 200 39.239 1. 00 12.11 C
ATOM 1832 SD MET A 244 -5.010 2.946 38.981 1. 00 18.77 S
ATOM 1833 CE MET A 244 -6.606 3.030 39.805 1. 00 13.65 C
ATOM 1834 N THR A 245 -7.406 -2.440 38.092 1. 00 15.81 N
ATOM 1835 CA THR A 245 -8.506 -3.043 37.362 1. 00 17.03 C
ATOM 1836 C THR A 245 -9.368 -1.959 36.743 1. 00 14.03 C
ATOM 1837 0 THR A 245 -9.279 -0.758 37.117 1. 00 15.33 0
ATOM 1838 CB THR A 245 -9.390 -3.849 38.351 1. 00 16.68 C
ATOM 1839 OG1 THR A 245 -10.008 -2.946 39.246 1. 00 15.85 0
ATOM 1840 CG2 THR A 245 -8.582 -4.833 39.171 1. 00 18.20 C
ATOM 1841 N SER A 246 -10.210 -2.341 35.797 1. 00 17.02 N
ATOM 1842 CA SER A 246 -11.077 -1.366 35.151 1. 00 16.63 C
ATOM 1843 C SER A 246 -12.007 -0.668 36.173 1. 00 14.74 C
ATOM 1844 0 SER A 246 -12.250 0.525 36.045 1. 00 15.59 0
ATOM 1845 CB SER A 246 -11.867 -1.995 33.979 1. 00 17.55 C
ATOM 1846 OG SER A 246 -12.776 -2.936 34.473 1. 00 19.69 0
ATOM 1847 N GLU A 247 -12.521 -1.400 37.175 1. 00 17.20 N
ATOM 1848 CA GLU A 247 -13.348 -0.774 38.195 1. 00 17.28 C
ATOM 1849 C GLU A 247 -12.545 0.265 38.993 1. 00 15.00 C
ATOM 1850 0 GLU A 247 -13.031 1. 338 39.280 1. 00 18.51 0
ATOM 1851 CB GLU A 247 -13.992 -1.792 39.126 1. 00 16.26 C
ATOM 1852 N GLU A 248 -11.297 -0.042 39.284 1. 00 16.68 N
ATOM 1853 CA GLU A 248 -10.468 0.890 40.018 1. 00 16.80 C
ATOM 1854 C GLU A 248 -10.127 2.153 39.195 1. 00 14.68 C
ATOM 1855 0 GLU A 248 -10.176 3.285 39.725 1. 00 17.43 0
ATOM 1856 CB GLU A 248 -9.213 0.191 40.507 1. 00 14.91 C
ATOM 1857 CG GLU A 248 -9.445 -0.861 41.581 1. 00 19.24 C
ATOM 1858 CD GLU A 248 -8.181 -1.646 41.930 1. 00 20.09 C
ATOM 1859 OE1 GLU A 248 -7.303 -1.868 41.066 1. 00 17.91 0
ATOM 1860 OE2 GLU A 248 -8.069 -2.066 43.087 1. 00 22.49 0
ATOM 1861 N ARG A 249 -9.790 1.950 37.921 1. 00 13 .29 N
ATOM 1862 CA ARG A 249 -9.494 3.051 37.033 1. 00 15.62 C
ATOM 1863 C ARG A 249 -10.696 3.962 36.868 1. 00 14.93 C
ATOM 1864 0 ARG A 249 -10.592 5.203 36.983 1. 00 14.20 0
ATOM 1865 CB ARG A 249 -9.000 2.530 35.665 1. 00 12.13 C
ATOM 1866 CG ARG A 249 -7.716 1.774 35.759 1. 00 12.76 C
ATOM 1867 CD ARG A 249 -7.045 1.544 34.395 1. 00 15.59 C
ATOM 1868 NE ARG A 249 -7.949 1.023 33.389 1. 00 15.75 N
ATOM 1869 CZ ARG A 249 -8.195 -0.261 33.167 1. 00 13.52 C

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Figure IA-35

Atom Type Residue # X Y Z Oee B Type

ATOM 1870 NH1 ARG A 249 -7.599 -1.199 33.896 1. 00 14.72 N
ATOM 1871 NH2 ARG A 249 -9.032 -0.601 32.180 1. 00 15.54 N
ATOM 1872 N ARG A 250 -11.842 3.351 36.644 1. 00 18.00 N
ATOM 1873 CA ARG A 250 -13.082 4.093 36.489 1. 00 18.79 C
ATOM 1874 C ARG A 250 -13.434 4.950 37.698 1. 00 16.66 C
ATOM 1875 0 ARG A 250 -13.854 6.098 37.536 1. 00 19.51 0
ATOM 1876 CB ARG A 250 -14.217 3.159 36.096 1. 00 18.02 C
ATOM 1877 CG ARG A 250 -14.179 2.843 34.589 1. 00 26.99 C
ATOM 1878 CD ARG A 250 -15.437 2.128 34.123 1. 00 32.58 C
ATOM 1879 NE ARG A 250 -15.696 2.381 32.706 1. 00 45.79 N
ATOM 1880 CZ ARG A 250 -16.441 1.607 31.915 1. 00 49.00 C
ATOM 1881 NH1 ARG A 250 -17.023 0.507 32.392 1. 00 45.28 N
ATOM 1882 NH2 ARG A 250 -16.605 1.932 30.634 1. 00 45.44 N
ATOM 1883 N LYS A 251 -13.214 4.414 38.892 1. 00 20.68 N
ATOM 1884 CA LYS A 251 -13.437 5.146 40.141 1. 00 19.23 C
ATOM 1885 C LYS A 251 -12.521 6.370 40.278 1. 00 19.10 C
ATOM 1886 0 LYS A 251 -12.995 7.504 40.527 1. 00 18.47 0
ATOM 1887 CB LYS A 251 -13.296 4.204 41.339 1. 00 18.82 C
ATOM 1888 CG LYS A 251 -13.611 4.888 42.642 1. 00 25.37 C
ATOM 1889 CD LYS A 251 -13.712 3.929 43.806 1. 00 42.32 C
ATOM 1890 CE LYS A 251 -13.665 4.682 45.139 1. 00 48.70 C
ATOM 1891 NZ LYS A 251 -14.699 5.754 45.251 1. 00 50.40 N
ATOM 1892 N GLN A 252 -11.218 6.171 40.050 1. 00 14.89 N
ATOM 1893 CA GLN A 252 -10.294 7.251 40.142 1. 00 15.25 C
ATOM 1894 C GLN A 252 -10.541 8.356 39.097 1. 00 16.24 C
ATOM 1895 0 GLN A 252 -10.447 9.558 39.409 1. 00 18.53 0
ATOM 1896 CB BGLN A 252 -8.861 6.698 40.023 0.35 16.09 C
ATOM 1897 CB AGLN A 252 -8.824 6.793 40.124 0.65 17.43 C
ATOM 1898 CG BGLN A 252 -7.763 7.662 40.445 0.35 16.89 C
ATOM 1899 CG AGLN A 252 -7.922 7.920 40.612 0.65 23.03 C
ATOM 1900 CD BGLN A 252 -7.855 8.085 41.905 0.35 21.97 C
ATOM 1901 CD AGLN A 252 -6.447 7.596 40.626 0.65 30.99 C
ATOM 1902 OE1BGLN A 252 -8.148 7.277 42.786 0.35 17.08 0
ATOM 1903 OE1AGLN A 252 -6.047 6.453 40.798 0.65 26.46 0
ATOM 1904 NE2BGLN A 252 -7.598 9.365 42.162 0.35 18.98 N
ATOM 1905 NE2AGLN A 252 -5.624 8.623 40.439 0.65 33.56 N
ATOM 1906 N LEU A 253 -10.875 7.954 37.882 1. 00 16.64 N
ATOM 1907 CA LEU A 253 -11.071 8.889 36.800 1. 00 18.66 C
ATOM 1908 C LEU A 253 -12.337 9.698 37.064 1. 00 18.38 C
ATOM 1909 0 LEU A 253 -12.383 10.887 36.828 1. 00 18.81 0
ATOM 1910 CB LEU A 253 -11.098 8.158 35.439 1. 00 17.78 C
ATOM 1911 CG LEU A 253 -9.751 7.559 35.029 1. 00 11.80 C
ATOM 1912 CD1 LEU A 253 - 9.916 6.741 33.773 1. 00 16.13 C
ATOM 1913 CD2 LEU A 253 -8.611 8.579 34.879 1. 00 14.16 C
ATOM 1914 N ARG A 254 -13.356 9.039 37.594 1. 00 20.54 N
ATOM 1915 CA ARG A 254 -14.566 9.718 38.017 1. 00 20.63 C
ATOM 1916 C ARG A 254 -14.291 10.680 39.190 1. 00 22.03 C
ATOM 1917 0 ARG A 254 -14.604 11.868 39.105 1. 00 23.98 0
ATOM 1918 CB ARG A 254 -15.643 8.659 38.325 1. 00 22.21 C
ATOM 1919 CG ARG A 254 -16.935 9.135 38.999 1. 00 34.57 C
ATOM 1920 CD ARG A 254 -17.424 10.508 38.549 1. 00 47.83 C
ATOM 1921 NE ARG A 254 -17.725 10.565 37.121 1. 00 52.94 N
ATOM 1922 CZ ARG A 254 -18.070 11.669 36.467 1. 00 47.86 C
ATOM 1923 NH1 ARG A 254 -18.322 11.602 35.171 1. 00 52.61 N
ATOM 1924 NH2 ARG A 254 -18.171 12.834 37.106 1. 00 54.15 N

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Figure IA-36

Atom Type Residue # X Y Z Oee B Type

ATOM 1925 N ASP A 255 -13.658 10.193 40.254 1. 00 21.63 N
ATOM 1926 CA ASP A 255 -13.499 10.970 41.478 1. 00 20.93 C
ATOM 1927 C ASP A 255 -12.521 12.132 41.342 1. 00 23.16 C
ATOM 1928 0 ASP A 255 -12.763 13.206 41.885 1. 00 25.84 0
ATOM 1929 CB ASP A 255 -13.091 10.073 42.670 1. 00 22.71 C
ATOM 1930 CG ASP A 255 -14.167 9.065 43.057 1. 00 27.75 C
ATOM 1931 OD1 ASP A 255 -15.317 9.153 42.578 1. 00 26.57 0
ATOM 1932 OD2 ASP A 255 -13.854 8.160 43.851 1. 00 34.43 0
ATOM 1933 N GLN A 256 -11.436 11.926 40.596 1. 00 19.26 N
ATOM 1934 CA GLN A 256 -10.425 12.909 40.456 1. 00 19.69 C
ATOM 1935 C GLN A 256 -10.560 13.726 39.179 1. 00 15.94 C
ATOM 1936 0 GLN A 256 -10.276 14.900 39.175 1. 00 19.64 0
ATOM 1937 CB GLN A 256 -9.036 12.274 40.562 1. 00 19.51 C
ATOM 1938 CG GLN A 256 -7.926 13.293 40.452 1. 00 20.57 C
ATOM 1939 CD GLN A 256 -6.569 12.692 40.524 1. 00 23.67 C
ATOM 1940 OE1 GLN A 256 -6.416 11.488 40.755 1. 00 19.49 0
ATOM 1941 NE2 GLN A 256 -5.572 13.506 40.315 1. 00 18.94 N
ATOM 1942 N TYR A 257 -10.979 13 .107 38.094 1. 00 14.58 N
ATOM 1943 CA TYR A 257 -10.966 13.778 36.792 1. 00 14.29 C
ATOM 1944 C TYR A 257 -12.330 14.119 36.195 1. 00 12.97 C
ATOM 1945 0 TYR A 257 -12.424 14.668 35.097 1. 00 18.85 0
ATOM 1946 CB TYR A 257 -10.137 12.968 35.789 1. 00 13 .16 C
ATOM 1947 CG TYR A 257 -8.670 12.908 36.150 1. 00 11.64 C
ATOM 1948 CD1 TYR A 257 -7.822 13.971 35.829 1. 00 16.59 C
ATOM 1949 CE1 TYR A 257 -6.473 13.938 36.173 1. 00 19.37 C
ATOM 1950 CZ TYR A 257 -5.964 12.811 36.851 1. 00 12.34 C
ATOM 1951 OH TYR A 257 -4.613 12.789 37.117 1. 00 16.03 0
ATOM 1952 CE2 TYR A 257 -6.767 11.735 37.135 1. 00 15.46 C
ATOM 1953 CD2 TYR A 257 -8.129 11.785 36.790 1. 00 18.67 C
ATOM 1954 N CYS A 258 -13.378 13.819 36.929 1. 00 17.63 N
ATOM 1955 CA CYS A 258 -14.731 14.083 36.478 1. 00 19.95 C
ATOM 1956 C CYS A 258 -15.115 13.513 35.103 1. 00 18.86 C
ATOM 1957 0 CYS A 258 -15.781 14.185 34.318 1. 00 21.71 0
ATOM 1958 CB CYS A 258 -15.037 15.595 36.591 1. 00 19.76 C
ATOM 1959 SG CYS A 258 -15.001 16.147 38.290 1. 00 23.59 S
ATOM 1960 N PHE A 259 -14.693 12.287 34.798 1. 00 20.15 N
ATOM 1961 CA PHE A 259 -15.177 11.618 33.584 1. 00 19.79 C
ATOM 1962 C PHE A 259 -15.320 10.103 33.736 1. 00 19.29 C
ATOM 1963 0 PHE A 259 -14.716 9.501 34.614 1. 00 14.89 0
ATOM 1964 CB PHE A 259 -14.361 12.014 32.321 1. 00 18.74 C
ATOM 1965 CG PHE A 259 -13.003 11.358 32.224 1. 00 15.19 C
ATOM 1966 CD1 PHE A 259 -12.833 10.172 31.503 1. 00 18.65 C
ATOM 1967 CE1 PHE A 259 -11.586 9.586 31.379 1. 00 19.86 C
ATOM 1968 CZ PHE A 259 -10.478 10.152 31.993 1. 00 13.69 C
ATOM 1969 CE2 PHE A 259 -10.621 11.335 32.718 1. 00 21.77 C
ATOM 1970 CD2 PHE A 259 -11.900 11.930 32.831 1. 00 16.52 C
ATOM 1971 N GLU A 260 -16.185 9.521 32.915 1. 00 20.39 N
ATOM 1972 CA GLU A 260 -16.302 8.065 32.771 1. 00 21.91 C
ATOM 1973 C GLU A 260 -15.421 7.633 31.619 1. 00 21. 34 C
ATOM 1974 0 GLU A 260 -15.604 8.072 30.467 1. 00 20.45 0
ATOM 1975 CB GLU A 260 -17.757 7.662 32.481 1. 00 27.82 C
ATOM 1976 CG GLU A 260 -18.788 8.241 33.477 1. 00 38.33 C
ATOM 1977 CD GLU A 260 -18.581 7.744 34.899 1. 00 50.05 C
ATOM 1978 OE1 GLU A 260 -18.681 8.573 35.832 1. 00 49.65 0
ATOM 1979 OE2 GLU A 260 -18.306 6.531 35.080 1. 00 55.62 0

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Figure IA-37

Atom Type Residue # X Y Z Oee B Type

ATOM 1980 N CYS A 261 -14.440 6.786 31.906 1. 00 19.34 N
ATOM 1981 CA CYS A 261 -13.592 6.309 30.840 1. 00 20.85 C
ATOM 1982 C CYS A 261 -14.313 5.256 29.990 1. 00 20.65 C
ATOM 1983 0 CYS A 261 -14.744 4.253 30.505 1. 00 20.72 0
ATOM 1984 CB CYS A 261 -12.275 5.721 31. 354 1. 00 15.30 C
ATOM 1985 SG CYS A 261 -11.179 5.546 29.989 1. 00 20.77 S
ATOM 1986 N ASP A 262 -14.369 5.521 28.690 1. 00 22.86 N
ATOM 1987 CA ASP A 262 -15.053 4.664 27.702 1. 00 26.59 C
ATOM 1988 C ASP A 262 -14.076 4.059 26.739 1. 00 23.94 C
ATOM 1989 0 ASP A 262 -14.447 3.675 25.620 1. 00 24.65 0
ATOM 1990 CB ASP A 262 -16.052 5.517 26.894 1. 00 26.42 C
ATOM 1991 CG ASP A 262 -15.368 6.624 26.055 1. 00 34.73 C
ATOM 1992 OD1 ASP A 262 -14.139 6.833 26.148 1. 00 32.04 0
ATOM 1993 OD2 ASP A 262 -16.065 7.293 25.271 1. 00 39.78 0
ATOM 1994 N CYS A 263 -12.812 3.970 27.148 1. 00 23.89 N
ATOM 1995 CA CYS A 263 -11.768 3.411 26.276 1. 00 19.43 C
ATOM 1996 C CYS A 263 -12.007 1.911 26.063 1. 00 16.47 C
ATOM 1997 0 CYS A 263 -12.734 1. 287 26.816 1. 00 15.46 0
ATOM 1998 CB CYS A 263 -10.370 3.659 26.878 1. 00 16.99 C
ATOM 1999 SG CYS A 263 -9.864 2.488 28.146 1. 00 22.58 S
ATOM 2000 N PHE A 264 -11.401 1. 349 25.033 1. 00 15.68 N
ATOM 2001 CA PHE A 264 -11.555 -0.077 24.770 1. 00 18.07 C
ATOM 2002 C PHE A 264 -11.314 -1.011 25.988 1. 00 16.91 C
ATOM 2003 0 PHE A 264 -12.102 -1.918 26.266 1. 00 17.50 0
ATOM 2004 CB PHE A 264 -10.658 -0.504 23.625 1. 00 17.77 C
ATOM 2005 CG PHE A 264 -10.780 -1.948 23.318 1. 00 16.76 C
ATOM 2006 CD1 PHE A 264 -11.798 -2.405 22.471 1. 00 19.58 C
ATOM 2007 CE1 PHE A 264 -11.920 -3.781 22.195 1. 00 20.64 C
ATOM 2008 CZ PHE A 264 -11.054 -4.677 22.762 1. 00 20.63 C
ATOM 2009 CE2 PHE A 264 -10.030 -4.240 23.620 1. 00 22.75 C
ATOM 2010 CD2 PHE A 264 -9.902 -2.882 23.890 1. 00 23.04 C
ATOM 2011 N ARG A 265 -10.218 -0.764 26.707 1. 00 20.32 N
ATOM 2012 CA ARG A 265 -9.871 -1.521 27.924 1. 00 18.29 C
ATOM 2013 C ARG A 265 -10.881 -1.489 29.050 1. 00 18.98 C
ATOM 2014 0 ARG A 265 -11.159 -2.530 29.658 1. 00 20.72 0
ATOM 2015 CB ARG A 265 -8.491 -1.119 28.448 1. 00 15.29 C
ATOM 2016 CG ARG A 265 -7.403 -1.483 27.487 1. 00 20.42 C
ATOM 2017 CD ARG A 265 -6.053 -1.488 28.123 1. 00 15.66 C
ATOM 2018 NE ARG A 265 -5.982 -2.423 29.210 1. 00 13 .13 N
ATOM 2019 CZ ARG A 265 -5.504 -2.148 30.413 1. 00 18.42 C
ATOM 2020 NH1 ARG A 265 -5.070 -0.922 30.688 1. 00 18.72 N
ATOM 2021 NH2 ARG A 265 -5.477 -3.097 31.335 1. 00 18.84 N
ATOM 2022 N CYS A 266 -11.400 -0.312 29.347 1. 00 17.06 N
ATOM 2023 CA CYS A 266 -12.438 -0.186 30.344 1. 00 17.31 C
ATOM 2024 C CYS A 266 -13.741 -0.850 29.918 1. 00 15.10 C
ATOM 2025 0 CYS A 266 -14.389 -1.459 30.730 1. 00 16.15 0
ATOM 2026 CB CYS A 266 -12.681 1. 274 30.695 1. 00 17.33 C
ATOM 2027 SG CYS A 266 -11.278 1.940 31.690 1. 00 18.83 S
ATOM 2028 N GLN A 267 -14.117 -0.702 28.651 1. 00 18.54 N
ATOM 2029 CA GLN A 267 -15.378 -1.242 28.171 1. 00 17.52 C
ATOM 2030 C GLN A 267 -15.371 -2.785 28.217 1. 00 19.63 C
ATOM 2031 0 GLN A 267 -16.398 -3.408 28.482 1. 00 24.12 0
ATOM 2032 CB GLN A 267 -15.689 -0.737 26.775 1. 00 16.83 C
ATOM 2033 CG GLN A 267 -16.218 0.706 26.752 1. 00 21.78 C
ATOM 2034 CD GLN A 267 -17.067 0.977 25.528 1. 00 14.12 C

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Figure IA-38

Atom Type Residue # X Y Z Oee B Type

ATOM 2035 OE1 GLN A 267 -17.955 0.182 25.200 1. 00 17.85 0
ATOM 2036 NE2 GLN A 267 -16.806 2.096 24.851 1. 00 22.00 N
ATOM 2037 N THR A 268 -14.213 -3.381 28.010 1. 00 20.17 N
ATOM 2038 CA THR A 268 -14.099 -4.836 27.836 1. 00 21.04 C
ATOM 2039 C THR A 268 -13.402 -5.525 29.006 1. 00 21.64 C
ATOM 2040 0 THR A 268 -12.970 -6.648 28.881 1. 00 21. 39 0
ATOM 2041 CB THR A 268 -13.283 -5.178 26.544 1. 00 18.83 C
ATOM 2042 OG1 THR A 268 -11.957 -4.650 26.650 1. 00 19.41 0
ATOM 2043 CG2 THR A 268 -13.963 -4.672 25.294 1. 00 18.33 C
ATOM 2044 N GLN A 269 -13.260 -4.811 30.121 1. 00 22.47 N
ATOM 2045 CA GLN A 269 -12.571 -5.301 31. 317 1. 00 23.10 C
ATOM 2046 C GLN A 269 -11.211 -5.911 31.000 1. 00 19.68 C
ATOM 2047 0 GLN A 269 -10.842 -6.908 31.562 1. 00 19.76 0
ATOM 2048 CB GLN A 269 -13.442 -6.279 32.113 1. 00 21. 41 C
ATOM 2049 CG GLN A 269 -14.740 -5.707 32.553 1. 00 25.12 C
ATOM 2050 CD GLN A 269 -15.789 -5.664 31.425 1. 00 35.70 C
ATOM 2051 OE1 GLN A 269 -15.948 -6.622 30.660 1. 00 41.05 0
ATOM 2052 NE2 GLN A 269 -16.514 -4.561 31.341 1. 00 35.61 N
ATOM 2053 N ASP A 270 -10.476 -5.278 30.097 1. 00 18.13 N
ATOM 2054 CA ASP A 270 -9.226 -5.827 29.589 1. 00 20.18 C
ATOM 2055 C ASP A 270 -8.201 -6.114 30.675 1. 00 18.76 C
ATOM 2056 0 ASP A 270 -7.773 -5.197 31.365 1. 00 21.88 0
ATOM 2057 CB ASP A 270 -8.625 -4.892 28.547 1. 00 18.51 C
ATOM 2058 CG ASP A 270 -7.400 -5.486 27.848 1. 00 23.41 C
ATOM 2059 OD1 ASP A 270 -7.530 -6.490 27.115 1. 00 23.60 0
ATOM 2060 OD2 ASP A 270 -6.303 -4.935 28.008 1. 00 19.37 0
ATOM 2061 N LYS A 271 -7.826 -7.398 30.790 1. 00 18.45 N
ATOM 2062 CA LYS A 271 -6.821 -7.941 31.756 1. 00 19.18 C
ATOM 2063 C LYS A 271 -7.269 -8.078 33.210 1. 00 17.10 C
ATOM 2064 0 LYS A 271 -6.461 -8.394 34.074 1. 00 20.45 0
ATOM 2065 CB LYS A 271 -5.472 -7.210 31.686 1. 00 17.90 C
ATOM 2066 CG LYS A 271 -4.847 -7.231 30.312 1. 00 20.83 C
ATOM 2067 CD LYS A 271 -3.509 -6.532 30.264 1. 00 25.69 C
ATOM 2068 CE LYS A 271 -3.024 -6.377 28.809 1. 00 23.01 C
ATOM 2069 NZ LYS A 271 -3.632 -5.157 28.143 1. 00 24.87 N
ATOM 2070 N ASP A 272 -8.528 -7.825 33.479 1. 00 19.25 N
ATOM 2071 CA ASP A 272 -9.030 -7.810 34.865 1. 00 17.01 C
ATOM 2072 C ASP A 272 -8.876 -9.209 35.456 1. 00 18.87 C
ATOM 2073 0 ASP A 272 -8.496 -9.346 36.592 1. 00 18.92 0
ATOM 2074 CB ASP A 272 -10.500 -7.419 34.926 1. 00 19.04 C
ATOM 2075 CG ASP A 272 -10.753 -5.910 34.881 1. 00 14.74 C
ATOM 2076 OD1 ASP A 272 -9.811 -5.099 34.822 1. 00 18.13 0
ATOM 2077 OD2 ASP A 272 -11.942 -5.527 34.921 1. 00 22.01 0
ATOM 2078 N ALA A 273 -9.221 -10.240 34.682 1. 00 21.53 N
ATOM 2079 CA ALA A 273 -9.165 -11.644 35.154 1. 00 19.62 C
ATOM 2080 C ALA A 273 -7.764 -12.064 35.593 1. 00 17.51 C
ATOM 2081 0 ALA A 273 -7.599 -12.625 36.677 1. 00 21.79 0
ATOM 2082 CB ALA A 273 -9.739 -12.594 34.100 1. 00 20.04 C
ATOM 2083 N ASP A 274 -6.744 -11.751 34.789 1. 00 19.25 N
ATOM 2084 CA ASP A 274 -5.354 -11.944 35.196 1. 00 19.35 C
ATOM 2085 C ASP A 274 -4.922 -11.136 36.408 1. 00 18.04 C
ATOM 2086 0 ASP A 274 -4.190 -11.645 37.242 1. 00 20.17 0
ATOM 2087 CB ASP A 274 -4.378 -11.734 34.037 1. 00 21. 40 C
ATOM 2088 CG ASP A 274 -4.343 -12.956 33.100 1. 00 32.09 C
ATOM 2089 OD1 ASP A 274 -3.727 -13.992 33.457 1. 00 40.58 0

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Figure IA-39

Atom Type Residue # X Y Z Oee B Type

ATOM 2090 OD2 ASP A 274 -5.006 -12.897 32.059 1. 00 38.80 0
ATOM 2091 N MET A 275 -5.367 -9.883 36.488 1. 00 16.47 N
ATOM 2092 CA MET A 275 -5.007 -8.999 37.601 1. 00 16.89 C
ATOM 2093 C MET A 275 -5.542 -9.549 38.929 1. 00 15.40 C
ATOM 2094 0 MET A 275 -4.899 -9.412 39.960 1. 00 15.91 0
ATOM 2095 CB MET A 275 -5.592 -7.588 37.380 1. 00 15.27 C
ATOM 2096 CG MET A 275 -4.965 -6.817 36.243 1. 00 14.82 C
ATOM 2097 SD MET A 275 -5.381 -5.033 36.246 1. 00 18.67 S
ATOM 2098 CE MET A 275 -4.322 -4.502 34.922 1. 00 26.54 C
ATOM 2099 N LEU A 276 -6.733 -10.152 38.868 1. 00 19.00 N
ATOM 2100 CA LEU A 276 -7.432 -10.674 40.053 1. 00 19.28 C
ATOM 2101 C LEU A 276 -7.317 -12.201 40.221 1. 00 18.60 C
ATOM 2102 0 LEU A 276 -8.134 -12.799 40.891 1. 00 22.04 0
ATOM 2103 CB LEU A 276 -8.904 -10.230 40.036 1. 00 17.37 C
ATOM 2104 CG LEU A 276 -9.140 -8.711 40.094 1. 00 18.82 C
ATOM 2105 CD1 LEU A 276 -10.630 -8.392 40.071 1. 00 16.53 C
ATOM 2106 CD2 LEU A 276 -8.373 -8.066 41.287 1. 00 15.50 C
ATOM 2107 N THR A 277 -6.254 -12.792 39.677 1. 00 19.10 N
ATOM 2108 CA THR A 277 -5.920 -14.224 39.883 1. 00 20.18 C
ATOM 2109 C THR A 277 -5.834 -14.635 41.348 1. 00 18.06 C
ATOM 2110 0 THR A 277 -5.219 -13.974 42.170 1. 00 17.74 0
ATOM 2111 CB THR A 277 -4.596 -14.620 39.169 1. 00 17.82 C
ATOM 2112 OG1 THR A 277 -4.730 -14.369 37.779 1. 00 19.52 0
ATOM 2113 CG2 THR A 277 -4.242 -16.137 39.394 1. 00 20.40 C
ATOM 2114 N GLY A 278 -6.455 -15.763 41.668 1. 00 19.07 N
ATOM 2115 CA GLY A 278 -6.442 -16.277 43.031 1. 00 19.13 C
ATOM 2116 C GLY A 278 -7.730 -15.933 43.741 1. 00 21. 28 C
ATOM 2117 0 GLY A 278 -8.645 -15.385 43.148 1. 00 24.34 0
ATOM 2118 N ASP A 279 -7.781 -16.219 45.035 1. 00 22.00 N
ATOM 2119 CA ASP A 279 -9.027 -16.134 45.803 1. 00 19.89 C
ATOM 2120 C ASP A 279 -9.198 -14.752 46.415 1. 00 19.49 C
ATOM 2121 0 ASP A 279 -8.352 -14.293 47.141 1. 00 19.70 0
ATOM 2122 CB ASP A 279 -8.945 -17.224 46.897 1. 00 21.03 C
ATOM 2123 CG ASP A 279 -10.283 -17.501 47.615 1. 00 28.46 C
ATOM 2124 OD1 ASP A 279 -11.344 -17.039 47.174 1. 00 44.63 0
ATOM 2125 OD2 ASP A 279 -10.236 -18.209 48.642 1. 00 42.45 0
ATOM 2126 N GLU A 280 -10.307 -14.087 46.103 1. 00 22.04 N
ATOM 2127 CA GLU A 280 -10.675 -12.812 46.715 1. 00 26.99 C
ATOM 2128 C GLU A 280 -10.429 -12.758 48.231 1. 00 24.83 C
ATOM 2129 0 GLU A 280 - 9.916 -11.756 48.735 1. 00 23.26 0
ATOM 2130 CB GLU A 280 -12.140 -12.496 46.393 1. 00 27.73 C
ATOM 2131 CG GLU A 280 -12.488 -11.036 46.493 1. 00 34.84 C
ATOM 2132 CD GLU A 280 -13.941 -10.745 46.122 1. 00 38.90 C
ATOM 2133 OE1 GLU A 280 -14.468 -11.383 45.175 1. 00 55.38 0
ATOM 2134 OE2 GLU A 280 -14.554 -9.868 46.781 1. 00 55.78 0
ATOM 2135 N GLN A 281 -10.762 -13.831 48.966 1. 00 25.10 N
ATOM 2136 CA GLN A 281 -10.598 -13.795 50.414 1. 00 27.56 C
ATOM 2137 C GLN A 281 -9.120 -13.676 50.806 1. 00 26.83 C
ATOM 2138 0 GLN A 281 -8.783 -13.094 51.819 1. 00 30.39 0
ATOM 2139 CB GLN A 281 -11.281 -15.000 51.102 1. 00 29.78 C
ATOM 2140 N VAL A 282 -8.245 -14.190 49.953 1. 00 29.21 N
ATOM 2141 CA VAL A 282 -6.819 -14.068 50.163 1. 00 25.24 C
ATOM 2142 C VAL A 282 -6.298 -12.693 49.673 1. 00 22.09 C
ATOM 2143 0 VAL A 282 -5.699 -11.957 50.439 1. 00 21.91 0
ATOM 2144 CB VAL A 282 -6.071 -15.246 49.498 1. 00 24.82 C

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Figure IA-40

Atom Type Residue # X Y Z Oee B Type

ATOM 2145 CG1 VAL A 282 -4.598 -15.064 49.594 1. 00 24.79 C
ATOM 2146 CG2 VAL A 282 -6.517 -16.590 50.089 1. 00 27.42 C
ATOM 2147 N TRP A 283 -6.536 -12.337 48.420 1. 00 22.46 N
ATOM 2148 CA TRP A 283 -5.962 -11.088 47.931 1. 00 19.26 C
ATOM 2149 C TRP A 283 -6.545 -9.792 48.521 1. 00 20.11 C
ATOM 2150 0 TRP A 283 -5.862 -8.770 48.536 1. 00 18.18 0
ATOM 2151 CB TRP A 283 -5.782 -11.046 46.392 1. 00 16.28 C
ATOM 2152 CG TRP A 283 -7.023 -11.156 45.543 1. 00 15.11 C
ATOM 2153 CD1 TRP A 283 -7.406 -12.224 44.781 1. 00 20.52 C
ATOM 2154 NE1 TRP A 283 -8.570 -11.946 44.138 1. 00 20.69 N
ATOM 2155 CE2 TRP A 283 -8.983 -10.696 44.492 1. 00 19.29 C
ATOM 2156 CD2 TRP A 283 -8.032 -10.174 45.382 1. 00 15.33 C
ATOM 2157 CE3 TRP A 283 -8.214 -8.877 45.882 1. 00 14.76 C
ATOM 2158 CZ3 TRP A 283 -9.314 -8.173 45.485 1. 00 20.78 C
ATOM 2159 CH2 TRP A 283 -10.244 -8.717 44.605 1. 00 26.10 C
ATOM 2160 CZ2 TRP A 283 -10.103 -9.969 44.092 1. 00 21.09 C
ATOM 2161 N LYS A 284 -7.784 -9.821 49.022 1. 00 18.68 N
ATOM 2162 CA LYS A 284 -8.309 -8.634 49.704 1. 00 22.24 C
ATOM 2163 C LYS A 284 -7.433 -8.238 50.868 1. 00 18.58 C
ATOM 2164 0 LYS A 284 -7.299 -7.060 51.149 1. 00 21.08 0
ATOM 2165 CB LYS A 284 -9.755 -8.803 50.204 1. 00 24.51 C
ATOM 2166 CG LYS A 284 -10.813 -8.864 49.120 1. 00 32.60 C
ATOM 2167 CD LYS A 284 -11.318 -7.507 48.678 1. 00 46.19 C
ATOM 2168 CE LYS A 284 -12.518 -7.683 47.754 1. 00 47.17 C
ATOM 2169 NZ LYS A 284 -13.007 -6.383 47.211 1. 00 54.76 N
ATOM 2170 N GLU A 285 -6.826 -9.200 51.548 1. 00 22.34 N
ATOM 2171 CA GLU A 285 -5.980 -8.850 52.685 1. 00 22.46 C
ATOM 2172 C GLU A 285 -4.666 -8.210 52.243 1. 00 20.60 C
ATOM 2173 0 GLU A 285 -4.095 -7.400 52.964 1. 00 25.33 0
ATOM 2174 CB GLU A 285 -5.725 -10.062 53.593 1. 00 22.54 C
ATOM 2175 CG GLU A 285 -6.963 -10.552 54.343 1. 00 27.23 C
ATOM 2176 CD GLU A 285 -7.772 -9.423 54.977 1. 00 25.42 C
ATOM 2177 OE1 GLU A 285 -7.231 -8.679 55.818 1. 00 33.63 0
ATOM 2178 OE2 GLU A 285 -8.968 -9.272 54.630 1. 00 39.28 0
ATOM 2179 N VAL A 286 -4.215 -8.561 51.048 1. 00 19.58 N
ATOM 2180 CA VAL A 286 -3.011 -7.991 50.473 1. 00 18.09 C
ATOM 2181 C VAL A 286 -3.326 -6.541 50.057 1. 00 17.47 C
ATOM 2182 0 VAL A 286 -2.572 -5.626 50.361 1. 00 21.96 0
ATOM 2183 CB VAL A 286 -2.483 -8.847 49.292 1. 00 18.53 C
ATOM 2184 CG1 VAL A 286 -1.182 -8.292 48.762 1. 00 19.91 C
ATOM 2185 CG2 VAL A 286 -2.218 -10.264 49.753 1. 00 19.03 C
ATOM 2186 N GLN A 287 -4.485 -6.346 49.445 1. 00 18.13 N
ATOM 2187 CA GLN A 287 -4.865 -5.038 48.957 1. 00 19.78 C
ATOM 2188 C GLN A 287 -4.889 -4.073 50.124 1. 00 19.86 C
ATOM 2189 0 GLN A 287 -4.389 -2.989 50.027 1. 00 18.73 0
ATOM 2190 CB GLN A 287 -6.201 -5.097 48.265 1. 00 19.27 C
ATOM 2191 CG GLN A 287 -6.727 -3.722 47.814 1. 00 21. 48 C
ATOM 2192 CD GLN A 287 -8.082 -3.850 47.249 1. 00 22.63 C
ATOM 2193 OE1 GLN A 287 -8.832 -4.724 47.655 1. 00 27.37 0
ATOM 2194 NE2 GLN A 287 -8.413 -3.009 46.277 1. 00 24.07 N
ATOM 2195 N GLU A 288 -5.440 -4.528 51.256 1. 00 23.18 N
ATOM 2196 CA GLU A 288 -5.613 -3.692 52.423 1. 00 23.70 C
ATOM 2197 C GLU A 288 -4.263 -3.342 53.051 1. 00 22.28 C
ATOM 2198 0 GLU A 288 -4.005 -2.173 53.416 1. 00 24.84 0
ATOM 2199 CB GLU A 288 -6.573 -4.398 53.411 1. 00 24.06 C

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Figure lA-41

Atom Type Residue # X Y Z Oee B Type

ATOM 2200 CG GLU A 288 -6.773 -3.643 54.714 1. 00 33.33 C
ATOM 2201 CD GLU A 288 -7.432 -2.284 54.520 1. 00 44.00 C
ATOM 2202 OE1 GLU A 288 -8.104 -2.074 53.486 1. 00 44.46 0
ATOM 2203 OE2 GLU A 288 -7.284 -1.421 55.412 1. 00 50.75 0
ATOM 2204 N SER A 289 -3.384 -4.335 53.122 1. 00 20.85 N
ATOM 2205 CA SER A 289 -2.026 -4.147 53.625 1. 00 23.90 C
ATOM 2206 C SER A 289 -1.193 -3.149 52.809 1. 00 23.52 C
ATOM 2207 0 SER A 289 -0.335 -2.474 53.363 1. 00 23.00 0
ATOM 2208 CB SER A 289 -1. 294 -5.464 53.682 1. 00 23.68 C
ATOM 2209 OG SER A 289 -1.762 -6.252 54.752 1. 00 24.69 0
ATOM 2210 N LEU A 290 -1.455 -3.066 51.501 1. 00 23.50 N
ATOM 2211 CA LEU A 290 -0.743 -2.153 50.623 1. 00 21. 49 C
ATOM 2212 C LEU A 290 -0.948 -0.696 50.976 1. 00 21.97 C
ATOM 2213 0 LEU A 290 - 0.116 0.142 50.613 1. 00 20.47 0
ATOM 2214 CB LEU A 290 -1.107 -2.389 49.137 1. 00 23.92 C
ATOM 2215 CG LEU A 290 -0.305 -3.507 48.446 1. 00 21.91 C
ATOM 2216 CD1 LEU A 290 -1.007 -4.083 47.203 1. 00 18.47 C
ATOM 2217 CD2 LEU A 290 1.086 -3.025 48.125 1. 00 17.26 C
ATOM 2218 N LYS A 291 -2.033 -0.385 51.683 1. 00 21. 43 N
ATOM 2219 CA LYS A 291 -2.330 1.014 52.010 1. 00 25.63 C
ATOM 2220 C LYS A 291 -1.173 1.557 52.832 1. 00 23.11 C
ATOM 2221 0 LYS A 291 -0.610 2.618 52.530 1. 00 22.74 0
ATOM 2222 CB LYS A 291 -3.654 1.156 52.753 1. 00 21. 49 C
ATOM 2223 CG LYS A 291 -4.881 0.857 51.919 1. 00 32.88 C
ATOM 2224 CD LYS A 291 -6.126 1.107 52.768 1. 00 44.27 C
ATOM 2225 CE LYS A 291 -7.374 1. 295 51.930 1. 00 52.61 C
ATOM 2226 NZ LYS A 291 -8.193 0.060 51.843 1. 00 53.92 N
ATOM 2227 N LYS A 292 -0.800 0.778 53.835 1. 00 25.71 N
ATOM 2228 CA LYS A 292 0.287 1.100 54.743 1. 00 22.92 C
ATOM 2229 C LYS A 292 1.666 0.967 54.075 1. 00 22.88 C
ATOM 2230 0 LYS A 292 2.482 1.881 54.173 1. 00 25.30 0
ATOM 2231 CB LYS A 292 0.218 0.163 55.945 1. 00 26.18 C
ATOM 2232 CG LYS A 292 1. 407 0.295 56.897 1. 00 28.56 C
ATOM 2233 N ILE A 293 1.897 -0.168 53.393 1. 00 22.89 N
ATOM 2234 CA ILE A 293 3.128 -0.399 52.635 1. 00 21. 46 C
ATOM 2235 C ILE A 293 3.444 0.741 51.667 1. 00 17.61 C
ATOM 2236 0 ILE A 293 4.596 1.178 51.603 1. 00 23.76 0
ATOM 2237 CB ILE A 293 3.174 -1.778 51.864 1. 00 22.22 C
ATOM 2238 CG1 ILE A 293 3.127 -2.947 52.845 1. 00 25.15 C
ATOM 2239 CD1 ILE A 293 2.658 -4.226 52.278 1. 00 19.03 C
ATOM 2240 CG2 ILE A 293 4.438 -1.870 50.972 1. 00 15.04 C
ATOM 2241 N GLU A 294 2.454 1. 202 50.908 1. 00 18.36 N
ATOM 2242 CA GLU A 294 2.684 2.285 49.935 1. 00 19.12 C
ATOM 2243 C GLU A 294 3.007 3.630 50.602 1. 00 21.90 C
ATOM 2244 0 GLU A 294 3.831 4.402 50.112 1. 00 23.94 0
ATOM 2245 CB GLU A 294 1.537 2.363 48.911 1. 00 19.69 C
ATOM 2246 CG GLU A 294 1.601 1.111 48.029 1. 00 26.04 C
ATOM 2247 CD GLU A 294 0.884 1.178 46.718 1. 00 38.52 C
ATOM 2248 OE1 GLU A 294 -0.359 1.154 46.703 1. 00 47.22 0
ATOM 2249 OE2 GLU A 294 1.573 1.176 45.684 1. 00 47.43 0
ATOM 2250 N GLU A 295 2.378 3.884 51.744 1. 00 24.92 N
ATOM 2251 CA GLU A 295 2.615 5.105 52.496 1. 00 23.89 C
ATOM 2252 C GLU A 295 4.053 5.140 53.095 1. 00 24.17 C
ATOM 2253 0 GLU A 295 4.733 6.168 53.022 1. 00 27.76 0
ATOM 2254 CB GLU A 295 1.532 5.264 53.570 1. 00 27.14 C

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Figure IA-42

Atom Type Residue # X Y Z Oee B Type

ATOM 2255 N LEU A 296 4.506 4.012 53.644 1. 00 22.36 N
ATOM 2256 CA LEU A 296 5.888 3.803 54.100 1. 00 22.12 C
ATOM 2257 C LEU A 296 6.881 4.015 52.963 1. 00 22.67 C
ATOM 2258 0 LEU A 296 7.920 4.651 53.143 1. 00 23.43 0
ATOM 2259 CB LEU A 296 6.087 2.386 54.681 1. 00 18.53 C
ATOM 2260 CG LEU A 296 5.435 2.084 56.059 1. 00 26.42 C
ATOM 2261 CD1 LEU A 296 5.404 0.618 56.381 1. 00 32.82 C
ATOM 2262 CD2 LEU A 296 6.124 2.881 57.182 1. 00 28.92 C
ATOM 2263 N LYS A 297 6.565 3.463 51.797 1. 00 22.22 N
ATOM 2264 CA LYS A 297 7.456 3.569 50.630 1. 00 21. 24 C
ATOM 2265 C LYS A 297 7.578 5.052 50.198 1. 00 20.98 C
ATOM 2266 0 LYS A 297 8.646 5.502 49.835 1. 00 23.58 0
ATOM 2267 CB LYS A 297 6.937 2.708 49.483 1. 00 19.76 C
ATOM 2268 CG LYS A 297 7.710 2.880 48.191 1. 00 21.67 C
ATOM 2269 CD LYS A 297 7.066 2.134 47.062 1. 00 29.62 C
ATOM 2270 CE LYS A 297 7.789 2.429 45.779 1. 00 39.72 C
ATOM 2271 NZ LYS A 297 7.260 3.651 45.153 1. 00 44.68 N
ATOM 2272 N ALA A 298 6.467 5.780 50.301 1. 00 21.63 N
ATOM 2273 CA ALA A 298 6.375 7.148 49.898 1. 00 25.23 C
ATOM 2274 C ALA A 298 7.247 7.999 50.817 1. 00 24.38 C
ATOM 2275 0 ALA A 298 7.722 9.044 50.404 1. 00 26.96 0
ATOM 2276 CB ALA A 298 4.920 7.629 49.923 1. 00 24.21 C
ATOM 2277 N HIS A 299 7.477 7.510 52.038 1. 00 25.77 N
ATOM 2278 CA HIS A 299 8.322 8.196 53.019 1. 00 26.35 C
ATOM 2279 C HIS A 299 9.701 7.580 53.136 1. 00 27.62 C
ATOM 2280 0 HIS A 299 10.422 7.824 54.102 1. 00 28.49 0
ATOM 2281 CB HIS A 299 7.627 8.229 54.361 1. 00 25.10 C
ATOM 2282 CG HIS A 299 6.542 9.247 54.426 1. 00 23.82 C
ATOM 2283 ND1 HIS A 299 5.333 9.081 53.791 1. 00 30.45 N
ATOM 2284 CE1 HIS A 299 4.577 10.142 54.008 1. 00 33.86 C
ATOM 2285 NE2 HIS A 299 5.252 10.987 54.763 1. 00 32.90 N
ATOM 2286 CD2 HIS A 299 6.492 10.458 55.026 1. 00 30.22 C
ATOM 2287 N TRP A 300 10.059 6.787 52.13 0 1. 00 24.88 N
ATOM 2288 CA TRP A 300 11.364 6.148 52.012 1. 00 23.36 C
ATOM 2289 C TRP A 300 11.738 5.340 53.274 1. 00 25.92 C
ATOM 2290 0 TRP A 300 12.912 5.312 53.662 1. 00 24.42 0
ATOM 2291 CB TRP A 300 12.481 7.159 51.690 1. 00 23.29 C
ATOM 2292 CG TRP A 300 12.355 7.977 50.401 1. 00 22.05 C
ATOM 2293 CD1 TRP A 300 11.383 8.881 50.121 1. 00 20.46 C
ATOM 2294 NE1 TRP A 300 11.606 9.471 48.894 1. 00 26.63 N
ATOM 2295 CE2 TRP A 300 12.756 8.966 48.356 1. 00 25.26 C
ATOM 2296 CD2 TRP A 300 13.264 8.006 49.277 1. 00 25.38 C
ATOM 2297 CE3 TRP A 300 14.466 7.351 48.970 1. 00 27.97 C
ATOM 2298 CZ3 TRP A 300 15.104 7.648 47.743 1. 00 26.12 C
ATOM 2299 CH2 TRP A 300 14.557 8.599 46.856 1. 00 23.37 C
ATOM 2300 CZ2 TRP A 300 13.386 9.256 47.145 1. 00 18.60 C
ATOM 2301 N LYS A 301 10.743 4.682 53.879 1. 00 24.26 N
ATOM 2302 CA LYS A 301 10.934 3.883 55.105 1. 00 26.47 C
ATOM 2303 C LYS A 301 11.191 2.414 54.722 1. 00 23.87 C
ATOM 2304 0 LYS A 301 10.362 1.559 54.969 1. 00 26.75 0
ATOM 2305 CB LYS A 301 9.707 3.977 56.024 1. 00 23.54 C
ATOM 2306 CG LYS A 301 9.356 5.355 56.532 1. 00 30.66 C
ATOM 2307 CD LYS A 301 10.515 5.997 57.260 1. 00 45.15 C
ATOM 2308 CE LYS A 301 10.087 7.310 57.893 1. 00 53.99 C
ATOM 2309 NZ LYS A 301 11.261 8.108 58.357 1. 00 57.20 N

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Figure IA-43

Atom Type Residue # X Y Z Oee B Type

ATOM 2310 N TRP A 302 12.347 2.151 54.121 1. 00 25.50 N
ATOM 2311 CA TRP A 302 12.616 0.879 53.467 1. 00 25.32 C
ATOM 2312 C TRP A 302 12.633 -0.364 54.369 1. 00 26.47 C
ATOM 2313 0 TRP A 302 12.240 -1.428 53.945 1. 00 24.20 0
ATOM 2314 CB TRP A 302 13.921 0.957 52.688 1. 00 27.96 C
ATOM 2315 CG TRP A 302 13.971 2.074 51.709 1. 00 28.89 C
ATOM 2316 CD1 TRP A 302 14.892 3.075 51.674 1. 00 34.08 C
ATOM 2317 NE1 TRP A 302 14.633 3.919 50.634 1. 00 30.29 N
ATOM 2318 CE2 TRP A 302 13 .530 3.481 49.955 1. 00 25.66 C
ATOM 2319 CD2 TRP A 302 13.070 2.321 50.607 1. 00 32.01 C
ATOM 2320 CE3 TRP A 302 11.934 1.667 50.107 1. 00 29.03 C
ATOM 2321 CZ3 TRP A 302 11.288 2.210 48.985 1. 00 31.58 C
ATOM 2322 CH2 TRP A 302 11.769 3.373 48.369 1. 00 30.68 C
ATOM 2323 CZ2 TRP A 302 12.885 4.030 48.842 1. 00 24.21 C
ATOM 2324 N GLU A 303 13.134 -0.217 55.592 1. 00 26.27 N
ATOM 2325 CA GLU A 303 13 .187 -1.306 56.554 1. 00 27.62 C
ATOM 2326 C GLU A 303 11.771 -1.736 56.918 1. 00 25.23 C
ATOM 2327 0 GLU A 303 11.473 -2.929 56.960 1. 00 28.10 0
ATOM 2328 CB GLU A 303 13.974 -0.882 57.802 1. 00 27.81 C
ATOM 2329 CG GLU A 303 15.470 -0.722 57.552 1. 00 36.63 C
ATOM 2330 N GLN A 304 10.898 -0.766 57.158 1. 00 25.00 N
ATOM 2331 CA GLN A 304 9.509 -1.057 57.511 1. 00 25.60 C
ATOM 2332 C GLN A 304 8.751 -1.690 56.341 1. 00 22.55 C
ATOM 2333 0 GLN A 304 7.927 -2.564 56.527 1. 00 23.26 0
ATOM 2334 CB GLN A 304 8.787 0.225 57.943 1. 00 27.06 C
ATOM 2335 CG GLN A 304 9.463 0.959 59.089 1. 00 36.87 C
ATOM 2336 CD GLN A 304 8.587 2.038 59.674 1. 00 45.39 C
ATOM 2337 OE1 GLN A 304 7.471 1.769 60.125 1. 00 53.84 0
ATOM 2338 NE2 GLN A 304 9.083 3.270 59.670 1. 00 50.95 N
ATOM 2339 N VAL A 305 9.040 -1.215 55.136 1. 00 21.86 N
ATOM 2340 CA VAL A 305 8.425 -1.728 53.926 1. 00 20.84 C
ATOM 2341 C VAL A 305 8.810 -3.177 53.737 1. 00 21. 29 C
ATOM 2342 0 VAL A 305 7.936 -4.017 53.588 1. 00 25.01 0
ATOM 2343 CB VAL A 305 8.830 -0.943 52.671 1. 00 18.57 C
ATOM 2344 CG1 VAL A 305 8.423 -1.714 51.424 1. 00 20.66 C
ATOM 2345 CG2 VAL A 305 8.200 0.447 52.688 1. 00 17.22 C
ATOM 2346 N LEU A 306 10.111 -3.452 53.784 1. 00 21. 49 N
ATOM 2347 CA LEU A 306 10.626 -4.804 53.675 1. 00 21.77 C
ATOM 2348 C LEU A 306 9.979 -5.748 54.687 1. 00 22.24 C
ATOM 2349 0 LEU A 306 9.549 -6.832 54.330 1. 00 22.09 0
ATOM 2350 CB LEU A 306 12.141 -4.837 53.813 1. 00 23.11 C
ATOM 2351 CG LEU A 306 12.813 -6.179 53.502 1. 00 22.54 C
ATOM 2352 CD1 LEU A 306 12.380 -6.731 52.127 1. 00 25.33 C
ATOM 2353 CD2 LEU A 306 14.311 -6.057 53.562 1. 00 23.47 C
ATOM 2354 N ALA A 307 9.927 -5.334 55.950 1. 00 26.89 N
ATOM 2355 CA ALA A 307 9.344 -6.175 57.008 1. 00 25.47 C
ATOM 2356 C ALA A 307 7.902 -6.562 56.694 1. 00 25.17 C
ATOM 2357 0 ALA A 307 7.519 -7.722 56.789 1. 00 25.17 0
ATOM 2358 CB ALA A 307 9.425 -5.462 58.332 1. 00 26.09 C
ATOM 2359 N MET A 308 7.107 -5.576 56.297 1. 00 26.31 N
ATOM 2360 CA MET A 308 5.739 -5.838 55.937 1. 00 27.75 C
ATOM 2361 C MET A 308 5.559 -6.741 54.721 1. 00 24.20 C
ATOM 2362 0 MET A 308 4.750 -7.654 54.746 1. 00 23.15 0
ATOM 2363 CB MET A 308 4.985 -4.538 55.768 1. 00 25.07 C
ATOM 2364 CG MET A 308 4.581 -3.957 57.059 1. 00 27.21 C

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Figure IA-44

Atom Type Residue # X Y Z Oee B Type

ATOM 2365 SD MET A 308 3.440 -2.627 56.769 1. 00 33.48 S
ATOM 2366 CE MET A 308 1.974 -3.528 56.234 1. 00 36.09 C
ATOM 2367 N CYS A 309 6.344 -6.505 53.676 1. 00 23.88 N
ATOM 2368 CA CYS A 309 6.263 -7.308 52.463 1. 00 22.21 C
ATOM 2369 C CYS A 309 6.680 -8.761 52.671 1. 00 21. 49 C
ATOM 2370 0 CYS A 309 6.029 -9.657 52.173 1. 00 21.81 0
ATOM 2371 CB CYS A 309 7.110 -6.680 51.359 1. 00 20.39 C
ATOM 2372 SG CYS A 309 6.479 -5.062 50.842 1. 00 23.37 S
ATOM 2373 N GLN A 310 7.758 -8.978 53.411 1. 00 24.66 N
ATOM 2374 CA GLN A 310 8.252 -10.344 53.661 1. 00 26.47 C
ATOM 2375 C GLN A 310 7.189 -11.187 54.335 1. 00 24.17 C
ATOM 2376 0 GLN A 310 6.984 -12.318 53.941 1. 00 26.01 0
ATOM 2377 CB GLN A 310 9.533 -10.336 54.503 1. 00 28.59 C
ATOM 2378 CG GLN A 310 10.814 -10.010 53.742 1. 00 25.56 C
ATOM 2379 CD GLN A 310 11.961 -9.640 54.675 1. 00 26.26 C
ATOM 2380 OE1 GLN A 310 11.743 -9.318 55.830 1. 00 30.83 0
ATOM 2381 NE2 GLN A 310 13.179 -9.624 54.154 1. 00 26.19 N
ATOM 2382 N ALA A 311 6.497 -10.612 55.322 1. 00 26.03 N
ATOM 2383 CA ALA A 311 5.384 -11.278 56.028 1. 00 25.53 C
ATOM 2384 C ALA A 311 4.309 -11.736 55.065 1. 00 25.65 C
ATOM 2385 0 ALA A 311 3.864 -12.874 55.125 1. 00 26.45 0
ATOM 2386 CB ALA A 311 4.774 -10.351 57.097 1. 00 26.19 C
ATOM 2387 N ILE A 312 3.914 -10.836 54.160 1. 00 24.68 N
ATOM 2388 CA ILE A 312 2.941 -11.123 53.118 1. 00 21.98 C
ATOM 2389 C ILE A 312 3.435 -12.166 52.085 1. 00 22.17 C
ATOM 2390 0 ILE A 312 2.708 -13.095 51.753 1. 00 21.13 0
ATOM 2391 CB ILE A 312 2.438 -9.796 52.457 1. 00 21.88 C
ATOM 2392 CG1 ILE A 312 1.591 -8.997 53.477 1. 00 15.45 C
ATOM 2393 CD1 ILE A 312 1. 360 -7.536 53.103 1. 00 25.42 C
ATOM 2394 CG2 ILE A 312 1.659 -10.098 51.140 1. 00 20.66 C
ATOM 2395 N ILE A 313 4.649 -11.998 51.562 1. 00 24.98 N
ATOM 2396 CA ILE A 313 5.198 -12.925 50.544 1. 00 24.65 C
ATOM 2397 C ILE A 313 5.339 -14.353 51.081 1. 00 26.17 C
ATOM 2398 0 ILE A 313 4.911 -15.308 50.438 1. 00 27.15 0
ATOM 2399 CB ILE A 313 6.530 -12.412 49.947 1. 00 21. 29 C
ATOM 2400 CG1 ILE A 313 6.308 -11.044 49.286 1. 00 22.99 C
ATOM 2401 CD1 ILE A 313 7.581 -10.297 48.973 1. 00 26.25 C
ATOM 2402 CG2 ILE A 313 7.121 -13.359 48.940 1. 00 24.46 C
ATOM 2403 N SER A 314 5.886 -14.504 52.278 1. 00 30.04 N
ATOM 2404 CA SER A 314 6.025 -15.838 52.846 1. 00 30.25 C
ATOM 2405 C SER A 314 4.678 -16.491 53.178 1. 00 31. 32 C
ATOM 2406 0 SER A 314 4.484 -17.682 52.958 1. 00 33.23 0
ATOM 2407 CB SER A 314 6.955 -15.818 54.064 1. 00 32.07 C
ATOM 2408 OG SER A 314 6.510 -14.888 55.024 1. 00 35.51 0
ATOM 2409 N SER A 315 3.730 -15.722 53.665 1. 00 29.91 N
ATOM 2410 CA SER A 315 2.499 -16.341 54.138 1. 00 30.55 C
ATOM 2411 C SER A 315 1.542 -16.722 53.005 1. 00 28.41 C
ATOM 2412 0 SER A 315 0.711 -17.621 53.175 1. 00 32.43 0
ATOM 2413 CB SER A 315 1.819 -15.452 55.164 1. 00 30.32 C
ATOM 2414 OG SER A 315 1.193 -14.366 54.523 1. 00 40.34 0
ATOM 2415 N ASN A 316 1.689 -16.075 51.847 1. 00 23.98 N
ATOM 2416 CA ASN A 316 0.804 -16.295 50.716 1. 00 23.61 C
ATOM 2417 C ASN A 316 1. 389 -17.191 49.632 1. 00 22.85 C
ATOM 2418 0 ASN A 316 0.732 -17.477 48.641 1. 00 24.69 0
ATOM 2419 CB ASN A 316 0.343 -14.940 50.119 1. 00 27.33 C

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Figure IA-45

Atom Type Residue # X Y Z Oee B Type

ATOM 2420 CG ASN A 316 -0.646 -14.195 51.042 1. 00 21.59 C
ATOM 2421 OD1 ASN A 316 -1.759 -14.624 51.229 1. 00 28.05 0
ATOM 2422 ND2 ASN A 316 -0.206 -13.077 51.618 1. 00 35.55 N
ATOM 2423 N SER A 317 2.601 -17.676 49.845 1. 00 24.09 N
ATOM 2424 CA SER A 317 3.338 -18.391 48.796 1. 00 22.12 C
ATOM 2425 C SER A 317 2.676 -19.661 48.294 1. 00 20.49 C
ATOM 2426 0 SER A 317 2.871 -20.051 47.177 1. 00 20.39 0
ATOM 2427 CB SER A 317 4.743 -18.699 49.265 1. 00 23.18 C
ATOM 2428 OG SER A 317 4.688 -19.525 50.395 1. 00 28.62 0
ATOM 2429 N GLU A 318 1.880 -20.288 49.145 1. 00 21. 48 N
ATOM 2430 CA GLU A 318 1. 265 -21.563 48.824 1. 00 21.50 C
ATOM 2431 C GLU A 318 -0.066 -21.358 48.107 1. 00 19.72 C
ATOM 2432 0 GLU A 318 -0.568 -22.294 47.507 1. 00 21. 23 0
ATOM 2433 CB GLU A 318 1.110 -22.413 50.105 1. 00 24.05 C
ATOM 2434 CG GLU A 318 2.449 -22.962 50.619 1. 00 23.06 C
ATOM 2435 CD GLU A 318 2.325 -23.973 51.774 1. 00 25.09 C
ATOM 2436 OE1 GLU A 318 1. 214 -24.265 52.227 1. 00 25.56 0
ATOM 2437 OE2 GLU A 318 3.370 -24.455 52.230 1. 00 31.63 0
ATOM 2438 N ARG A 319 -0.602 -20.127 48.148 1. 00 19.38 N
ATOM 2439 CA ARG A 319 -1.948 -19.832 47.662 1. 00 22.61 C
ATOM 2440 C ARG A 319 -2.113 -18.719 46.615 1. 00 18.53 C
ATOM 2441 0 ARG A 319 -3.014 -18.799 45.793 1. 00 20.83 0
ATOM 2442 CB ARG A 319 -2.863 -19.498 48.836 1. 00 22.60 C
ATOM 2443 CG ARG A 319 -3.382 -20.709 49.614 1. 00 31.75 C
ATOM 2444 CD ARG A 319 -4.195 -20.259 50.827 1. 00 34.70 C
ATOM 2445 NE ARG A 319 -3.381 -19.585 51.848 1. 00 54.95 N
ATOM 2446 CZ ARG A 319 -3.066 -18.287 51.854 1. 00 61.08 C
ATOM 2447 NH1 ARG A 319 -3.470 -17.492 50.878 1. 00 66.06 N
ATOM 2448 NH2 ARG A 319 -2.328 -17.782 52.834 1. 00 63.78 N
ATOM 2449 N LEU A 320 -1.287 -17.672 46.675 1. 00 19.68 N
ATOM 2450 CA LEU A 320 -1.509 -16.521 45.813 1. 00 20.84 C
ATOM 2451 C LEU A 320 -0.403 -16.296 44.726 1. 00 18.29 C
ATOM 2452 0 LEU A 320 0.729 -16.053 45.051 1. 00 17.86 0
ATOM 2453 CB LEU A 320 -1.690 -15.282 46.654 1. 00 16.89 C
ATOM 2454 CG LEU A 320 -2.107 -13.980 45.930 1. 00 18.40 C
ATOM 2455 CD1 LEU A 320 -3.461 -14.079 45.317 1. 00 18.76 C
ATOM 2456 CD2 LEU A 320 -2.046 -12.854 46.955 1. 00 17.00 C
ATOM 2457 N PRO A 321 -0.763 -16.444 43.453 1. 00 18.07 N
ATOM 2458 CA PRO A 321 0.139 -16.246 42.314 1. 00 20.58 C
ATOM 2459 C PRO A 321 0.666 -14.808 42.195 1. 00 20.27 C
ATOM 2460 0 PRO A 321 -0.008 -13.858 42.603 1. 00 20.60 0
ATOM 2461 CB PRO A 321 -0.751 -16.565 41.116 1. 00 17.69 C
ATOM 2462 CG PRO A 321 -1.751 -17.491 41.680 1. 00 21. 33 C
ATOM 2463 CD PRO A 321 -2.087 -16.898 43.004 1. 00 16.85 C
ATOM 2464 N ASP A 322 1.867 -14.689 41.641 1. 00 20.62 N
ATOM 2465 CA ASP A 322 2.568 -13.415 41.521 1. 00 17.44 C
ATOM 2466 C ASP A 322 1.931 -12.479 40.498 1. 00 17.17 C
ATOM 2467 0 ASP A 322 2.146 -11.290 40.572 1. 00 21. 28 0
ATOM 2468 CB ASP A 322 4.014 -13.652 41.142 1. 00 21. 45 C
ATOM 2469 CG ASP A 322 4.841 -14.232 42.260 1. 00 17.06 C
ATOM 2470 OD1 ASP A 322 4.421 -14.277 43.455 1. 00 25.53 0
ATOM 2471 OD2 ASP A 322 5.952 -14.649 41.920 1. 00 19.00 0
ATOM 2472 N ILE A 323 1.134 -13.014 39.583 1. 00 18.67 N
ATOM 2473 CA ILE A 323 0.413 -12.203 38.625 1. 00 19.89 C
ATOM 2474 C ILE A 323 -0.743 -11.387 39.248 1. 00 20.09 C

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Figure IA-46

Atom Type Residue # X Y Z Oee B Type

ATOM 2475 0 ILE A 323 -1.136 -10.361 38.690 1. 00 17.19 0
ATOM 2476 CB ILE A 323 -0.038 -13.014 37.411 1. 00 21.85 C
ATOM 2477 CG1 ILE A 323 -0.198 -12.091 36.164 1. 00 16.69 C
ATOM 2478 CD1 ILE A 323 -0.639 -12.838 34.926 1. 00 27.60 C
ATOM 2479 CG2 ILE A 323 -1.249 -13.912 37.780 1. 00 17.42 C
ATOM 2480 N ASN A 324 -1.273 -11.837 40.392 1. 00 21.55 N
ATOM 2481 CA ASN A 324 -2.264 -11.029 41.114 1. 00 18.82 C
ATOM 2482 C ASN A 324 -1.659 -9.652 41.348 1. 00 16.48 C
ATOM 2483 0 ASN A 324 -0.587 -9.549 41.869 1. 00 17.88 0
ATOM 2484 CB ASN A 324 -2.703 -11.717 42.430 1. 00 19.64 C
ATOM 2485 CG ASN A 324 -3.651 -10.835 43.258 1. 00 17.79 C
ATOM 2486 OD1 ASN A 324 -3.217 -9.933 43.973 1. 00 15.37 0
ATOM 2487 ND2 ASN A 324 -4.937 -11.095 43.147 1. 00 16.31 N
ATOM 2488 N ILE A 325 -2.352 -8.586 40.955 1. 00 18.22 N
ATOM 2489 CA ILE A 325 -1.776 -7.225 41.058 1. 00 14.08 C
ATOM 2490 C ILE A 325 -1.368 -6.751 42.443 1. 00 15.22 C
ATOM 2491 0 ILE A 325 -0.365 -6.077 42.562 1. 00 15.55 0
ATOM 2492 CB ILE A 325 -2.614 -6.149 40.323 1. 00 12.76 C
ATOM 2493 CG1 ILE A 325 -4.047 -6.035 40.866 1. 00 16.15 C
ATOM 2494 CD1 ILE A 325 -4.705 -4.713 40.610 1. 00 13.57 C
ATOM 2495 CG2 ILE A 325 -2.573 -6.370 38.814 1. 00 14.62 C
ATOM 2496 N TYR A 326 -2.099 -7.160 43.487 1. 00 13 .44 N
ATOM 2497 CA TYR A 326 -1.761 -6.852 44.843 1. 00 14.78 C
ATOM 2498 C TYR A 326 -0.490 -7.599 45.304 1. 00 13.52 C
ATOM 2499 0 TYR A 326 0.398 -6.982 45.860 1. 00 13.62 0
ATOM 2500 CB TYR A 326 -3.005 -7.045 45.778 1. 00 12.79 C
ATOM 2501 CG TYR A 326 -4.226 -6.376 45.191 1. 00 10.99 C
ATOM 2502 CD1 TYR A 326 -4.252 -4.991 44.985 1. 00 19.91 C
ATOM 2503 CE1 TYR A 326 -5.342 -4.376 44.378 1. 00 17.69 C
ATOM 2504 CZ TYR A 326 -6.397 -5.154 43.982 1. 00 15.52 C
ATOM 2505 OH TYR A 326 -7.473 -4.597 43.377 1. 00 18.73 0
ATOM 2506 CE2 TYR A 326 -6.379 -6.541 44.151 1. 00 18.62 C
ATOM 2507 CD2 TYR A 326 -5.292 -7.130 44.723 1. 00 20.92 C
ATOM 2508 N GLN A 327 -0.396 -8.902 45.047 1. 00 14.25 N
ATOM 2509 CA GLN A 327 0.832 -9.619 45.307 1. 00 15.46 C
ATOM 2510 C GLN A 327 2.029 -9.002 44.519 1. 00 16.84 C
ATOM 2511 0 GLN A 327 3.137 -8.910 45.029 1. 00 16.67 0
ATOM 2512 CB GLN A 327 0.641 -11.109 44.941 1. 00 17.05 C
ATOM 2513 CG GLN A 327 1.859 -12.024 45.243 1. 00 19.44 C
ATOM 2514 CD GLN A 327 2.229 -12.021 46.701 1. 00 34.32 C
ATOM 2515 OE1 GLN A 327 1.566 -12.655 47.521 1. 00 42.15 0
ATOM 2516 NE2 GLN A 327 3.288 -11.288 47.045 1. 00 47.96 N
ATOM 2517 N LEU A 328 1.767 -8.608 43.276 1. 00 17.72 N
ATOM 2518 CA LEU A 328 2.756 -8.036 42.404 1. 00 15.39 C
ATOM 2519 C LEU A 328 3.288 -6.716 42.970 1. 00 16.75 C
ATOM 2520 0 LEU A 328 4.489 -6.543 43.038 1. 00 16.80 0
ATOM 2521 CB LEU A 328 2.177 -7.879 40.968 1. 00 15.31 C
ATOM 2522 CG LEU A 328 3.111 -7.292 39.916 1. 00 12.93 C
ATOM 2523 CD1 LEU A 328 4.373 -8.140 39.757 1. 00 13 .16 C
ATOM 2524 CD2 LEU A 328 2.357 -7.220 38.582 1. 00 17.05 C
ATOM 2525 N LYS A 329 2.396 -5.804 43.378 1. 00 14.27 N
ATOM 2526 CA LYS A 329 2.784 -4.556 44.024 1. 00 16.49 C
ATOM 2527 C LYS A 329 3.638 -4.779 45.273 1. 00 19.23 C
ATOM 2528 0 LYS A 329 4.596 -4.062 45.522 1. 00 17.46 0
ATOM 2529 CB LYS A 329 1.547 -3.675 44.312 1. 00 17.77 C

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Figure IA-47

Atom Type Residue # X Y Z Oee B Type

ATOM 2530 CG LYS A 329 0.975 -2.859 43.120 1. 00 18.58 C
ATOM 2531 CD LYS A 329 -0.530 -2.527 43.318 1. 00 17.26 C
ATOM 2532 CE LYS A 329 -0.934 -1.195 42.776 1. 00 36.62 C
ATOM 2533 NZ LYS A 329 -1.654 -0.467 43.892 1. 00 42.49 N
ATOM 2534 N VAL A 330 3.291 -5.804 46.067 1. 00 18.83 N
ATOM 2535 CA VAL A 330 4.096 -6.142 47.224 1. 00 16.42 C
ATOM 2536 C VAL A 330 5.507 -6.639 46.841 1. 00 15.63 C
ATOM 2537 0 VAL A 330 6.463 -6.269 47.492 1. 00 17.53 0
ATOM 2538 CB VAL A 330 3.365 -7.202 48.102 1. 00 16.77 C
ATOM 2539 CG1 VAL A 330 4.318 -7.751 49.152 1. 00 20.05 C
ATOM 2540 CG2 VAL A 330 2.123 -6.563 48.747 1. 00 13.79 C
ATOM 2541 N LEU A 331 5.620 -7.458 45.785 1. 00 18.80 N
ATOM 2542 CA LEU A 331 6.942 -7.879 45.253 1. 00 16.78 C
ATOM 2543 C LEU A 331 7.748 -6.667 44.785 1. 00 17.27 C
ATOM 2544 0 LEU A 331 8.934 -6.586 45.037 1. 00 16.59 0
ATOM 2545 CB LEU A 331 6.814 -8.845 44.087 1. 00 19.37 C
ATOM 2546 CG LEU A 331 6.409 -10.282 44.455 1. 00 14.06 C
ATOM 2547 CD1 LEU A 331 6.006 -11.046 43.237 1. 00 19.41 C
ATOM 2548 CD2 LEU A 331 7.540 -10.942 45.217 1. 00 14.58 C
ATOM 2549 N ASP A 332 7.098 -5.758 44.071 1. 00 17.81 N
ATOM 2550 CA ASP A 332 7.779 -4.583 43.576 1. 00 18.21 C
ATOM 2551 C ASP A 332 8.334 -3.711 44.725 1. 00 18.66 C
ATOM 2552 0 ASP A 332 9.444 -3.221 44.651 1. 00 19.82 0
ATOM 2553 CB BASP A 332 6.818 -3.677 42.795 0.35 17.87 C
ATOM 2554 CB AASP A 332 6.864 -3.806 42.652 0.65 17.20 C
ATOM 2555 CG BASP A 332 6.377 -4.252 41.477 0.35 16.05 C
ATOM 2556 CG AASP A 332 7.538 -2.625 42.078 0.65 24.26 C
ATOM 2557 OD1BASP A 332 5.301 -3.824 41.012 0.35 20.33 0
ATOM 2558 OD1AASP A 332 8.553 -2.832 41.372 0.65 27.93 0
ATOM 2559 OD2BASP A 332 7.084 -5.098 40.888 0.35 22.58 0
ATOM 2560 OD2AASP A 332 7.069 -1.500 42.344 0.65 27.34 0
ATOM 2561 N CYS A 333 7.529 -3.494 45.761 1. 00 20.04 N
ATOM 2562 CA CYS A 333 7.930 -2.703 46.927 1. 00 17.03 C
ATOM 2563 C CYS A 333 9.068 -3.377 47.658 1. 00 16.86 C
ATOM 2564 0 CYS A 333 9.992 -2.715 48.074 1. 00 16.74 0
ATOM 2565 CB CYS A 333 6.769 -2.524 47.901 1. 00 17.76 C
ATOM 2566 SG CYS A 333 5.500 -1.327 47.363 1. 00 23.03 S
ATOM 2567 N ALA A 334 8.995 -4.712 47.755 1. 00 20.94 N
ATOM 2568 CA ALA A 334 10.031 -5.528 48.396 1. 00 20.07 C
ATOM 2569 C ALA A 334 11.365 -5.392 47.681 1. 00 19.17 C
ATOM 2570 0 ALA A 334 12.375 -5.164 48.318 1. 00 17.32 0
ATOM 2571 CB ALA A 334 9.578 -7.025 48.462 1. 00 20.91 C
ATOM 2572 N MET A 335 11.330 -5.526 46.355 1. 00 20.11 N
ATOM 2573 CA MET A 335 12.476 -5.345 45.496 1. 00 21. 32 C
ATOM 2574 C MET A 335 13 .109 -3.966 45.717 1. 00 19.30 C
ATOM 2575 0 MET A 335 14.331 -3.856 45.956 1. 00 19.26 0
ATOM 2576 CB MET A 335 12.059 -5.459 44.028 1. 00 17.74 C
ATOM 2577 CG MET A 335 13.261 -5.288 43.082 1. 00 14.01 C
ATOM 2578 SD MET A 335 12.795 -5.044 41.408 1. 00 23.35 S
ATOM 2579 CE MET A 335 11.977 -3.442 41.501 1. 00 26.13 C
ATOM 2580 N ASP A 336 12.290 -2.923 45.604 1. 00 18.93 N
ATOM 2581 CA ASP A 336 12.795 -1.566 45.795 1. 00 23.19 C
ATOM 2582 C ASP A 336 13.376 -1.348 47.212 1. 00 20.69 C
ATOM 2583 0 ASP A 336 14.434 -0.731 47.363 1. 00 20.35 0
ATOM 2584 CB ASP A 336 11.746 -0.504 45.447 1. 00 24.14 C

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Figure IA-48

Atom Type Residue # X Y Z Oee B Type

ATOM 2585 CG ASP A 336 11.694 -0.205 43.949 1. 00 28.37 C
ATOM 2586 OD1 ASP A 336 12.756 -0.216 43.302 1. 00 23.20 0
ATOM 2587 OD2 ASP A 336 10.595 0.065 43.429 1. 00 22.25 0
ATOM 2588 N ALA A 337 12.692 -1.854 48.225 1. 00 21. 41 N
ATOM 2589 CA ALA A 337 13.230 -1.775 49.599 1. 00 21.13 C
ATOM 2590 C ALA A 337 14.612 -2.443 49.657 1. 00 21. 38 C
ATOM 2591 0 ALA A 337 15.560 -1.867 50.194 1. 00 21.87 0
ATOM 2592 CB ALA A 337 12.287 -2.428 50.614 1. 00 18.24 C
ATOM 2593 N CYS A 338 14.735 -3.633 49.066 1. 00 20.56 N
ATOM 2594 CA CYS A 338 16.015 -4.333 49.063 1. 00 19.47 C
ATOM 2595 C CYS A 338 17.128 -3.614 48.326 1. 00 22.12 C
ATOM 2596 0 CYS A 338 18.274 -3.618 48.814 1. 00 21.78 0
ATOM 2597 CB CYS A 338 15.875 -5.786 48.544 1. 00 19.50 C
ATOM 2598 SG CYS A 338 14.938 -6.921 49.570 1. 00 24.11 S
ATOM 2599 N ILE A 339 16.807 -3.001 47.161 1. 00 19.96 N
ATOM 2600 CA ILE A 339 17.792 -2.239 46.418 1. 00 21. 41 C
ATOM 2601 C ILE A 339 18.310 -1.072 47.272 1. 00 26.02 C
ATOM 2602 0 ILE A 339 19.512 -0.851 47.354 1. 00 25.36 0
ATOM 2603 CB ILE A 339 17.272 -1.694 45.038 1. 00 21.67 C
ATOM 2604 CG1 ILE A 339 16.912 -2.850 44.102 1. 00 16.49 C
ATOM 2605 CD1 ILE A 339 16.177 -2.459 42.773 1. 00 16.81 C
ATOM 2606 CG2 ILE A 339 18.339 -0.783 44.390 1. 00 19.26 C
ATOM 2607 N ASN A 340 17.400 -0.351 47.914 1. 00 25.93 N
ATOM 2608 CA ASN A 340 17.767 0.803 48.714 1. 00 28.12 C
ATOM 2609 C ASN A 340 18.554 0.449 49.984 1. 00 27.63 C
ATOM 2610 0 ASN A 340 19.406 1. 212 50.428 1. 00 30.89 0
ATOM 2611 CB ASN A 340 16.530 1.637 49.017 1. 00 26.54 C
ATOM 2612 CG ASN A 340 16.132 2.526 47.823 1. 00 32.94 C
ATOM 2613 OD1 ASN A 340 16.729 3.575 47.596 1. 00 32.52 0
ATOM 2614 ND2 ASN A 340 15.141 2.090 47.053 1. 00 27.29 N
ATOM 2615 N LEU A 341 18.287 -0.724 50.522 1. 00 25.74 N
ATOM 2616 CA LEU A 341 19.036 -1.261 51.657 1. 00 26.82 C
ATOM 2617 C LEU A 341 20.275 -2.067 51.246 1. 00 28.93 C
ATOM 2618 0 LEU A 341 20.942 -2.657 52.101 1. 00 32.02 0
ATOM 2619 CB LEU A 341 18.127 -2.157 52.477 1. 00 26.62 C
ATOM 2620 CG LEU A 341 16.867 -1.541 53.081 1. 00 31. 47 C
ATOM 2621 CD1 LEU A 341 15.906 -2.656 53.484 1. 00 25.58 C
ATOM 2622 CD2 LEU A 341 17.203 -0.619 54.247 1. 00 38.59 C
ATOM 2623 N GLY A 342 20.569 -2.133 49.950 1. 00 28.18 N
ATOM 2624 CA GLY A 342 21.693 -2.930 49.472 1. 00 30.47 C
ATOM 2625 C GLY A 342 21.578 -4.435 49.658 1. 00 31.11 C
ATOM 2626 0 GLY A 342 22.590 -5.144 49.720 1. 00 34.76 0
ATOM 2627 N LEU A 343 20.352 -4.941 49.735 1. 00 29.97 N
ATOM 2628 CA LEU A 343 20.123 -6.385 49.832 1. 00 27.68 C
ATOM 2629 C LEU A 343 19.858 -6.945 48.436 1. 00 26.79 C
ATOM 2630 0 LEU A 343 18.728 -7.277 48.090 1. 00 29.47 0
ATOM 2631 CB LEU A 343 18.978 -6.685 50.804 1. 00 29.43 C
ATOM 2632 CG LEU A 343 19.143 -6.117 52.217 1. 00 33.59 C
ATOM 2633 CD1 LEU A 343 17.845 -6.207 53.004 1. 00 32.53 C
ATOM 2634 CD2 LEU A 343 20.288 -6.809 52.995 1. 00 35.99 C
ATOM 2635 N LEU A 344 20.930 -7.039 47.649 1. 00 26.84 N
ATOM 2636 CA LEU A 344 20.862 -7.223 46.189 1. 00 25.79 C
ATOM 2637 C LEU A 344 20.471 -8.606 45.701 1. 00 27.33 C
ATOM 2638 0 LEU A 344 19.773 -8.740 44.698 1. 00 25.06 0
ATOM 2639 CB LEU A 344 22.153 -6.720 45.525 1. 00 27.07 C

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Figure IA-49

Atom Type Residue # X Y Z Oee B Type

ATOM 2640 CG LEU A 344 22.505 -5.259 45.858 1. 00 34.02 C
ATOM 2641 CD1 LEU A 344 23.639 -4.714 44.985 1. 00 40.06 C
ATOM 2642 CD2 LEU A 344 21.273 -4.341 45.778 1. 00 28.04 C
ATOM 2643 N GLU A 345 20.909 -9.638 46.414 1. 00 27.46 N
ATOM 2644 CA GLU A 345 20.455 -10.996 46.129 1. 00 30.22 C
ATOM 2645 C GLU A 345 18.940 -11.138 46.358 1. 00 25.18 C
ATOM 2646 0 GLU A 345 18.239 -11.664 45.505 1. 00 25.51 0
ATOM 2647 CB GLU A 345 21.223 -12.016 46.981 1. 00 30.76 C
ATOM 2648 CG GLU A 345 20.940 -13.466 46.601 1. 00 39.04 C
ATOM 2649 CD GLU A 345 21. 817 -14.480 47.346 1. 00 40.46 C
ATOM 2650 OE1 GLU A 345 22.943 -14.125 47.776 1. 00 51.63 0
ATOM 2651 OE2 GLU A 345 21.373 -15.644 47.486 1. 00 54.28 0
ATOM 2652 N GLU A 346 18.470 -10.674 47.511 1. 00 24.80 N
ATOM 2653 CA GLU A 346 17.042 -10.646 47.839 1. 00 24.95 C
ATOM 2654 C GLU A 346 16.256 -9.796 46.838 1. 00 20.51 C
ATOM 2655 0 GLU A 346 15.164 -10.181 46.453 1. 00 20.26 0
ATOM 2656 CB GLU A 346 16.775 -10.165 49.281 1. 00 23.02 C
ATOM 2657 CG GLU A 346 15.356 -10.530 49.790 1. 00 25.15 C
ATOM 2658 CD GLU A 346 15.129 -10.285 51.273 1. 00 26.87 C
ATOM 2659 OE1 GLU A 346 16.090 - 9.915 51.966 1. 00 31.51 0
ATOM 2660 OE2 GLU A 346 13.975 -10.442 51.748 1. 00 30.63 0
ATOM 2661 N ALA A 347 16.829 -8.670 46.400 1. 00 24.53 N
ATOM 2662 CA ALA A 347 16.147 -7.761 45.465 1. 00 19.41 C
ATOM 2663 C ALA A 347 15.932 -8.462 44.144 1. 00 19.66 C
ATOM 2664 0 ALA A 347 14.878 -8.337 43.513 1. 00 18.87 0
ATOM 2665 CB ALA A 347 16.964 -6.514 45.248 1. 00 19.99 C
ATOM 2666 N LEU A 348 16.949 -9.204 43.708 1. 00 20.14 N
ATOM 2667 CA LEU A 348 16.823 -9.940 42.470 1. 00 19.09 C
ATOM 2668 C LEU A 348 15.793 -11.038 42.622 1. 00 18.32 C
ATOM 2669 0 LEU A 348 15.099 -11.390 41.680 1. 00 20.14 0
ATOM 2670 CB LEU A 348 18.172 -10.489 42.039 1. 00 21. 49 C
ATOM 2671 CG LEU A 348 18.246 -11.357 40.779 1. 00 19.27 C
ATOM 2672 CD1 LEU A 348 17.762 -10.563 39.604 1. 00 20.16 C
ATOM 2673 CD2 LEU A 348 19.699 -11.760 40.627 1. 00 21.64 C
ATOM 2674 N PHE A 349 15.717 -11.612 43.811 1. 00 21.94 N
ATOM 2675 CA PHE A 349 14.749 -12.688 44.050 1. 00 21. 37 C
ATOM 2676 C PHE A 349 13.305 -12.171 43.800 1. 00 20.19 C
ATOM 2677 0 PHE A 349 12.518 -12.803 43.094 1. 00 21.08 0
ATOM 2678 CB PHE A 349 14.907 -13.261 45.470 1. 00 21.65 C
ATOM 2679 CG PHE A 349 13.831 -14.236 45.852 1. 00 21. 37 C
ATOM 2680 CD1 PHE A 349 13.673 -15.435 45.165 1. 00 27.12 C
ATOM 2681 CE1 PHE A 349 12.651 -16.347 45.524 1. 00 31.63 C
ATOM 2682 CZ PHE A 349 11.795 -16.046 46.602 1. 00 22.88 C
ATOM 2683 CE2 PHE A 349 11.945 -14.848 47.269 1. 00 24.39 C
ATOM 2684 CD2 PHE A 349 12.968 -13.952 46.911 1. 00 21.62 C
ATOM 2685 N TYR A 350 13.002 -10.988 44.326 1. 00 22.96 N
ATOM 2686 CA TYR A 350 11.673 -10.373 44.123 1. 00 21.06 C
ATOM 2687 C TYR A 350 11.467 -9.818 42.707 1. 00 17.58 C
ATOM 2688 0 TYR A 350 10.431 -10.013 42.120 1. 00 21.05 0
ATOM 2689 CB TYR A 350 11.391 -9.299 45.192 1. 00 18.41 C
ATOM 2690 CG TYR A 350 11.465 -9.819 46.594 1. 00 20.98 C
ATOM 2691 CD1 TYR A 350 10.800 -11.003 46.973 1. 00 28.38 C
ATOM 2692 CE1 TYR A 350 10.892 -11.495 48.282 1. 00 26.81 C
ATOM 2693 CZ TYR A 350 11.651 -10.791 49.200 1. 00 20.62 C
ATOM 2694 OH TYR A 350 11.762 -11.217 50.501 1. 00 25.55 0

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Figure lA-50

Atom Type Residue # X Y Z Oee B Type

ATOM 2695 CE2 TYR A 350 12.305 -9.616 48.836 1. 00 21.52 C
ATOM 2696 CD2 TYR A 350 12.223 -9.158 47.542 1. 00 22.04 C
ATOM 2697 N GLY A 351 12.479 -9.160 42.169 1. 00 20.65 N
ATOM 2698 CA GLY A 351 12.418 -8.544 40.852 1. 00 18.03 C
ATOM 2699 C GLY A 351 12.239 -9.540 39.737 1. 00 17.00 C
ATOM 2700 0 GLY A 351 11.428 -9.326 38.837 1. 00 20.41 0
ATOM 2701 N THR A 352 12.949 -10.663 39.815 1. 00 19.70 N
ATOM 2702 CA THR A 352 12.787 -11.716 38.811 1. 00 20.52 C
ATOM 2703 C THR A 352 11.327 -12.159 38.707 1. 00 18.75 C
ATOM 2704 0 THR A 352 10.842 -12.354 37.610 1. 00 19.50 0
ATOM 2705 CB THR A 352 13.744 -12.912 39.029 1. 00 20.81 C
ATOM 2706 OG1 THR A 352 15.091 -12.442 39.007 1. 00 22.29 0
ATOM 2707 CG2 THR A 352 13.593 -13.978 37.950 1. 00 25.48 C
ATOM 2708 N ARG A 353 10.641 -12.274 39.849 1. 00 18.66 N
ATOM 2709 CA ARG A 353 9.250 -12.753 39.898 1. 00 18.80 C
ATOM 2710 C ARG A 353 8.256 -11.742 39.268 1. 00 19.02 C
ATOM 2711 0 ARG A 353 7.167 -12.125 38.833 1. 00 20.87 0
ATOM 2712 CB ARG A 353 8.869 -13.096 41.351 1. 00 16.43 C
ATOM 2713 CG ARG A 353 9.581 -14.366 41. 91 7 1. 00 21. 29 C
ATOM 2714 CD ARG A 353 9.446 -14.520 43.422 1. 00 20.80 C
ATOM 2715 NE ARG A 353 8.061 -14.618 43.851 1. 00 18.83 N
ATOM 2716 CZ ARG A 353 7.678 -14.817 45.106 1. 00 17.00 C
ATOM 2717 NH1 ARG A 353 8.563 -14.932 46.081 1. 00 20.46 N
ATOM 2718 NH2 ARG A 353 6.405 -14.876 45.381 1. 00 17.05 N
ATOM 2719 N THR A 354 8.656 -10.471 39.191 1. 00 18.45 N
ATOM 2720 CA THR A 354 7.810 -9.441 38.568 1. 00 16.83 C
ATOM 2721 C THR A 354 7.889 -9.401 37.053 1. 00 16.64 C
ATOM 2722 0 THR A 354 7.081 -8.717 36.426 1. 00 19.56 0
ATOM 2723 CB THR A 354 8.134 -8.011 39.071 1. 00 16.66 C
ATOM 2724 OG1 THR A 354 9.401 -7.598 38.556 1. 00 16.55 0
ATOM 2725 CG2 THR A 354 8.128 -7.957 40.593 1. 00 17.91 C
ATOM 2726 N MET A 355 8.876 -10.083 36.467 1. 00 15.47 N
ATOM 2727 CA MET A 355 9.149 -9.939 35.036 1. 00 18.19 C
ATOM 2728 C MET A 355 8.009 -10.346 34.111 1. 00 18.61 C
ATOM 2729 0 MET A 355 7.603 -9.543 33.279 1. 00 18.82 0
ATOM 2730 CB MET A 355 10.490 -10.574 34.635 1. 00 19.23 C
ATOM 2731 CG MET A 355 11.747 -9.853 35.214 1. 00 22.31 C
ATOM 2732 SD MET A 355 12.184 -8.278 34.444 1. 00 23.00 S
ATOM 2733 CE MET A 355 11.406 -7.122 35.546 1. 00 30.67 C
ATOM 2734 N GLU A 356 7.489 -11.585 34.213 1. 00 18.16 N
ATOM 2735 CA GLU A 356 6.408 -11.965 33.314 1. 00 16.86 C
ATOM 2736 C GLU A 356 5.109 -11.168 33.514 1. 00 15.98 C
ATOM 2737 0 GLU A 356 4.515 -10.752 32.538 1. 00 17.71 0
ATOM 2738 CB GLU A 356 6.150 -13.494 33.230 1. 00 14.31 C
ATOM 2739 CG GLU A 356 5.058 -13.858 32.249 1. 00 18.97 C
ATOM 2740 CD GLU A 356 5.425 -13.667 30.768 1. 00 20.17 C
ATOM 2741 OE1 GLU A 356 6.558 -13.254 30.470 1. 00 26.26 0
ATOM 2742 OE2 GLU A 356 4.545 -13.913 29.911 1. 00 29.73 0
ATOM 2743 N PRO A 357 4.671 -10.952 34.772 1. 00 14.52 N
ATOM 2744 CA PRO A 357 3.524 -10.087 34.972 1. 00 13.79 C
ATOM 2745 C PRO A 357 3.706 -8.675 34.408 1. 00 12.24 C
ATOM 2746 0 PRO A 357 2.756 -8.138 33.842 1. 00 13.06 0
ATOM 2747 CB PRO A 357 3.378 -10.071 36.526 1. 00 14.21 C
ATOM 2748 CG PRO A 357 3.863 -11.390 36.903 1. 00 15.69 C
ATOM 2749 CD PRO A 357 5.134 -11.493 36.055 1. 00 15.32 C

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Figure lA-51

Atom Type Residue # X Y Z Oee B Type

ATOM 2750 N TYR A 358 4.904 -8.091 34.544 1. 00 14.97 N
ATOM 2751 CA TYR A 358 5.179 -6.764 33.932 1. 00 16.38 C
ATOM 2752 C TYR A 358 5.080 -6.774 32.398 1. 00 17.08 C
ATOM 2753 0 TYR A 358 4.597 -5.819 31.799 1. 00 16.37 0
ATOM 2754 CB TYR A 358 6.538 -6.172 34.398 1. 00 17.63 C
ATOM 2755 CG TYR A 358 6.444 -5.242 35.591 1. 00 18.48 C
ATOM 2756 CD1 TYR A 358 5.755 -5.639 36.759 1. 00 17.46 C
ATOM 2757 CE1 TYR A 358 5.658 -4.820 37.850 1. 00 16.10 C
ATOM 2758 CZ TYR A 358 6.284 -3.590 37.849 1. 00 15.86 C
ATOM 2759 OH TYR A 358 6.147 -2.844 38.970 1. 00 19.88 0
ATOM 2760 CE2 TYR A 358 6.990 -3.141 36.723 1. 00 18.92 C
ATOM 2761 CD2 TYR A 358 7.076 -3.986 35.594 1. 00 20.00 C
ATOM 2762 N ARG A 359 5.506 -7.874 31.769 1. 00 19.65 N
ATOM 2763 CA ARG A 359 5.392 -8.013 30.346 1. 00 17.11 C
ATOM 2764 C ARG A 359 3.916 -8.036 29.948 1. 00 17.55 C
ATOM 2765 0 ARG A 359 3.550 -7.448 28.946 1. 00 17.90 0
ATOM 2766 CB ARG A 359 6.117 -9.261 29.837 1. 00 19.80 C
ATOM 2767 CG ARG A 359 6.265 -9.295 28.281 1. 00 19.40 C
ATOM 2768 CD ARG A 359 6.818 -10.666 27.790 1. 00 20.60 C
ATOM 2769 NE ARG A 359 5.821 -11.683 28.129 1. 00 24.65 N
ATOM 2770 CZ ARG A 359 4.754 -11.928 27.365 1. 00 25.07 C
ATOM 2771 NH1 ARG A 359 4.593 -11.284 26.218 1. 00 36.63 N
ATOM 2772 NH2 ARG A 359 3.867 -12.817 27.727 1. 00 29.56 N
ATOM 2773 N ILE A 360 3.080 -8.726 30.730 1. 00 16.49 N
ATOM 2774 CA ILE A 360 1.643 -8.774 30.495 1. 00 17.45 C
ATOM 2775 C ILE A 360 0.945 -7.405 30.718 1. 00 17.67 C
ATOM 2776 0 ILE A 360 0.163 -6.972 29.899 1. 00 18.44 0
ATOM 2777 CB ILE A 360 0.930 -9.906 31.363 1. 00 20.18 C
ATOM 2778 CG1 ILE A 360 1.515 -11.312 31.125 1. 00 17.24 C
ATOM 2779 CD1 ILE A 360 1.560 -11.743 29.686 1. 00 33.91 C
ATOM 2780 CG2 ILE A 360 -0.579 -9.905 31.140 1. 00 17.24 C
ATOM 2781 N PHE A 361 1. 253 -6.731 31.818 1. 00 19.38 N
ATOM 2782 CA PHE A 361 0.459 -5.605 32.275 1. 00 17.09 C
ATOM 2783 C PHE A 361 0.955 -4.243 31.758 1. 00 16.90 C
ATOM 2784 0 PHE A 361 0.256 -3.215 31.865 1. 00 16.22 0
ATOM 2785 CB PHE A 361 0.399 -5.576 33.809 1. 00 13.73 C
ATOM 2786 CG PHE A 361 -0.372 -6.714 34.415 1. 00 15.80 C
ATOM 2787 CD1 PHE A 361 -1.601 -7.106 33.879 1. 00 19.00 C
ATOM 2788 CE1 PHE A 361 -2.298 -8.164 34.422 1. 00 13 .28 C
ATOM 2789 CZ PHE A 361 -1.806 -8.794 35.521 1. 00 16.30 C
ATOM 2790 CE2 PHE A 361 -0.594 -8.395 36.091 1. 00 17.86 C
ATOM 2791 CD2 PHE A 361 0.118 -7.383 35.538 1. 00 13 .35 C
ATOM 2792 N PHE A 362 2.168 -4.237 31.241 1. 00 16.32 N
ATOM 2793 CA PHE A 362 2.744 -3.015 30.636 1. 00 17.75 C
ATOM 2794 C PHE A 362 3.029 -3.273 29.131 1. 00 14.78 C
ATOM 2795 0 PHE A 362 4.161 -3.321 28.722 1. 00 20.90 0
ATOM 2796 CB PHE A 362 4.032 -2.596 31.365 1. 00 15.95 C
ATOM 2797 CG PHE A 362 3.830 -2.208 32.806 1. 00 11.59 C
ATOM 2798 CD1 PHE A 362 3.723 -0.870 33.177 1. 00 14.77 C
ATOM 2799 CE1 PHE A 362 3.538 -0.507 34.534 1. 00 12.73 C
ATOM 2800 CZ PHE A 362 3.461 -1.523 35.520 1. 00 13.90 C
ATOM 2801 CE2 PHE A 362 3.581 -2.840 35.163 1. 00 11.38 C
ATOM 2802 CD2 PHE A 362 3.794 -3.192 33.806 1. 00 16.05 C
ATOM 2803 N PRO A 363 1.999 -3.420 28.325 1. 00 19.48 N
ATOM 2804 CA PRO A 363 2.253 -3.836 26.927 1. 00 19.34 C

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Figure lA-52

Atom Type Residue # X Y Z Oee B Type

ATOM 2805 C PRO A 363 2.937 -2.770 26.076 1. 00 18.70 C
ATOM 2806 0 PRO A 363 2.900 -1.566 26.418 1. 00 17.94 0
ATOM 2807 CB PRO A 363 0.869 -4.182 26.411 1. 00 16.58 C
ATOM 2808 CG PRO A 363 -0.053 -3.301 27.217 1. 00 24.29 C
ATOM 2809 CD PRO A 363 0.563 -3.228 28.597 1. 00 20.05 C
ATOM 2810 N GLY A 364 3.607 -3.216 25.013 1. 00 18.28 N
ATOM 2811 CA GLY A 364 4.359 -2.304 24.147 1. 00 22.54 C
ATOM 2812 C GLY A 364 5.553 -1.670 24.845 1. 00 17.65 C
ATOM 2813 0 GLY A 364 6.389 -2.366 25.391 1. 00 19.77 0
ATOM 2814 N SER A 365 5.616 -0.335 24.835 1. 00 19.18 N
ATOM 2815 CA SER A 365 6.739 0.391 25.395 1. 00 19.03 C
ATOM 2816 C SER A 365 6.255 1. 320 26.495 1. 00 17.34 C
ATOM 2817 0 SER A 365 5.637 2.355 26.216 1. 00 16.35 0
ATOM 2818 CB SER A 365 7.461 1. 200 24.304 1. 00 23.90 C
ATOM 2819 OG SER A 365 7.985 0.341 23.311 1. 00 20.22 0
ATOM 2820 N HIS A 366 6.525 0.923 27.740 1. 00 15.16 N
ATOM 2821 CA HIS A 366 6.118 1.701 28.907 1. 00 16.33 C
ATOM 2822 C HIS A 366 7.319 1.958 29.786 1. 00 15.96 C
ATOM 2823 0 HIS A 366 8.065 1.027 30.073 1. 00 15.71 0
ATOM 2824 CB HIS A 366 5.044 0.928 29.695 1. 00 15.45 C
ATOM 2825 CG HIS A 366 4.324 1.774 30.690 1. 00 11.51 C
ATOM 2826 ND1 HIS A 366 4.935 2.291 31.814 1. 00 12.75 N
ATOM 2827 CE1 HIS A 366 4.041 2.962 32.520 1. 00 13.91 C
ATOM 2828 NE2 HIS A 366 2.877 2.901 31.893 1. 00 11.95 N
ATOM 2829 CD2 HIS A 366 3.028 2.160 30.747 1. 00 15.02 C
ATOM 2830 N PRO A 367 7.517 3.221 30.224 1. 00 12.11 N
ATOM 2831 CA PRO A 367 8.757 3.522 30.922 1. 00 13.76 C
ATOM 2832 C PRO A 367 8.912 2.775 32.223 1. 00 13.60 C
ATOM 2833 0 PRO A 367 10.015 2.516 32.619 1. 00 14.13 0
ATOM 2834 CB PRO A 367 8.665 5.046 31.191 1. 00 13.65 C
ATOM 2835 CG PRO A 367 7.235 5.338 31.142 1. 00 17.05 C
ATOM 2836 CD PRO A 367 6.701 4.432 30.053 1. 00 10.90 C
ATOM 2837 N VAL A 368 7.814 2.439 32.881 1. 00 14.53 N
ATOM 2838 CA VAL A 368 7.906 1.713 34.144 1. 00 15.22 C
ATOM 2839 C VAL A 368 8.447 0.295 33.954 1. 00 13.66 C
ATOM 2840 0 VAL A 368 9.262 -0.192 34.767 1. 00 13.91 0
ATOM 2841 CB VAL A 368 6.555 1.727 34.874 1. 00 15.13 C
ATOM 2842 CG1 VAL A 368 6.570 0.716 36.075 1. 00 14.99 C
ATOM 2843 CG2 VAL A 368 6.258 3.146 35.316 1. 00 14.48 C
ATOM 2844 N ARG A 369 8.018 -0.366 32.886 1. 00 14.38 N
ATOM 2845 CA ARG A 369 8.588 -1.656 32.567 1. 00 17.07 C
ATOM 2846 C ARG A 369 10.084 -1.559 32.127 1. 00 15.60 C
ATOM 2847 0 ARG A 369 10.906 -2.358 32.553 1. 00 15.02 0
ATOM 2848 CB ARG A 369 7.760 -2.399 31.521 1. 00 15.24 C
ATOM 2849 CG ARG A 369 8.372 -3.747 31.153 1. 00 17.34 C
ATOM 2850 CD ARG A 369 7.511 -4.598 30.215 1. 00 13.09 C
ATOM 2851 NE ARG A 369 8.179 -5.870 29.991 1. 00 20.01 N
ATOM 2852 CZ ARG A 369 8.560 -6.362 28.815 1. 00 21. 23 C
ATOM 2853 NH1 ARG A 369 8.311 -5.727 27.688 1. 00 25.90 N
ATOM 2854 NH2 ARG A 369 9.205 -7.502 28.779 1. 00 19.06 N
ATOM 2855 N GLY A 370 10.411 -0.570 31. 312 1. 00 16.00 N
ATOM 2856 CA GLY A 370 11.790 -0.356 30.920 1. 00 16.53 C
ATOM 2857 C GLY A 370 12.666 -0.202 32.151 1. 00 15.40 C
ATOM 2858 0 GLY A 370 13.729 -0.784 32.233 1. 00 17.14 0
ATOM 2859 N VAL A 371 12.223 0.586 33.113 1. 00 16.20 N

52/138
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Figure lA-53

Atom Type Residue # X Y Z Oee B Type

ATOM 2860 CA VAL A 371 12.996 0.769 34.340 1. 00 15.95 C
ATOM 2861 C VAL A 371 13.088 -0.522 35.177 1. 00 16.92 C
ATOM 2862 0 VAL A 371 14.162 -0.825 35.709 1. 00 14.99 0
ATOM 2863 CB VAL A 371 12.473 1.976 35.185 1. 00 15.63 C
ATOM 2864 CG1 VAL A 371 13.013 1.924 36.653 1. 00 14.68 C
ATOM 2865 CG2 VAL A 371 12.782 3.312 34.437 1. 00 17.62 C
ATOM 2866 N GLN A 372 11.992 -1.279 35.238 1. 00 16.42 N
ATOM 2867 CA GLN A 372 11.971 -2.532 35.982 1. 00 15.41 C
ATOM 2868 C GLN A 372 12.954 -3.533 35.410 1. 00 14.35 C
ATOM 2869 0 GLN A 372 13.766 -4.103 36.158 1. 00 18.63 0
ATOM 2870 CB GLN A 372 10.565 -3.133 36.031 1. 00 16.77 C
ATOM 2871 CG GLN A 372 10.455 -4.250 37.068 1. 00 10.65 C
ATOM 2872 CD GLN A 372 10.022 -3.790 38.447 1. 00 17.09 C
ATOM 2873 OE1 GLN A 372 10.147 -2.620 38.804 1. 00 25.03 0
ATOM 2874 NE2 GLN A 372 9.501 -4.719 39.233 1. 00 22.90 N
ATOM 2875 N VAL A 373 12.933 -3.683 34.089 1. 00 16.22 N
ATOM 2876 CA VAL A 373 13.837 -4.618 33.377 1. 00 17.44 C
ATOM 2877 C VAL A 373 15.310 -4.191 33.581 1. 00 14.96 C
ATOM 2878 0 VAL A 373 16.163 -5.020 33.844 1. 00 17.90 0
ATOM 2879 CB VAL A 373 13.455 -4.754 31.874 1. 00 15.24 C
ATOM 2880 CG1 VAL A 373 14.425 -5.649 31.121 1. 00 15.69 C
ATOM 2881 CG2 VAL A 373 12.060 -5.395 31.751 1. 00 11.18 C
ATOM 2882 N MET A 374 15.585 -2.893 33.479 1. 00 17.02 N
ATOM 2883 CA MET A 374 16.906 -2.369 33.764 1. 00 18.07 C
ATOM 2884 C MET A 374 17.365 -2.700 35.181 1. 00 17.14 C
ATOM 2885 0 MET A 374 18.525 -3.078 35.379 1. 00 18.29 0
ATOM 2886 CB MET A 374 16.932 -0.856 33.538 1. 00 18.07 C
ATOM 2887 CG MET A 374 18.258 -0.205 33.863 1. 00 16.37 C
ATOM 2888 SD MET A 374 18.313 1.548 33.423 1. 00 22.42 S
ATOM 2889 CE MET A 374 19.921 2.035 34.037 1. 00 24.93 C
ATOM 2890 N LYS A 375 16.467 -2.559 36.167 1. 00 15.68 N
ATOM 2891 CA LYS A 375 16.791 -2.899 37.564 1. 00 14.18 C
ATOM 2892 C LYS A 375 17.166 -4.384 37.714 1. 00 16.86 C
ATOM 2893 0 LYS A 375 18.132 -4.714 38.384 1. 00 15.54 0
ATOM 2894 CB LYS A 375 15.634 -2.528 38.524 1. 00 15.72 C
ATOM 2895 CG LYS A 375 15.622 -1.061 38.944 1. 00 15.31 C
ATOM 2896 CD LYS A 375 14.309 -0.776 39.737 1. 00 17.15 C
ATOM 2897 CE LYS A 375 14.055 0.690 39.992 1. 00 15.29 C
ATOM 2898 NZ LYS A 375 12.762 0.819 40.734 1. 00 23.76 N
ATOM 2899 N VAL A 376 16.415 -5.254 37.061 1. 00 17.09 N
ATOM 2900 CA VAL A 376 16.690 -6.685 37.141 1. 00 19.54 C
ATOM 2901 C VAL A 376 18.004 -7.027 36.428 1. 00 18.21 C
ATOM 2902 0 VAL A 376 18.826 -7.759 36.988 1. 00 18.20 0
ATOM 2903 CB VAL A 376 15.510 -7.542 36.648 1. 00 19.50 C
ATOM 2904 CG1 VAL A 376 15.942 -9.028 36.460 1. 00 18.01 C
ATOM 2905 CG2 VAL A 376 14.346 -7.429 37.618 1. 00 19.40 C
ATOM 2906 N GLY A 377 18.191 -6.482 35.220 1. 00 20.79 N
ATOM 2907 CA GLY A 377 19.470 -6.584 34.489 1. 00 18.85 C
ATOM 2908 C GLY A 377 20.690 -6.163 35.295 1. 00 19.38 C
ATOM 2909 0 GLY A 377 21.684 -6.878 35.337 1. 00 21.54 0
ATOM 2910 N LYS A 378 20.609 -5.011 35.951 1. 00 21. 47 N
ATOM 2911 CA LYS A 378 21.667 -4.486 36.813 1. 00 22.16 C
ATOM 2912 C LYS A 378 21.957 -5.397 38.007 1. 00 23.57 C
ATOM 2913 0 LYS A 378 23.124 -5.613 38.355 1. 00 23.53 0
ATOM 2914 CB LYS A 378 21.297 -3.090 37.314 1. 00 24.78 C

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Figure lA-54

Atom Type Residue # X Y Z Oee B Type

ATOM 2915 CG LYS A 378 22.359 -2.407 38.134 1. 00 26.41 C
ATOM 2916 CD LYS A 378 22.032 -0.947 38.389 1. 00 35.00 C
ATOM 2917 CE LYS A 378 23.197 -0.271 39.121 1. 00 40.36 C
ATOM 2918 NZ LYS A 378 22.958 1.184 39.353 1. 00 40.63 N
ATOM 2919 N LEU A 379 20.899 -5.889 38.654 1. 00 22.46 N
ATOM 2920 CA LEU A 379 21.043 -6.893 39.721 1. 00 23.88 C
ATOM 2921 C LEU A 379 21.701 -8.183 39.247 1. 00 22.70 C
ATOM 2922 0 LEU A 379 22.547 -8.740 39.943 1. 00 28.37 0
ATOM 2923 CB LEU A 379 19.692 -7.225 40.371 1. 00 20.64 C
ATOM 2924 CG LEU A 379 19.045 -6.112 41.198 1. 00 21.68 C
ATOM 2925 CD1 LEU A 379 17.619 -6.495 41.513 1. 00 22.87 C
ATOM 2926 CD2 LEU A 379 19.821 -5.792 42.458 1. 00 25.74 C
ATOM 2927 N GLN A 380 21.289 -8.668 38.087 1. 00 22.25 N
ATOM 2928 CA GLN A 380 21.911 -9.849 37.484 1. 00 20.51 C
ATOM 2929 C GLN A 380 23.409 -9.657 37.214 1. 00 24.27 C
ATOM 2930 0 GLN A 380 24.229 -10.516 37.556 1. 00 25.24 0
ATOM 2931 CB GLN A 380 21.146 -10.236 36.245 1. 00 20.38 C
ATOM 2932 CG GLN A 380 19.868 -10.975 36.585 1. 00 22.20 C
ATOM 2933 CD GLN A 380 18.925 -11.214 35.431 1. 00 23.72 C
ATOM 2934 OE1 GLN A 380 18.077 -12.111 35.496 1. 00 32.71 0
ATOM 2935 NE2 GLN A 380 19.032 -10.419 34.388 1. 00 18.11 N
ATOM 2936 N LEU A 381 23.756 -8.506 36.635 1. 00 25.82 N
ATOM 2937 CA LEU A 381 25.137 -8.156 36.375 1. 00 25.98 C
ATOM 2938 C LEU A 381 25.915 -8.121 37.681 1. 00 28.55 C
ATOM 2939 0 LEU A 381 27.033 -8.653 37.750 1. 00 31.07 0
ATOM 2940 CB LEU A 381 25.228 -6.817 35.614 1. 00 23.73 C
ATOM 2941 CG LEU A 381 26.610 -6.177 35.472 1. 00 22.10 C
ATOM 2942 CD1 LEU A 381 27.538 -7.090 34.666 1. 00 26.15 C
ATOM 2943 CD2 LEU A 381 26.466 -4.803 34.849 1. 00 28.07 C
ATOM 2944 N HIS A 382 25.326 -7.531 38.717 1. 00 30.35 N
ATOM 2945 CA HIS A 382 25.927 -7.542 40.040 1. 00 35.32 C
ATOM 2946 C HIS A 382 26.182 -8.968 40.544 1. 00 36.04 C
ATOM 2947 0 HIS A 382 27.245 -9.253 41.096 1. 00 38.54 0
ATOM 2948 CB HIS A 382 25.052 -6.807 41.049 1. 00 36.13 C
ATOM 2949 CG HIS A 382 25.709 -6.631 42.383 1. 00 48.43 C
ATOM 2950 ND1 HIS A 382 25.560 -7.537 43.412 1. 00 52.67 N
ATOM 2951 CE1 HIS A 382 26.263 -7.132 44.456 1. 00 54.13 C
ATOM 2952 NE2 HIS A 382 26.872 -6.003 44.137 1. 00 53.77 N
ATOM 2953 CD2 HIS A 382 26.547 -5.670 42.844 1. 00 52.65 C
ATOM 2954 N GLN A 383 25.203 -9.851 40.350 1. 00 36.57 N
ATOM 2955 CA GLN A 383 25.278 -11.247 40.798 1. 00 39.43 C
ATOM 2956 C GLN A 383 26.109 -12.139 39.858 1. 00 40.50 C
ATOM 2957 0 GLN A 383 26.194 -13.358 40.052 1. 00 41. 43 0
ATOM 2958 CB GLN A 383 23.864 -11.829 40.966 1. 00 40.84 C
ATOM 2959 CG GLN A 383 23.029 -11.150 42.051 1. 00 45.74 C
ATOM 2960 CD GLN A 383 23.467 -11.532 43.448 1. 00 54.23 C
ATOM 2961 OE1 GLN A 383 23.265 -12.668 43.885 1. 00 59.21 0
ATOM 2962 NE2 GLN A 383 24.065 -10.581 44.165 1. 00 53.51 N
ATOM 2963 N GLY A 384 26.707 -11.531 38.835 1. 00 39.45 N
ATOM 2964 CA GLY A 384 27.582 -12.247 37.914 1. 00 37.17 C
ATOM 2965 C GLY A 384 26.854 -13.125 36.921 1. 00 34.85 C
ATOM 2966 0 GLY A 384 27.466 -13.981 36.280 1. 00 36.55 0
ATOM 2967 N MET A 385 25.554 -12.906 36.763 1. 00 30.86 N
ATOM 2968 CA MET A 385 24.777 -13.678 35.819 1. 00 31.82 C
ATOM 2969 C MET A 385 24.777 -12.975 34.464 1. 00 31.05 C

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Figure lA-55

Atom Type Residue # X Y Z Oee B Type

ATOM 2970 0 MET A 385 23.746 -12.489 33.999 1. 00 29.66 0
ATOM 2971 CB MET A 385 23.354 -13.901 36.332 1. 00 29.67 C
ATOM 2972 CG MET A 385 23.276 -14.396 37.770 1. 00 34.99 C
ATOM 2973 SD MET A 385 21.640 -14.114 38.478 1. 00 38.81 S
ATOM 2974 CE MET A 385 20.604 -14.970 37.297 1. 00 30.63 C
ATOM 2975 N PHE A 386 25.941 -12.968 33.817 1. 00 32.30 N
ATOM 2976 CA PHE A 386 26.149 -12.171 32.609 1. 00 29.36 C
ATOM 2977 C PHE A 386 25.243 -12.420 31.418 1. 00 29.52 C
ATOM 2978 0 PHE A 386 24.759 -11.460 30.828 1. 00 34.86 0
ATOM 2979 CB PHE A 386 27.623 -12.145 32.206 1. 00 27.78 C
ATOM 2980 CG PHE A 386 28.535 -11.882 33.344 1. 00 29.94 C
ATOM 2981 CD1 PHE A 386 28.397 -10.729 34.114 1. 00 26.17 C
ATOM 2982 CE1 PHE A 386 29.237 -10.477 35.170 1. 00 30.74 C
ATOM 2983 CZ PHE A 386 30.222 -11.399 35.509 1. 00 35.26 C
ATOM 2984 CE2 PHE A 386 30.363 -12.569 34.766 1. 00 35.52 C
ATOM 2985 CD2 PHE A 386 29.517 -12.811 33.691 1. 00 36.84 C
ATOM 2986 N PRO A 387 25.010 -13.681 31.032 1. 00 32.88 N
ATOM 2987 CA PRO A 387 24.144 -13.830 29.877 1. 00 33.30 C
ATOM 2988 C PRO A 387 22.721 -13.328 30.148 1. 00 32.57 C
ATOM 2989 0 PRO A 387 22.087 -12.749 29.273 1. 00 32.13 0
ATOM 2990 CB PRO A 387 24.119 -15.351 29.664 1. 00 36.36 C
ATOM 2991 CG PRO A 387 25.343 -15.851 30.321 1. 00 35.49 C
ATOM 2992 CD PRO A 387 25.468 -14.999 31.526 1. 00 33.89 C
ATOM 2993 N GLN A 388 22.229 -13.577 31. 353 1. 00 31. 37 N
ATOM 2994 CA GLN A 388 20.879 -13.170 31.731 1. 00 30.54 C
ATOM 2995 C GLN A 388 20.813 -11.639 31.802 1. 00 24.98 C
ATOM 2996 0 GLN A 388 19.853 -11.041 31.329 1. 00 26.39 0
ATOM 2997 CB GLN A 388 20.492 -13.783 33.083 1. 00 31. 42 C
ATOM 2998 CG GLN A 388 20.349 -15.318 33.108 1. 00 43.56 C
ATOM 2999 CD GLN A 388 21.677 -16.086 33.039 1. 00 52.92 C
ATOM 3000 OE1 GLN A 388 21.719 -17.201 32.519 1. 00 62.89 0
ATOM 3001 NE2 GLN A 388 22.753 -15.499 33.557 1. 00 49.25 N
ATOM 3002 N ALA A 389 21.825 -11.036 32.417 1. 00 22.18 N
ATOM 3003 CA ALA A 389 21.909 -9.590 32.577 1. 00 20.22 C
ATOM 3004 C ALA A 389 21.942 -8.916 31.224 1. 00 24.33 C
ATOM 3005 0 ALA A 389 21.333 -7.878 31.038 1. 00 25.88 0
ATOM 3006 CB ALA A 389 23.128 -9.209 33.376 1. 00 23.23 C
ATOM 3007 N MET A 390 22.658 -9.517 30.270 1. 00 24.04 N
ATOM 3008 CA MET A 390 22.833 -8.932 28.979 1. 00 22.74 C
ATOM 3009 C MET A 390 21.528 -8.901 28.190 1. 00 22.52 C
ATOM 3010 0 MET A 390 21.209 -7.901 27.557 1. 00 26.56 0
ATOM 3011 CB MET A 390 23.934 -9.695 28.230 1. 00 24.55 C
ATOM 3012 CG MET A 390 24.142 -9.320 26.799 1. 00 31.80 C
ATOM 3013 SD MET A 390 24.619 -7.616 26.548 1. 00 41.51 S
ATOM 3014 CE MET A 390 25.954 -7.382 27.641 1. 00 20.76 C
ATOM 3015 N LYS A 391 20.782 -9.992 28.226 1. 00 21.63 N
ATOM 3016 CA LYS A 391 19.465 -10.057 27.605 1. 00 23.25 C
ATOM 3017 C LYS A 391 18.481 -8.988 28.147 1. 00 17.79 C
ATOM 3018 0 LYS A 391 17.782 -8.336 27.381 1. 00 20.97 0
ATOM 3019 CB LYS A 391 18.887 -11.464 27.775 1. 00 22.21 C
ATOM 3020 CG LYS A 391 17.746 -11.790 26.824 1. 00 35.83 C
ATOM 3021 CD LYS A 391 17.672 -13.299 26.557 1. 00 51.84 C
ATOM 3022 CE LYS A 391 17.145 -14.074 27.762 1. 00 58.26 C
ATOM 3023 NZ LYS A 391 15.661 -13.981 27.883 1. 00 66.35 N
ATOM 3024 N ASN A 392 18.441 -8.849 29.461 1. 00 22.75 N

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Figure lA-56

Atom Type Residue # X Y Z Oee B Type

ATOM 3025 CA ASN A 392 17.569 -7.883 30.139 1. 00 19.98 C
ATOM 3026 C ASN A 392 18.008 -6.438 29.927 1. 00 18.93 C
ATOM 3027 0 ASN A 392 17.182 -5.594 29.686 1. 00 20.85 0
ATOM 3028 CB ASN A 392 17.434 -8.234 31.637 1. 00 20.40 C
ATOM 3029 CG ASN A 392 16.397 -9.312 31.872 1. 00 22.38 C
ATOM 3030 OD1 ASN A 392 15.405 -9.350 31.173 1. 00 25.84 0
ATOM 3031 ND2 ASN A 392 16.648 -10.218 32.804 1. 00 27.05 N
ATOM 3032 N LEU A 393 19.308 -6.158 30.025 1. 00 19.86 N
ATOM 3033 CA LEU A 393 19.818 -4.830 29.704 1. 00 19.46 C
ATOM 3034 C LEU A 393 19.514 -4.418 28.255 1. 00 17.88 C
ATOM 3035 0 LEU A 393 19.154 -3.278 28.002 1. 00 16.33 0
ATOM 3036 CB LEU A 393 21.302 -4.672 30.055 1. 00 21.99 C
ATOM 3037 CG LEU A 393 21.680 -4.723 31.531 1. 00 17.79 C
ATOM 3038 CD1 LEU A 393 23.180 -4.758 31.693 1. 00 20.92 C
ATOM 3039 CD2 LEU A 393 21.056 -3.617 32.356 1. 00 21.12 C
ATOM 3040 N ARG A 394 19.622 -5.346 27.315 1. 00 19.65 N
ATOM 3041 CA ARG A 394 19.239 -5.068 25.937 1. 00 20.68 C
ATOM 3042 C ARG A 394 17.734 -4.852 25.796 1. 00 18.01 C
ATOM 3043 0 ARG A 394 17.294 -4.009 25.021 1. 00 19.29 0
ATOM 3044 CB ARG A 394 19.661 -6.224 25.007 1. 00 22.74 C
ATOM 3045 CG ARG A 394 21.137 -6.383 24.832 1. 00 30.55 C
ATOM 3046 CD ARG A 394 21.403 -7.174 23.546 1. 00 50.30 C
ATOM 3047 NE ARG A 394 22.782 -7.657 23.452 1. 00 58.54 N
ATOM 3048 CZ ARG A 394 23.826 -6.908 23.100 1. 00 65.58 C
ATOM 3049 NH1 ARG A 394 23.673 -5.617 22.805 1. 00 64.44 N
ATOM 3050 NH2 ARG A 394 25.036 -7.455 23.049 1. 00 67.15 N
ATOM 3051 N LEU A 395 16.952 -5.650 26.517 1. 00 18.98 N
ATOM 3052 CA LEU A 395 15.501 -5.525 26.484 1. 00 16.08 C
ATOM 3053 C LEU A 395 15.101 -4.155 27.039 1. 00 15.62 C
ATOM 3054 0 LEU A 395 14.241 -3.497 26.499 1. 00 19.45 0
ATOM 3055 CB LEU A 395 14.865 -6.657 27.295 1. 00 19.39 C
ATOM 3056 CG LEU A 395 13.355 -6.660 27.584 1. 00 16.32 C
ATOM 3057 CD1 LEU A 395 12.532 -6.507 26.328 1. 00 16.56 C
ATOM 3058 CD2 LEU A 395 13.008 -7.940 28.266 1. 00 19.47 C
ATOM 3059 N ALA A 396 15.734 -3.761 28.142 1. 00 19.81 N
ATOM 3060 CA ALA A 396 15.550 -2.447 28.734 1. 00 15.79 C
ATOM 3061 C ALA A 396 15.863 -1.352 27.731 1. 00 17.09 C
ATOM 3062 0 ALA A 396 15.097 -0.428 27.576 1. 00 16.52 0
ATOM 3063 CB ALA A 396 16.390 -2.304 29.942 1. 00 12.01 C
ATOM 3064 N PHE A 397 16.971 -1.481 27.002 1. 00 19.99 N
ATOM 3065 CA PHE A 397 17.236 -0.545 25.940 1. 00 15.02 C
ATOM 3066 C PHE A 397 16.181 -0.522 24.833 1. 00 16.41 C
ATOM 3067 0 PHE A 397 15.776 0.560 24.395 1. 00 21.79 0
ATOM 3068 CB PHE A 397 18.665 -0.656 25.355 1. 00 18.57 C
ATOM 3069 CG PHE A 397 18.927 0.369 24.306 1. 00 14.18 C
ATOM 3070 CD1 PHE A 397 19.335 1.651 24.657 1. 00 18.39 C
ATOM 3071 CE1 PHE A 397 19.516 2.623 23.701 1. 00 25.59 C
ATOM 3072 CZ PHE A 397 19.276 2.337 22.378 1. 00 22.75 C
ATOM 3073 CE2 PHE A 397 18.850 1.072 21.999 1. 00 25.38 C
ATOM 3074 CD2 PHE A 397 18.665 0.088 22.966 1. 00 21.71 C
ATOM 3075 N ASP A 398 15.713 -1.681 24.389 1. 00 18.23 N
ATOM 3076 CA ASP A 398 14.667 -1.723 23.367 1. 00 19.78 C
ATOM 3077 C ASP A 398 13.440 -0.921 23.800 1. 00 18.31 C
ATOM 3078 0 ASP A 398 12.805 -0.240 23.008 1. 00 20.83 0
ATOM 3079 CB ASP A 398 14.253 -3.166 23.057 1. 00 19.66 C

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Figure lA-57

Atom Type Residue # X Y Z Oee B Type

ATOM 3080 CG ASP A 398 15.361 -3.970 22.363 1. 00 27.11 C
ATOM 3081 OD1 ASP A 398 16.245 -3.370 21.716 1. 00 34.73 0
ATOM 3082 OD2 ASP A 398 15.339 -5.206 22.488 1. 00 35.16 0
ATOM 3083 N ILE A 399 13.136 -0.981 25.085 1. 00 18.82 N
ATOM 3084 CA ILE A 399 11.996 -0.249 25.604 1. 00 15.79 C
ATOM 3085 C ILE A 399 12.335 1. 229 25.817 1. 00 16.29 C
ATOM 3086 0 ILE A 399 11.626 2.112 25.338 1. 00 17.87 0
ATOM 3087 CB ILE A 399 11.474 -0.909 26.908 1. 00 15.14 C
ATOM 3088 CG1 ILE A 399 10.987 -2.344 26.653 1. 00 14.62 C
ATOM 3089 CD1 ILE A 399 10.865 -3.126 27.939 1. 00 14.86 C
ATOM 3090 CG2 ILE A 399 10.356 -0.054 27.581 1. 00 13.04 C
ATOM 3091 N MET A 400 13.408 1.496 26.535 1. 00 17.33 N
ATOM 3092 CA MET A 400 13 .723 2.868 26.938 1. 00 16.68 C
ATOM 3093 C MET A 400 14.186 3.784 25.806 1. 00 17.58 C
ATOM 3094 0 MET A 400 14.13 0 5.005 25.927 1. 00 17.94 0
ATOM 3095 CB MET A 400 14.692 2.896 28.107 1. 00 18.60 C
ATOM 3096 CG MET A 400 14.132 2.231 29.330 1. 00 17.01 C
ATOM 3097 SD MET A 400 15.291 1.957 30.686 1. 00 24.41 S
ATOM 3098 CE MET A 400 15.941 3.587 30.981 1. 00 26.90 C
ATOM 3099 N ARG A 401 14.613 3.203 24.702 1. 00 19.52 N
ATOM 3100 CA ARG A 401 14.920 4.018 23.538 1. 00 20.73 C
ATOM 3101 C ARG A 401 13.656 4.734 23.067 1. 00 19.74 C
ATOM 3102 0 ARG A 401 13.725 5.872 22.580 1. 00 21.08 0
ATOM 3103 CB ARG A 401 15.511 3.144 22.435 1. 00 20.01 C
ATOM 3104 CG ARG A 401 16.017 3.936 21.259 1. 00 26.43 C
ATOM 3105 CD ARG A 401 16.322 3.036 20.048 1. 00 43.42 C
ATOM 3106 NE ARG A 401 15.143 2.304 19.574 1. 00 47.39 N
ATOM 3107 CZ ARG A 401 14.173 2.821 18.819 1. 00 54.16 C
ATOM 3108 NH1 ARG A 401 14.214 4.095 18.438 1. 00 57.02 N
ATOM 3109 NH2 ARG A 401 13 .149 2.062 18.450 1. 00 53.30 N
ATOM 3110 N VAL A 402 12.506 4.077 23.257 1. 00 16.89 N
ATOM 3111 CA VAL A 402 11.206 4.613 22.913 1. 00 15.59 C
ATOM 3112 C VAL A 402 10.645 5.532 24.037 1. 00 15.37 C
ATOM 3113 0 VAL A 402 10.200 6.635 23.774 1. 00 20.30 0
ATOM 3114 CB VAL A 402 10.195 3.492 22.575 1. 00 16.13 C
ATOM 3115 CG1 VAL A 402 8.764 4.049 22.445 1. 00 12.07 C
ATOM 3116 CG2 VAL A 402 10.590 2.758 21.298 1. 00 18.16 C
ATOM 3117 N THR A 403 10.728 5.065 25.272 1. 00 19.40 N
ATOM 3118 CA THR A 403 10.044 5.682 26.425 1. 00 15.81 C
ATOM 3119 C THR A 403 10.859 6.815 27.036 1. 00 15.51 C
ATOM 3120 0 THR A 403 10.302 7.779 27.550 1. 00 18.94 0
ATOM 3121 CB THR A 403 9.740 4.621 27.518 1. 00 13.69 C
ATOM 3122 OG1 THR A 403 10.944 3.993 27.976 1. 00 17.73 0
ATOM 3123 CG2 THR A 403 8.816 3.577 27.003 1. 00 16.14 C
ATOM 3124 N HIS A 404 12.188 6.725 26.929 1. 00 14.91 N
ATOM 3125 CA HIS A 404 13 . 062 7.700 27.520 1. 00 18.35 C
ATOM 3126 C HIS A 404 13.787 8.549 26.468 1. 00 15.65 C
ATOM 3127 0 HIS A 404 13.816 9.777 26.575 1. 00 15.21 0
ATOM 3128 CB HIS A 404 14.059 7.034 28.474 1. 00 19.49 C
ATOM 3129 CG HIS A 404 13.456 6.573 29.779 1. 00 13 .44 C
ATOM 3130 ND1 HIS A 404 12.505 5.585 29.847 1. 00 16.43 N
ATOM 3131 CE1 HIS A 404 12.188 5.364 31.110 1. 00 15.47 C
ATOM 3132 NE2 HIS A 404 12.946 6.134 31.866 1. 00 19.01 N
ATOM 3133 CD2 HIS A 404 13.754 6.898 31.057 1. 00 14.30 C
ATOM 3134 N GLY A 405 14.360 7.871 25.472 1. 00 17.47 N

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Figure lA-58

Atom Type Residue # X Y Z Oee B Type

ATOM 3135 CA GLY A 405 15.094 8.501 24.394 1. 00 16.99 C
ATOM 3136 C GLY A 405 16.467 8.981 24.801 1. 00 18.22 C
ATOM 3137 0 GLY A 405 16.827 9.008 25.949 1. 00 18.84 0
ATOM 3138 N ARG A 406 17.261 9.359 23.818 1. 00 20.50 N
ATOM 3139 CA ARG A 406 18.631 9.706 24.075 1. 00 21.00 C
ATOM 3140 C ARG A 406 18.813 11.047 24.790 1. 00 20.07 C
ATOM 3141 0 ARG A 406 19.886 11.322 25.265 1. 00 21. 39 0
ATOM 3142 CB ARG A 406 19.443 9.608 22.783 1. 00 23.16 C
ATOM 3143 CG ARG A 406 19.653 8.160 22.365 1. 00 24.05 C
ATOM 3144 CD ARG A 406 20.338 8.040 20.999 1. 00 26.79 C
ATOM 3145 NE ARG A 406 20.329 6.670 20.460 1. 00 26.28 N
ATOM 3146 CZ ARG A 406 21.091 5.671 20.905 1. 00 22.48 C
ATOM 3147 NH1 ARG A 406 21.910 5.848 21.924 1. 00 20.88 N
ATOM 3148 NH2 ARG A 406 21.019 4.482 20.339 1. 00 25.24 N
ATOM 3149 N GLU A 407 17.750 11.849 24.885 1. 00 19.56 N
ATOM 3150 CA GLU A 407 17.741 13 . 073 25.692 1. 00 19.59 C
ATOM 3151 C GLU A 407 17.668 12.814 27.205 1. 00 18.67 C
ATOM 3152 0 GLU A 407 17.967 13.687 27.999 1. 00 23.08 0
ATOM 3153 CB GLU A 407 16.592 14.000 25.259 1. 00 21.87 C
ATOM 3154 CG GLU A 407 16.661 14.481 23.822 1. 00 22.65 C
ATOM 3155 CD GLU A 407 16.048 13 .512 22.803 1. 00 24.02 C
ATOM 3156 OE1 GLU A 407 15.510 12.456 23.172 1. 00 22.16 0
ATOM 3157 OE2 GLU A 407 16.121 13.783 21.594 1. 00 25.64 0
ATOM 3158 N HIS A 408 17.267 11.608 27.596 1. 00 16.66 N
ATOM 3159 CA HIS A 408 17.194 11.241 29.005 1. 00 19.10 C
ATOM 3160 C HIS A 408 18.515 10.615 29.472 1. 00 21.08 C
ATOM 3161 0 HIS A 408 19.082 9.743 28.809 1. 00 21.81 0
ATOM 3162 CB HIS A 408 15.981 10.318 29.253 1. 00 17.89 C
ATOM 3163 CG HIS A 408 15.574 10.228 30.689 1. 00 18.79 C
ATOM 3164 ND1 HIS A 408 16.399 9.715 31.661 1. 00 18.78 N
ATOM 3165 CE1 HIS A 408 15.782 9.766 32.830 1. 00 18.63 C
ATOM 3166 NE2 HIS A 408 14.569 10.252 32.634 1. 00 17.79 N
ATOM 3167 CD2 HIS A 408 14.412 10.532 31.304 1. 00 18.71 C
ATOM 3168 N SER A 409 18.992 11.053 30.636 1. 00 23.61 N
ATOM 3169 CA SER A 409 20.311 10.675 31.125 1. 00 22.99 C
ATOM 3170 C SER A 409 20.442 9.200 31.527 1. 00 23.94 C
ATOM 3171 0 SER A 409 21.546 8.687 31.680 1. 00 22.01 0
ATOM 3172 CB SER A 409 20.711 11.598 32.278 1. 00 24.56 C
ATOM 3173 OG SER A 409 19.855 11.436 33.387 1. 00 25.04 0
ATOM 3174 N LEU A 410 19.309 8.528 31.698 1. 00 21.57 N
ATOM 3175 CA LEU A 410 19.301 7.157 32.112 1. 00 22.30 C
ATOM 3176 C LEU A 410 19.776 6.221 30.981 1. 00 21.11 C
ATOM 3177 0 LEU A 410 20.290 5.162 31.255 1. 00 24.26 0
ATOM 3178 CB LEU A 410 17.916 6.773 32.655 1. 00 21.83 C
ATOM 3179 CG LEU A 410 17.779 5.528 33.526 1. 00 22.94 C
ATOM 3180 CD1 LEU A 410 18.791 5.439 34.671 1. 00 21. 47 C
ATOM 3181 CD2 LEU A 410 16.300 5.386 34.011 1. 00 19.79 C
ATOM 3182 N ILE A 411 19.622 6.646 29.731 1. 00 19.89 N
ATOM 3183 CA ILE A 411 20.103 5.906 28.587 1. 00 23.53 C
ATOM 3184 C ILE A 411 21.643 5.779 28.576 1. 00 21.81 C
ATOM 3185 0 ILE A 411 22.147 4.697 28.380 1. 00 23.19 0
ATOM 3186 CB ILE A 411 19.531 6.482 27.237 1. 00 21.69 C
ATOM 3187 CG1 ILE A 411 18.014 6.226 27.163 1. 00 23.69 C
ATOM 3188 CD1 ILE A 411 17.594 4.836 26.710 1. 00 30.25 C
ATOM 3189 CG2 ILE A 411 20.318 5.950 26.025 1. 00 25.51 C

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Figure lA-59

Atom Type Residue # X Y Z Oee B Type

ATOM 3190 N GLU A 412 22.366 6.867 28.834 1. 00 24.60 N
ATOM 3191 CA GLU A 412 23.821 6.800 29.047 1. 00 21.75 C
ATOM 3192 C GLU A 412 24.190 5.816 30.179 1. 00 22.17 C
ATOM 3193 0 GLU A 412 25.058 4.979 30.012 1. 00 22.47 0
ATOM 3194 CB GLU A 412 24.362 8.197 29.337 1. 00 26.96 C
ATOM 3195 N ASP A 413 23.515 5.915 31.329 1. 00 21.92 N
ATOM 3196 CA ASP A 413 23.695 4.938 32.419 1. 00 24.00 C
ATOM 3197 C ASP A 413 23.534 3.494 31.955 1. 00 19.86 C
ATOM 3198 0 ASP A 413 24.342 2.639 32.302 1. 00 20.48 0
ATOM 3199 CB ASP A 413 22.735 5.213 33.578 1. 00 22.26 C
ATOM 3200 CG ASP A 413 23.030 6.512 34.274 1. 00 33.03 C
ATOM 3201 OD1 ASP A 413 24.127 7.067 34.052 1. 00 39.82 0
ATOM 3202 OD2 ASP A 413 22.161 6.994 35.035 1. 00 33.27 0
ATOM 3203 N LEU A 414 22.491 3.243 31.172 1. 00 19.86 N
ATOM 3204 CA LEU A 414 22.167 1.923 30.659 1. 00 18.62 C
ATOM 3205 C LEU A 414 23.267 1. 404 29.715 1. 00 18.13 C
ATOM 3206 0 LEU A 414 23.681 0.254 29.779 1. 00 20.21 0
ATOM 3207 CB LEU A 414 20.811 1.964 29.941 1. 00 18.52 C
ATOM 3208 CG LEU A 414 20.205 0.650 29.402 1. 00 22.49 C
ATOM 3209 CD1 LEU A 414 20.257 -0.545 30.390 1. 00 17.65 C
ATOM 3210 CD2 LEU A 414 18.779 0.878 28.888 1. 00 23.14 C
ATOM 3211 N ILE A 415 23.709 2.276 28.830 1. 00 22.41 N
ATOM 3212 CA ILE A 415 24.787 1.943 27.908 1. 00 20.76 C
ATOM 3213 C ILE A 415 26.032 1.536 28.707 1. 00 18.38 C
ATOM 3214 0 ILE A 415 26.690 0.584 28.356 1. 00 19.43 0
ATOM 3215 CB ILE A 415 25.046 3.110 26.908 1. 00 19.21 C
ATOM 3216 CG1 ILE A 415 23.886 3.220 25.922 1. 00 21. 27 C
ATOM 3217 CD1 ILE A 415 23.952 4.524 25.044 1. 00 22.40 C
ATOM 3218 CG2 ILE A 415 26.346 2.915 26.129 1. 00 25.29 C
ATOM 3219 N LEU A 416 26.330 2.243 29.788 1. 00 22.88 N
ATOM 3220 CA LEU A 416 27.477 1.894 30.622 1. 00 22.47 C
ATOM 3221 C LEU A 416 27.363 0.509 31.223 1. 00 21.70 C
ATOM 3222 0 LEU A 416 28.332 -0.215 31.258 1. 00 20.48 0
ATOM 3223 CB LEU A 416 27.694 2.905 31.728 1. 00 22.05 C
ATOM 3224 CG LEU A 416 28.228 4.250 31.332 1. 00 22.12 C
ATOM 3225 CD1 LEU A 416 28.327 5.095 32.576 1. 00 30.05 C
ATOM 3226 CD2 LEU A 416 29.590 4.135 30.622 1. 00 24.40 C
ATOM 3227 N LEU A 417 26.166 0.130 31.665 1. 00 23.43 N
ATOM 3228 CA LEU A 417 25.941 -1.230 32.159 1. 00 22.12 C
ATOM 3229 C LEU A 417 26.107 -2.297 31.086 1. 00 21.09 C
ATOM 3230 0 LEU A 417 26.647 -3.376 31.358 1. 00 22.48 0
ATOM 3231 CB LEU A 417 24.555 -1.354 32.825 1. 00 22.71 C
ATOM 3232 CG LEU A 417 24.285 -0.472 34.044 1. 00 24.34 C
ATOM 3233 CD1 LEU A 417 22.815 -0.586 34.440 1. 00 23.97 C
ATOM 3234 CD2 LEU A 417 25.191 -0.857 35.208 1. 00 28.86 C
ATOM 3235 N LEU A 418 25.630 -2.018 29.878 1. 00 21.69 N
ATOM 3236 CA LEU A 418 25.728 -2.961 28.788 1. 00 18.80 C
ATOM 3237 C LEU A 418 27.200 -3.164 28.403 1. 00 21. 21 C
ATOM 3238 0 LEU A 418 27.598 -4.258 28.059 1. 00 24.74 0
ATOM 3239 CB LEU A 418 24.950 -2.492 27.570 1. 00 18.81 C
ATOM 3240 CG LEU A 418 23.440 -2.676 27.525 1. 00 19.62 C
ATOM 3241 CD1 LEU A 418 22.784 -1.566 26.685 1. 00 25.65 C
ATOM 3242 CD2 LEU A 418 23.060 -4.066 27.051 1. 00 20.98 C
ATOM 3243 N GLU A 419 27.983 -2.100 28.480 1. 00 24.40 N
ATOM 3244 CA GLU A 419 29.420 -2.173 28.145 1. 00 25.16 C

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Figure IA-60

Atom Type Residue # X Y Z Oee B Type

ATOM 3245 C GLU A 419 30.162 -2.952 29.213 1. 00 23.93 C
ATOM 3246 0 GLU A 419 30.953 -3.835 28.905 1. 00 26.49 0
ATOM 3247 CB GLU A 419 30.012 -0.772 27.935 1. 00 24.33 C
ATOM 3248 CG GLU A 419 29.459 - 0.116 26.674 1. 00 26.14 C
ATOM 3249 CD GLU A 419 29.849 1. 333 26.486 1. 00 22.89 C
ATOM 3250 OE1 GLU A 419 30.068 2.062 27.472 1. 00 26.86 0
ATOM 3251 OE2 GLU A 419 29.914 1.764 25.317 1. 00 29.25 0
ATOM 3252 N GLU A 420 29.856 -2.660 30.468 1. 00 27.93 N
ATOM 3253 CA GLU A 420 30.425 -3.397 31.592 1. 00 31.74 C
ATOM 3254 C GLU A 420 30.064 -4.881 31.506 1. 00 29.01 C
ATOM 3255 0 GLU A 420 30.936 -5.740 31.661 1. 00 28.93 0
ATOM 3256 CB GLU A 420 30.002 -2.768 32.923 1. 00 26.53 C
ATOM 3257 CG GLU A 420 30.350 -3.596 34.157 1. 00 35.17 C
ATOM 3258 CD GLU A 420 29.941 -2.930 35.472 1. 00 39.48 C
ATOM 3259 OE1 GLU A 420 29.201 -1. 917 35.451 1. 00 47.22 0
ATOM 3260 OE2 GLU A 420 30.361 -3.436 36.543 1. 00 52.28 0
ATOM 3261 N CYS A 421 28.799 -5.184 31.216 1. 00 29.80 N
ATOM 3262 CA CYS A 421 28.343 -6.576 31.059 1. 00 29.07 C
ATOM 3263 C CYS A 421 29.027 -7.305 29.899 1. 00 30.01 C
ATOM 3264 0 CYS A 421 29.406 -8.494 30.014 1. 00 28.24 0
ATOM 3265 CB CYS A 421 26.816 -6.644 30.894 1. 00 30.42 C
ATOM 3266 SG CYS A 421 26.115 -8.340 30.936 1. 00 28.71 S
ATOM 3267 N ASP A 422 29.185 -6.588 28.792 1. 00 30.16 N
ATOM 3268 CA ASP A 422 29.827 -7.120 27.608 1. 00 34.90 C
ATOM 3269 C ASP A 422 31.279 -7.464 27.912 1. 00 36.19 C
ATOM 3270 0 ASP A 422 31.757 -8.533 27.528 1. 00 39.37 0
ATOM 3271 CB ASP A 422 29.770 -6.106 26.468 1. 00 36.69 C
ATOM 3272 CG ASP A 422 30.275 -6.673 25.165 1. 00 44.27 C
ATOM 3273 OD1 ASP A 422 29.505 -7.393 24.496 1. 00 53.45 0
ATOM 3274 OD2 ASP A 422 31.442 -6.398 24.819 1. 00 49.45 0
ATOM 3275 N ALA A 423 31.966 -6.561 28.603 1. 00 39.81 N
ATOM 3276 CA ALA A 423 33.365 -6.773 29.000 1. 00 43.36 C
ATOM 3277 C ALA A 423 33.509 -8.013 29.888 1. 00 46.72 C
ATOM 3278 0 ALA A 423 34.407 -8.835 29.679 1. 00 46.60 0
ATOM 3279 CB ALA A 423 33.921 -5.536 29.698 1. 00 41.63 C
ATOM 3280 N ASN A 424 32.607 -8.144 30.862 1. 00 48.54 N
ATOM 3281 CA ASN A 424 32.538 -9.317 31.733 1. 00 50.15 C
ATOM 3282 C ASN A 424 32.275 -10.621 30.982 1. 00 51.01 C
ATOM 3283 0 ASN A 424 32.810 -11.668 31. 354 1. 00 52.35 0
ATOM 3284 CB ASN A 424 31.481 - 9.111 32.823 1. 00 51. 47 C
ATOM 3285 CG ASN A 424 31.964 -8.208 33.945 1. 00 54.22 C
ATOM 3286 OD1 ASN A 424 32.999 -8.465 34.554 1. 00 62.23 0
ATOM 3287 ND2 ASN A 424 31.207 -7.155 34.235 1. 00 57.84 N
ATOM 3288 N ILE A 425 31.457 -10.559 29.931 1. 00 51.74 N
ATOM 3289 CA ILE A 425 31.194 -11.730 29.090 1. 00 52.99 C
ATOM 3290 C ILE A 425 32.462 -12.141 28.334 1. 00 55.59 C
ATOM 3291 0 ILE A 425 32.856 -13.312 28.371 1. 00 56.14 0
ATOM 3292 CB ILE A 425 29.998 -11.505 28.115 1. 00 53.54 C
ATOM 3293 CG1 ILE A 425 28.673 -11.507 28.891 1. 00 51.65 C
ATOM 3294 CD1 ILE A 425 27.476 -11.003 28.100 1. 00 51.64 C
ATOM 3295 CG2 ILE A 425 29.969 -12.574 27.015 1. 00 50.29 C
ATOM 3296 N ARG A 426 33.099 -11.171 27.672 1. 00 56.58 N
ATOM 3297 CA ARG A 426 34.340 -11.402 26.930 1. 00 58.07 C
ATOM 3298 C ARG A 426 35.473 -11.915 27.831 1. 00 59.28 C
ATOM 3299 0 ARG A 426 36.264 -12.762 27.415 1. 00 59.25 0

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Figure lA-61

Atom Type Residue # X Y Z Oee B Type

ATOM 3300 CB ARG A 426 34.771 -10.127 26.194 1. 00 57.73 C
ATOM 3301 N ALA A 427 35.531 -11.406 29.063 1. 00 60.50 N
ATOM 3302 CA ALA A 427 36.546 -11.801 30.044 1. 00 61.98 C
ATOM 3303 C ALA A 427 36.318 -13.198 30.626 1. 00 63.78 C
ATOM 3304 0 ALA A 427 37.270 -13.844 31.075 1. 00 64.61 0
ATOM 3305 CB ALA A 427 36.640 -10.766 31.165 1. 00 61.59 C
ATOM 3306 N SER A 428 35.067 -13.660 30.620 1. 00 64.62 N
ATOM 3307 CA SER A 428 34.715 -14.972 31.172 1. 00 65.42 C
ATOM 3308 C SER A 428 35.200 -16.116 30.277 1. 00 65.91 C
ATOM 3309 0 SER A 428 35.075 -16.062 29.050 1. 00 66.64 0
ATOM 3310 CB SER A 428 33.202 -15.078 31.407 1. 00 65.29 C
TER 3311 SER A 428
ATOM 3312 N LEU B 4 5.660 58.746 100.617 1. 00 52.70 N
ATOM 3313 CA LEU B 4 6.752 57.840 100.152 1. 00 52.83 C
ATOM 3314 C LEU B 4 6.975 56.691 101.133 1. 00 52.51 C
ATOM 3315 0 LEU B 4 6.941 56.885 102.352 1. 00 52.97 0
ATOM 3316 CB LEU B 4 8.057 58.619 99.942 1. 00 53.82 C
ATOM 3317 N LYS B 5 7.207 55.498 100.588 1. 00 50.92 N
ATOM 3318 CA LYS B 5 7.421 54.289 101.392 1. 00 48.83 C
ATOM 3319 C LYS B 5 8.904 54.029 101.669 1. 00 46.87 C
ATOM 3320 0 LYS B 5 9.256 53.055 102.348 1. 00 46.30 0
ATOM 3321 CB LYS B 5 6.792 53.077 100.697 1. 00 49.22 C
ATOM 3322 CG LYS B 5 5.302 53.233 100.393 1. 00 49.96 C
ATOM 3323 CD LYS B 5 4.803 52.124 99.490 1. 00 51.61 C
ATOM 3324 CE LYS B 5 3.305 52.261 99.256 1. 00 56.87 C
ATOM 3325 NZ LYS B 5 2.785 51.181 98.365 1. 00 59.16 N
ATOM 3326 N VAL B 6 9.766 54.898 101.133 1. 00 44.48 N
ATOM 3327 CA VAL B 6 11.224 54.732 101.230 1. 00 42.22 C
ATOM 3328 C VAL B 6 11.892 56.040 101.650 1. 00 40.71 C
ATOM 3329 0 VAL B 6 11.328 57.121 101.435 1. 00 41.51 0
ATOM 3330 CB VAL B 6 11.869 54.204 99.888 1. 00 42.15 C
ATOM 3331 CG1 VAL B 6 11.187 52.927 99.405 1. 00 40.35 C
ATOM 3332 CG2 VAL B 6 11.835 55.264 98.791 1. 00 43.07 C
ATOM 3333 N GLU B 7 13.087 55.942 102.237 1. 00 37.82 N
ATOM 3334 CA GLU B 7 13 .834 57.128 102.665 1. 00 37.42 C
ATOM 3335 C GLU B 7 15.352 56.919 102.625 1. 00 33.91 C
ATOM 3336 0 GLU B 7 15.847 55.822 102.839 1. 00 28.74 0
ATOM 3337 CB GLU B 7 13.399 57.548 104.083 1. 00 37.24 C
ATOM 3338 CG GLU B 7 13 .634 56.452 105.147 1. 00 41.70 C
ATOM 3339 CD GLU B 7 13.338 56.909 106.577 1. 00 42.90 C
ATOM 3340 OE1 GLU B 7 12.573 57.885 106.746 1. 00 44.48 0
ATOM 3341 OE2 GLU B 7 13.874 56.283 107.522 1. 00 44.07 0
ATOM 3342 N LYS B 8 16.083 57.991 102.333 1. 00 35.56 N
ATOM 3343 CA LYS B 8 17.536 57.983 102.437 1. 00 36.83 C
ATOM 3344 C LYS B 8 17.937 57.826 103.904 1. 00 37.63 C
ATOM 3345 0 LYS B 8 17.185 58.221 104.805 1. 00 39.37 0
ATOM 3346 CB LYS B 8 18.106 59.297 101.893 1. 00 37.23 C
ATOM 3347 CG LYS B 8 19.624 59.338 101.794 1. 00 36.03 C
ATOM 3348 CD LYS B 8 20.119 60.663 101.208 1. 00 41.97 C
ATOM 3349 CE LYS B 8 20.517 61.648 102.303 1. 00 52.26 C
ATOM 3350 NZ LYS B 8 21.765 62.372 101.928 1. 00 56.73 N
ATOM 3351 N PHE B 9 19.112 57.250 104.138 1. 00 34.19 N
ATOM 3352 CA PHE B 9 19.711 57.251 105.457 1. 00 36.83 C
ATOM 3353 C PHE B 9 21.186 57.013 105.285 1. 00 36.99 C
ATOM 3354 0 PHE B 9 21.625 56.597 104.226 1. 00 34.14 0

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Figure IA-62

Atom Type Residue # X Y Z Oee B Type

ATOM 3355 CB PHE B 9 19.067 56.202 106.398 1. 00 35.87 C
ATOM 3356 CG PHE B 9 19.519 54.770 106.153 1. 00 38.82 C
ATOM 3357 CD1 PHE B 9 20.391 54.135 107.041 1. 00 43.19 C
ATOM 3358 CE1 PHE B 9 20.807 52.818 106.818 1. 00 43.85 C
ATOM 3359 CZ PHE B 9 20.344 52.124 105.700 1. 00 38.09 C
ATOM 3360 CE2 PHE B 9 19.466 52.741 104.826 1. 00 32.91 C
ATOM 3361 CD2 PHE B 9 19.063 54.057 105.051 1. 00 31. 48 C
ATOM 3362 N ALA B 10 21.950 57.307 106.333 1. 00 39.87 N
ATOM 3363 CA ALA B 10 23.376 57.058 106.337 1. 00 40.14 C
ATOM 3364 C ALA B 10 23.576 55.697 106.971 1. 00 40.83 C
ATOM 3365 0 ALA B 10 23.138 55.457 108.104 1. 00 43.27 0
ATOM 3366 CB ALA B 10 24.110 58.142 107.125 1. 00 40.44 C
ATOM 3367 N THR B 11 24.215 54.800 106.234 1. 00 37.91 N
ATOM 3368 CA THR B 11 24.499 53.458 106.728 1. 00 37.47 C
ATOM 3369 C THR B 11 25.752 53.524 107.590 1. 00 41.56 C
ATOM 3370 0 THR B 11 26.476 54.528 107.574 1. 00 41.91 0
ATOM 3371 CB THR B 11 24.766 52.459 105.575 1. 00 33.86 C
ATOM 3372 OG1 THR B 11 26.080 52.680 105.053 1. 00 27.41 0
ATOM 3373 CG2 THR B 11 23.703 52.583 104.465 1. 00 30.84 C
ATOM 3374 N ALA B 12 26.014 52.429 108.300 1. 00 45.48 N
ATOM 3375 CA ALA B 12 27.186 52.282 109.157 1. 00 47.92 C
ATOM 3376 C ALA B 12 28.520 52.264 108.398 1. 00 49.48 C
ATOM 3377 0 ALA B 12 29.451 52.976 108.782 1. 00 51.07 0
ATOM 3378 CB ALA B 12 27.044 51.030 110.015 1. 00 47.91 C
ATOM 3379 N ASN B 13 28.617 51.468 107.330 1. 00 48.31 N
ATOM 3380 CA ASN B 13 29.911 51.259 106.651 1. 00 46.75 C
ATOM 3381 C ASN B 13 29.915 51.304 105.105 1. 00 44.65 C
ATOM 3382 0 ASN B 13 30.928 50.989 104.477 1. 00 45.99 0
ATOM 3383 CB ASN B 13 30.550 49.950 107.139 1. 00 47.20 C
ATOM 3384 N ARG B 14 28.801 51.699 104.494 1. 00 40.67 N
ATOM 3385 CA ARG B 14 28.696 51.674 103.039 1. 00 36.00 C
ATOM 3386 C ARG B 14 28.006 52.916 102.458 1. 00 34.59 C
ATOM 3387 0 ARG B 14 27.218 52.827 101.491 1. 00 32.13 0
ATOM 3388 CB ARG B 14 28.048 50.356 102.568 1. 00 34.45 C
ATOM 3389 CG ARG B 14 26.601 50.113 102.981 1. 00 34.50 C
ATOM 3390 CD ARG B 14 26.244 48.639 102.924 1. 00 33.67 C
ATOM 3391 NE ARG B 14 27.105 47.902 103.849 1. 00 48.79 N
ATOM 3392 CZ ARG B 14 27.536 46.653 103.682 1. 00 54.58 C
ATOM 3393 NH1 ARG B 14 27.191 45.952 102.610 1. 00 52.40 N
ATOM 3394 NH2 ARG B 14 28.324 46.102 104.602 1. 00 56.67 N
ATOM 3395 N GLY B 15 28.309 54.073 103.057 1. 00 31. 29 N
ATOM 3396 CA GLY B 15 27.772 55.373 102.600 1. 00 29.12 C
ATOM 3397 C GLY B 15 26.300 55.563 102.920 1. 00 28.64 C
ATOM 3398 0 GLY B 15 25.844 55.181 103.996 1. 00 29.55 0
ATOM 3399 N ASN B 16 25.569 56.159 101.980 1. 00 24.26 N
ATOM 3400 CA ASN B 16 24.137 56.336 102.062 1. 00 25.19 C
ATOM 3401 C ASN B 16 23.405 55.118 101.510 1. 00 23.90 C
ATOM 3402 0 ASN B 16 23.963 54.380 100.720 1. 00 26.80 0
ATOM 3403 CB ASN B 16 23.702 57.602 101.304 1. 00 27.09 C
ATOM 3404 CG ASN B 16 24.239 58.861 101.932 1. 00 29.01 C
ATOM 3405 OD1 ASN B 16 24.037 59.106 103.121 1. 00 34.65 0
ATOM 3406 ND2 ASN B 16 24.951 59.652 101.151 1. 00 28.85 N
ATOM 3407 N GLY B 17 22.155 54.934 101.922 1. 00 24.68 N
ATOM 3408 CA GLY B 17 21.345 53.815 101.469 1. 00 22.08 C
ATOM 3409 C GLY B 17 19.899 54.218 101.452 1. 00 24.13 C

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Figure IA-63

Atom Type Residue # X Y Z Oee B Type

ATOM 3410 0 GLY B 17 19.551 55.356 101.772 1. 00 26.74 0
ATOM 3411 N LEU B 18 19.049 53.264 101.106 1. 00 23.93 N
ATOM 3412 CA LEU B 18 17.608 53.435 101.146 1. 00 25.83 C
ATOM 3413 C LEU B 18 17 . 009 52.404 102.131 1. 00 25.93 C
ATOM 3414 0 LEU B 18 17.465 51.274 102.184 1. 00 23.90 0
ATOM 3415 CB LEU B 18 17.041 53.200 99.747 1. 00 25.17 C
ATOM 3416 CG LEU B 18 15.768 53.924 99.357 1. 00 30.37 C
ATOM 3417 CD1 LEU B 18 15.981 55.433 99.353 1. 00 30.75 C
ATOM 3418 CD2 LEU B 18 15.300 53.444 98.000 1. 00 28.63 C
ATOM 3419 N ARG B 19 15.992 52.802 102.895 1. 00 27.21 N
ATOM 3420 CA ARG B 19 15.313 51.889 103.825 1. 00 22.83 C
ATOM 3421 C ARG B 19 13.786 52.035 103.794 1. 00 24.94 C
ATOM 3422 0 ARG B 19 13.250 53.077 103.349 1. 00 24.27 0
ATOM 3423 CB ARG B 19 15.871 52.038 105.240 1. 00 21.84 C
ATOM 3424 CG ARG B 19 15.686 53.401 105.880 1. 00 24.67 C
ATOM 3425 CD ARG B 19 16.235 53.415 107.292 1. 00 32.29 C
ATOM 3426 NE ARG B 19 16.098 54.737 107.902 1. 00 44.35 N
ATOM 3427 CZ ARG B 19 16.845 55.189 108.906 1. 00 50.56 C
ATOM 3428 NH1 ARG B 19 17.807 54.433 109.425 1. 00 51.98 N
ATOM 3429 NH2 ARG B 19 16.642 56.412 109.383 1. 00 51. 20 N
ATOM 3430 N ALA B 20 13.086 51.008 104.288 1. 00 23.39 N
ATOM 3431 CA ALA B 20 11.644 51.052 104.341 1. 00 27.65 C
ATOM 3432 C ALA B 20 11.159 52.006 105.439 1. 00 31.78 C
ATOM 3433 0 ALA B 20 11.719 52.037 106.538 1. 00 34.94 0
ATOM 3434 CB ALA B 20 11.056 49.661 104.515 1. 00 26.34 C
ATOM 3435 N VAL B 21 10.150 52.797 105.093 1. 00 35.72 N
ATOM 3436 CA VAL B 21 9.471 53.733 106.001 1. 00 42.15 C
ATOM 3437 C VAL B 21 8.290 52.997 106.651 1. 00 44.16 C
ATOM 3438 0 VAL B 21 8.012 53.175 107.839 1. 00 45.26 0
ATOM 3439 CB VAL B 21 8.962 55.003 105.233 1. 00 42.64 C
ATOM 3440 CG1 VAL B 21 8.140 55.929 106.135 1. 00 44.36 C
ATOM 3441 CG2 VAL B 21 10.127 55.777 104.644 1. 00 47.22 C
ATOM 3442 N THR B 22 7.611 52.174 105.850 1. 00 45.29 N
ATOM 3443 CA THR B 22 6.484 51. 354 106.290 1. 00 45.87 C
ATOM 3444 C THR B 22 6.785 49.881 105.958 1. 00 46.53 C
ATOM 3445 0 THR B 22 7.736 49.605 105.211 1. 00 47.02 0
ATOM 3446 CB THR B 22 5.173 51.803 105.600 1. 00 46.63 C
ATOM 3447 N PRO B 23 6.005 48.927 106.528 1. 00 45.43 N
ATOM 3448 CA PRO B 23 6.162 47.528 106.104 1. 00 43.50 C
ATOM 3449 C PRO B 23 5.844 47.349 104.620 1. 00 40.91 C
ATOM 3450 0 PRO B 23 4.853 47.899 104.119 1. 00 41.64 0
ATOM 3451 CB PRO B 23 5.136 46.773 106.965 1. 00 43.35 C
ATOM 3452 CG PRO B 23 4.914 47.664 108.164 1. 00 45.90 C
ATOM 3453 CD PRO B 23 4.984 49.061 107.589 1. 00 46.03 C
ATOM 3454 N LEU B 24 6.685 46.586 103.929 1. 00 36.13 N
ATOM 3455 CA LEU B 24 6.517 46.363 102.493 1. 00 32.85 C
ATOM 3456 C LEU B 24 6.252 44.886 102.208 1. 00 29.79 C
ATOM 3457 0 LEU B 24 6.846 44.010 102.843 1. 00 26.19 0
ATOM 3458 CB LEU B 24 7.773 46.828 101.749 1. 00 29.82 C
ATOM 3459 CG LEU B 24 8.394 48.190 102.056 1. 00 33.83 C
ATOM 3460 CD1 LEU B 24 9.741 48.324 101.349 1. 00 28.17 C
ATOM 3461 CD2 LEU B 24 7.463 49.346 101.690 1. 00 37.44 C
ATOM 3462 N ARG B 25 5.375 44.618 101.242 1. 00 30.58 N
ATOM 3463 CA ARG B 25 5.027 43.253 100.832 1. 00 30.52 C
ATOM 3464 C ARG B 25 5.604 42.908 99.441 1. 00 32.29 C

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Figure IA-64

Atom Type Residue # X Y Z Oee B Type

ATOM 3465 0 ARG B 25 5.846 43.807 98.644 1. 00 29.36 0
ATOM 3466 CB ARG B 25 3.502 43.100 100.800 1. 00 34.35 C
ATOM 3467 N PRO B 26 5.792 41.604 99.137 1. 00 33.79 N
ATOM 3468 CA PRO B 26 6.326 41.220 97.827 1. 00 32.82 C
ATOM 3469 C PRO B 26 5.466 41.733 96.691 1. 00 31.73 C
ATOM 3470 0 PRO B 26 4.256 41.556 96.703 1. 00 32.48 0
ATOM 3471 CB PRO B 26 6.286 39.688 97.856 1. 00 32.36 C
ATOM 3472 CG PRO B 26 6.185 39.322 99.260 1. 00 38.77 C
ATOM 3473 CD PRO B 26 5.506 40.432 99.977 1. 00 34.19 C
ATOM 3474 N GLY B 27 6.098 42.388 95.722 1. 00 32.15 N
ATOM 3475 CA GLY B 27 5.399 42.959 94.583 1. 00 30.87 C
ATOM 3476 C GLY B 27 5.094 44.445 94.693 1. 00 28.25 C
ATOM 3477 0 GLY B 27 4.643 45.049 93.743 1. 00 28.42 0
ATOM 3478 N GLU B 28 5.324 45.021 95.865 1. 00 30.48 N
ATOM 3479 CA GLU B 28 4.891 46.389 96 .150 1. 00 31.09 C
ATOM 3480 C GLU B 28 5.771 47.404 95.438 1. 00 27.56 C
ATOM 3481 0 GLU B 28 6.979 47.334 95.520 1. 00 26.00 0
ATOM 3482 CB GLU B 28 4.912 46.654 97.665 1. 00 31.69 C
ATOM 3483 CG GLU B 28 4.324 47.991 98.080 1. 00 37.14 C
ATOM 3484 CD GLU B 28 3.879 48.024 99.539 1. 00 47.48 C
ATOM 3485 OE1 GLU B 28 4.113 47.039 100.282 1. 00 44.93 0
ATOM 3486 OE2 GLU B 28 3.289 49.049 99.936 1. 00 48.10 0
ATOM 3487 N LEU B 29 5.132 48.356 94.763 1. 00 29.72 N
ATOM 3488 CA LEU B 29 5.823 49.440 94.103 1. 00 28.54 C
ATOM 3489 C LEU B 29 6.394 50.466 95.099 1. 00 29.16 C
ATOM 3490 0 LEU B 29 5.675 51.049 95.900 1. 00 31. 37 0
ATOM 3491 CB LEU B 29 4.880 50.131 93.121 1. 00 29.61 C
ATOM 3492 CG LEU B 29 5.534 51.204 92.250 1. 00 30.55 C
ATOM 3493 CD1 LEU B 29 6.696 50.606 91.424 1. 00 27.84 C
ATOM 3494 CD2 LEU B 29 4.479 51.867 91.344 1. 00 31.63 C
ATOM 3495 N LEU B 30 7.697 50.668 95.035 1. 00 26.34 N
ATOM 3496 CA LEU B 30 8.407 51.474 95.986 1. 00 26.61 C
ATOM 3497 C LEU B 30 8.780 52.838 95.413 1. 00 28.98 C
ATOM 3498 0 LEU B 30 8.882 53.828 96 .146 1. 00 31.91 0
ATOM 3499 CB LEU B 30 9.660 50.734 96.441 1. 00 25.83 C
ATOM 3500 CG LEU B 30 9.443 49.312 97.008 1. 00 24.20 C
ATOM 3501 CD1 LEU B 30 10.718 48.838 97.611 1. 00 24.11 C
ATOM 3502 CD2 LEU B 30 8.274 49.243 98.069 1. 00 22.36 C
ATOM 3503 N PHE B 31 9.009 52.894 94.103 1. 00 26.14 N
ATOM 3504 CA PHE B 31 9.462 54.125 93.483 1. 00 24.70 C
ATOM 3505 C PHE B 31 9.440 53.911 91.987 1. 00 23.71 C
ATOM 3506 0 PHE B 31 9.606 52.792 91.515 1. 00 24.54 0
ATOM 3507 CB PHE B 31 10.872 54.466 93.961 1. 00 23.85 C
ATOM 3508 CG PHE B 31 11.219 55.927 93.861 1. 00 31.97 C
ATOM 3509 CD1 PHE B 31 10.887 56.810 94.889 1. 00 38.05 C
ATOM 3510 CE1 PHE B 31 11.231 58.182 94.801 1. 00 39.41 C
ATOM 3511 CZ PHE B 31 11.916 58.662 93.674 1. 00 40.49 C
ATOM 3512 CE2 PHE B 31 12.252 57.776 92.641 1. 00 39.96 C
ATOM 3513 CD2 PHE B 31 11.905 56.419 92.746 1. 00 30.41 C
ATOM 3514 N ARG B 32 9.156 54.970 91.244 1. 00 25.32 N
ATOM 3515 CA ARG B 32 9.262 54.919 89.793 1. 00 24.44 C
ATOM 3516 C ARG B 32 9.958 56.171 89.291 1. 00 25.53 C
ATOM 3517 0 ARG B 32 9.855 57.232 89.923 1. 00 25.01 0
ATOM 3518 CB ARG B 32 7.907 54.678 89.137 1. 00 24.24 C
ATOM 3519 CG ARG B 32 6.864 55.739 89.298 1. 00 27.53 C

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Figure IA-65

Atom Type Residue # X Y Z Oee B Type

ATOM 3520 CD ARG B 32 5.514 55.149 88.925 1. 00 35.04 C
ATOM 3521 NE ARG B 32 5.504 54.646 87.547 1. 00 36.32 N
ATOM 3522 CZ ARG B 32 4.414 54.191 86.925 1. 00 45.96 C
ATOM 3523 NH1 ARG B 32 3.223 54.151 87.556 1. 00 47.69 N
ATOM 3524 NH2 ARG B 32 4.514 53.765 85.669 1. 00 45.85 N
ATOM 3525 N SER B 33 10.691 56.043 88.177 1. 00 22.76 N
ATOM 3526 CA SER B 33 11.485 57.145 87.709 1. 00 25.09 C
ATOM 3527 C SER B 33 11.793 57.088 86.217 1. 00 22.42 C
ATOM 3528 0 SER B 33 12.163 56.069 85.689 1. 00 21.88 0
ATOM 3529 CB SER B 33 12.799 57.190 88.494 1. 00 25.43 C
ATOM 3530 OG SER B 33 13.535 58.339 88.201 1. 00 25.26 0
ATOM 3531 N ASP B 34 11.644 58.231 85.571 1. 00 23.50 N
ATOM 3532 CA ASP B 34 12.303 58.503 84.323 1. 00 22.78 C
ATOM 3533 C ASP B 34 13 .776 58.792 84.588 1. 00 18.63 C
ATOM 3534 0 ASP B 34 14.192 59.087 85.721 1. 00 19.14 0
ATOM 3535 CB ASP B 34 11.627 59.672 83.613 1. 00 22.30 C
ATOM 3536 CG ASP B 34 10.311 59.258 82.917 1. 00 32.22 C
ATOM 3537 OD1 ASP B 34 9.919 58.065 82.948 1. 00 31.10 0
ATOM 3538 OD2 ASP B 34 9.669 60.134 82.322 1. 00 41.79 0
ATOM 3539 N PRO B 35 14.606 58.672 83.551 1. 00 19.53 N
ATOM 3540 CA PRO B 35 16.021 58.977 83.733 1. 00 18.67 C
ATOM 3541 C PRO B 35 16.285 60.466 83.902 1. 00 16.23 C
ATOM 3542 0 PRO B 35 15.537 61.269 83.374 1. 00 19.95 0
ATOM 3543 CB PRO B 35 16.656 58.465 82.427 1. 00 18.84 C
ATOM 3544 CG PRO B 35 15.591 57.630 81.781 1. 00 17.61 C
ATOM 3545 CD PRO B 35 14.321 58.251 82.173 1. 00 20.90 C
ATOM 3546 N LEU B 36 17.327 60.834 84.636 1. 00 15.67 N
ATOM 3547 CA LEU B 36 17.860 62.213 84.590 1. 00 16.34 C
ATOM 3548 C LEU B 36 18.356 62.471 83.174 1. 00 19.17 C
ATOM 3549 0 LEU B 36 18.013 63.491 82.590 1. 00 18.58 0
ATOM 3550 CB LEU B 36 18.989 62.405 85.564 1. 00 17.29 C
ATOM 3551 CG LEU B 36 19.810 63.705 85.538 1. 00 14.96 C
ATOM 3552 CD1 LEU B 36 18.976 64.962 85.879 1. 00 21.16 C
ATOM 3553 CD2 LEU B 36 21.115 63.614 86.293 1. 00 16.29 C
ATOM 3554 N ALA B 37 19.103 61.495 82.635 1. 00 19.28 N
ATOM 3555 CA ALA B 37 19.512 61.455 81.228 1. 00 20.31 C
ATOM 3556 C ALA B 37 19.745 59.999 80.832 1. 00 18.52 C
ATOM 3557 0 ALA B 37 20.072 59.178 81.653 1. 00 16.98 0
ATOM 3558 CB ALA B 37 20.774 62.250 81.015 1. 00 22.31 C
ATOM 3559 N TYR B 38 19.598 59.693 79.553 1. 00 19.10 N
ATOM 3560 CA TYR B 38 19.866 58.328 79.062 1. 00 18.11 C
ATOM 3561 C TYR B 38 20.269 58.397 77.585 1. 00 18.41 C
ATOM 3562 0 TYR B 38 20.063 59.414 76.922 1. 00 17.48 0
ATOM 3563 CB TYR B 38 18.662 57.417 79.249 1. 00 14.88 C
ATOM 3564 CG TYR B 38 17.519 57.705 78.322 1. 00 19.83 C
ATOM 3565 CD1 TYR B 38 17.238 56.834 77.250 1. 00 18.97 C
ATOM 3566 CE1 TYR B 38 16.197 57.099 76.372 1. 00 16.09 C
ATOM 3567 CZ TYR B 38 15.425 58.243 76.556 1. 00 17.02 C
ATOM 3568 OH TYR B 38 14.405 58.484 75.702 1. 00 19.49 0
ATOM 3569 CE2 TYR B 38 15.682 59.130 77.617 1. 00 20.98 C
ATOM 3570 CD2 TYR B 38 16.733 58.859 78.474 1. 00 18.56 C
ATOM 3571 N THR B 39 20.852 57.305 77.094 1. 00 18.98 N
ATOM 3572 CA THR B 39 21.163 57.161 75.665 1. 00 16.50 C
ATOM 3573 C THR B 39 21.023 55.687 75.288 1. 00 14.53 C
ATOM 3574 0 THR B 39 21.228 54.804 76.128 1. 00 17.33 0

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Figure IA-66

Atom Type Residue # X Y Z Oee B Type

ATOM 3575 CB THR B 39 22.600 57.665 75.332 1. 00 15.59 C
ATOM 3576 OG1 THR B 39 22.847 57.545 73.925 1. 00 17.17 0
ATOM 3577 CG2 THR B 39 23.650 56.894 76.049 1. 00 16.88 C
ATOM 3578 N VAL B 40 20.707 55.435 74.024 1. 00 19.75 N
ATOM 3579 CA VAL B 40 20.773 54.084 73.432 1. 00 19.35 C
ATOM 3580 C VAL B 40 22.235 53.625 73.545 1. 00 16.26 C
ATOM 3581 0 VAL B 40 23.139 54.453 73.488 1. 00 18.92 0
ATOM 3582 CB VAL B 40 20.259 54.120 71.937 1. 00 19.63 C
ATOM 3583 CG1 VAL B 40 21.110 55.065 71.065 1. 00 18.12 C
ATOM 3584 CG2 VAL B 40 20.193 52.725 71.314 1. 00 25.17 C
ATOM 3585 N CYS B 41 22.478 52.332 73.751 1. 00 16.05 N
ATOM 3586 CA CYS B 41 23.837 51.808 73.838 1. 00 19.80 C
ATOM 3587 C CYS B 41 24.498 51.592 72.476 1. 00 19.06 C
ATOM 3588 0 CYS B 41 23.811 51.503 71.467 1. 00 23.52 0
ATOM 3589 CB BCYS B 41 23.787 50.403 74.425 0.35 19.16 C
ATOM 3590 CB ACYS B 41 23.917 50.583 74.744 0.65 18.51 C
ATOM 3591 SG BCYS B 41 23.638 50.291 76.150 0.35 25.10 S
ATOM 3592 SG ACYS B 41 22.938 49.256 74.150 0.65 25.54 S
ATOM 3593 N LYS B 42 25.821 51. 453 72.488 1. 00 20.91 N
ATOM 3594 CA LYS B 42 26.634 51. 214 71.278 1. 00 26.74 C
ATOM 3595 C LYS B 42 26.048 50.202 70.272 1. 00 24.09 C
ATOM 3596 0 LYS B 42 25.805 50.520 69.094 1. 00 23.99 0
ATOM 3597 CB LYS B 42 28.057 50.736 71.699 1. 00 29.28 C
ATOM 3598 N GLY B 43 25.826 48.986 70.753 1. 00 25.06 N
ATOM 3599 CA GLY B 43 25.317 47.910 69.909 1. 00 23.10 C
ATOM 3600 C GLY B 43 23.874 48.004 69.416 1. 00 21.15 C
ATOM 3601 0 GLY B 43 23.507 47.324 68.475 1. 00 21.74 0
ATOM 3602 N SER B 44 23.058 48.841 70.051 1. 00 20.64 N
ATOM 3603 CA SER B 44 21.633 48.945 69.744 1. 00 17.14 C
ATOM 3604 C SER B 44 21.315 50.199 68.927 1. 00 18.50 C
ATOM 3605 0 SER B 44 20.195 50.359 68.471 1. 00 17.54 0
ATOM 3606 CB SER B 44 20.775 48.903 71.026 1. 00 14.99 C
ATOM 3607 OG SER B 44 20.827 47.599 71.617 1. 00 20.39 0
ATOM 3608 N ARG B 45 22.320 51.040 68.715 1. 00 16.76 N
ATOM 3609 CA ARG B 45 22.184 52.236 67.883 1. 00 22.69 C
ATOM 3610 C ARG B 45 21.881 51.821 66.428 1. 00 23.10 C
ATOM 3611 0 ARG B 45 22.554 50.947 65.850 1. 00 21. 43 0
ATOM 3612 CB ARG B 45 23.469 53.040 67.938 1. 00 22.72 C
ATOM 3613 CG ARG B 45 23.562 54.054 66.867 1. 00 29.16 C
ATOM 3614 CD ARG B 45 24.687 54.976 67.126 1. 00 30.50 C
ATOM 3615 NE ARG B 45 25.975 54.429 66.732 1. 00 26.78 N
ATOM 3616 CZ ARG B 45 26.697 54.848 65.693 1. 00 31.68 C
ATOM 3617 NH1 ARG B 45 26.258 55.817 64.883 1. 00 29.79 N
ATOM 3618 NH2 ARG B 45 27.881 54.291 65.465 1. 00 29.38 N
ATOM 3619 N GLY B 46 20.840 52.405 65.870 1. 00 22.01 N
ATOM 3620 CA GLY B 46 20.422 52.055 64.525 1. 00 22.10 C
ATOM 3621 C GLY B 46 19.513 50.852 64.482 1. 00 22.28 C
ATOM 3622 0 GLY B 46 18.953 50.560 63.441 1. 00 22.70 0
ATOM 3623 N VAL B 47 19.377 50.139 65.611 1. 00 20.87 N
ATOM 3624 CA VAL B 47 18.454 49.025 65.727 1. 00 19.61 C
ATOM 3625 C VAL B 47 17.206 49.420 66.513 1. 00 18.82 C
ATOM 3626 0 VAL B 47 16.094 49.126 66.112 1. 00 23.33 0
ATOM 3627 CB VAL B 47 19.139 47.713 66.384 1. 00 19.76 C
ATOM 3628 CG1 VAL B 47 18.248 46.570 66.246 1. 00 24.46 C
ATOM 3629 CG2 VAL B 47 20.468 47.414 65.759 1. 00 22.06 C

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Figure IA-67

Atom Type Residue # X Y Z Oee B Type

ATOM 3630 N VAL B 48 17.382 50.098 67.638 1. 00 18.80 N
ATOM 3631 CA VAL B 48 16.245 50.557 68.408 1. 00 20.17 C
ATOM 3632 C VAL B 48 16.113 52.076 68.301 1. 00 18.42 C
ATOM 3633 0 VAL B 48 17.079 52.792 68.008 1. 00 19.80 0
ATOM 3634 CB VAL B 48 16.280 50.109 69.924 1. 00 22.39 C
ATOM 3635 CG1 VAL B 48 16.679 48.595 70.069 1. 00 21. 22 C
ATOM 3636 CG2 VAL B 48 17.154 51.032 70.772 1. 00 18.23 C
ATOM 3637 N CYS B 49 14.911 52.544 68.572 1. 00 19.63 N
ATOM 3638 CA CYS B 49 14.609 53.950 68.572 1. 00 19.06 C
ATOM 3639 C CYS B 49 15.412 54.680 69.672 1. 00 17.16 C
ATOM 3640 0 CYS B 49 15.424 54.254 70.807 1. 00 20.53 0
ATOM 3641 CB CYS B 49 13 .104 54.136 68.764 1. 00 19.90 C
ATOM 3642 SG CYS B 49 12.601 55.869 68.824 1. 00 19.57 S
ATOM 3643 N ASP B 50 16.071 55.776 69.329 1. 00 15.18 N
ATOM 3644 CA ASP B 50 16.773 56.631 70.317 1. 00 17.24 C
ATOM 3645 C ASP B 50 15.891 56.985 71.517 1. 00 17.85 C
ATOM 3646 0 ASP B 50 16.381 57.110 72.615 1. 00 19.96 0
ATOM 3647 CB ASP B 50 17.224 57.956 69.681 1. 00 14.53 C
ATOM 3648 CG ASP B 50 18.652 57.900 69.093 1. 00 18.96 C
ATOM 3649 OD1 ASP B 50 19.044 56.888 68.461 1. 00 25.85 0
ATOM 3650 OD2 ASP B 50 19.374 58.905 69.271 1. 00 27.51 0
ATOM 3651 N ARG B 51 14.590 57.173 71.274 1. 00 18.12 N
ATOM 3652 CA ARG B 51 13 .694 57.698 72.272 1. 00 19.37 C
ATOM 3653 C ARG B 51 13 . 076 56.608 73.125 1. 00 19.08 C
ATOM 3654 0 ARG B 51 13.310 56.557 74.353 1. 00 21.60 0
ATOM 3655 CB ARG B 51 12.598 58.561 71.618 1. 00 17.99 C
ATOM 3656 CG ARG B 51 11.487 59.048 72.563 1. 00 24.75 C
ATOM 3657 CD ARG B 51 11.894 60.178 73.481 1. 00 39.77 C
ATOM 3658 NE ARG B 51 10.766 60.594 74.324 1. 00 46.87 N
ATOM 3659 CZ ARG B 51 10.875 61.337 75.431 1. 00 45.06 C
ATOM 3660 NH1 ARG B 51 12.058 61.744 75.863 1. 00 33.84 N
ATOM 3661 NH2 ARG B 51 9.792 61.652 76.130 1. 00 48.05 N
ATOM 3662 N CYS B 52 12.297 55.743 72.482 1. 00 19.39 N
ATOM 3663 CA CYS B 52 11.496 54.765 73.217 1. 00 20.38 C
ATOM 3664 C CYS B 52 12.184 53.416 73.417 1. 00 20.32 C
ATOM 3665 0 CYS B 52 11.672 52.559 74.145 1. 00 19.92 0
ATOM 3666 CB CYS B 52 10.161 54.587 72.514 1. 00 22.19 C
ATOM 3667 SG CYS B 52 10.260 53.771 70.939 1. 00 20.56 S
ATOM 3668 N LEU B 53 13.316 53.233 72.734 1. 00 17.28 N
ATOM 3669 CA LEU B 53 14.205 52.085 72.899 1. 00 17.73 C
ATOM 3670 C LEU B 53 13.545 50.755 72.421 1. 00 16.55 C
ATOM 3671 0 LEU B 53 13 .892 49.692 72.919 1. 00 20.45 0
ATOM 3672 CB LEU B 53 14.759 51.985 74.360 1. 00 18.76 C
ATOM 3673 CG LEU B 53 15.546 53.177 74.953 1. 00 17.05 C
ATOM 3674 CD1 LEU B 53 15.889 52.983 76.383 1. 00 14.77 C
ATOM 3675 CD2 LEU B 53 16.827 53.483 74.097 1. 00 16.91 C
ATOM 3676 N LEU B 54 12.574 50.855 71.507 1. 00 15.84 N
ATOM 3677 CA LEU B 54 11.951 49.700 70.858 1. 00 19.89 C
ATOM 3678 C LEU B 54 12.629 49.416 69.533 1. 00 19.28 C
ATOM 3679 0 LEU B 54 12.874 50.324 68.762 1. 00 19.79 0
ATOM 3680 CB LEU B 54 10.430 49.864 70.670 1. 00 18.77 C
ATOM 3681 CG LEU B 54 9.564 50.229 71.894 1. 00 20.23 C
ATOM 3682 CD1 LEU B 54 8.098 50.408 71.470 1. 00 19.52 C
ATOM 3683 CD2 LEU B 54 9.717 49.245 73.038 1. 00 20.70 C
ATOM 3684 N GLY B 55 12.976 48.155 69.299 1. 00 18.54 N

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Figure IA-68

Atom Type Residue # X Y Z Oee B Type

ATOM 3685 CA GLY B 55 13.587 47.745 68.024 1. 00 23.60 C
ATOM 3686 C GLY B 55 12.560 47.760 66.898 1. 00 25.34 C
ATOM 3687 0 GLY B 55 11.398 47.446 67.110 1. 00 30.39 0
ATOM 3688 N LYS B 56 12.977 48.131 65.696 1. 00 27.93 N
ATOM 3689 CA LYS B 56 12.043 48.251 64.575 1. 00 29.71 C
ATOM 3690 C LYS B 56 12.774 47.901 63.321 1. 00 30.72 C
ATOM 3691 0 LYS B 56 13 . 953 48.210 63.192 1. 00 35.65 0
ATOM 3692 CB LYS B 56 11.495 49.674 64.436 1. 00 29.97 C
ATOM 3693 CG LYS B 56 10.817 50.227 65.654 1. 00 27.65 C
ATOM 3694 CD LYS B 56 9.395 49.764 65.756 1. 00 27.38 C
ATOM 3695 CE LYS B 56 8.722 50.481 66.919 1. 00 35.55 C
ATOM 3696 NZ LYS B 56 7.351 49.955 67.168 1. 00 46.62 N
ATOM 3697 N GLU B 57 12.075 47.257 62.396 1. 00 32.71 N
ATOM 3698 CA GLU B 57 12.620 46.961 61.065 1. 00 34.41 C
ATOM 3699 C GLU B 57 13 .224 48.193 60.382 1. 00 33.06 C
ATOM 3700 0 GLU B 57 14.322 48.139 59.806 1. 00 34.39 0
ATOM 3701 CB GLU B 57 11.525 46.357 60.178 1. 00 38.06 C
ATOM 3702 N LYS B 58 12.506 49.313 60.453 1. 00 30.48 N
ATOM 3703 CA LYS B 58 12.969 50.534 59.811 1. 00 28.07 C
ATOM 3704 C LYS B 58 12.894 51.739 60.739 1. 00 23.67 C
ATOM 3705 0 LYS B 58 11.927 51.913 61.486 1. 00 21.82 0
ATOM 3706 CB LYS B 58 12.229 50.771 58.491 1. 00 31. 36 C
ATOM 3707 CG LYS B 58 12.700 49.847 57.368 1. 00 38.93 C
ATOM 3708 CD LYS B 58 11.989 50.138 56.065 1. 00 47.63 C
ATOM 3709 CE LYS B 58 12.308 49.078 55.032 1. 00 54.62 C
ATOM 3710 NZ LYS B 58 11.628 49.361 53.736 1. 00 54.82 N
ATOM 3711 N LEU B 59 13.960 52.529 60.725 1. 00 21.72 N
ATOM 3712 CA LEU B 59 14.007 53.768 61.494 1. 00 21.82 C
ATOM 3713 C LEU B 59 14.287 54.934 60.560 1. 00 16.35 C
ATOM 3714 0 LEU B 59 14.886 54.747 59.516 1. 00 24.14 0
ATOM 3715 CB LEU B 59 15.106 53.718 62.589 1. 00 19.20 C
ATOM 3716 CG LEU B 59 15.032 52.645 63.677 1. 00 16.61 C
ATOM 3717 CD1 LEU B 59 16.363 52.632 64.390 1. 00 21.18 C
ATOM 3718 CD2 LEU B 59 13.866 52.833 64.671 1. 00 17.33 C
ATOM 3719 N MET B 60 13.875 56.123 60.957 1. 00 17.86 N
ATOM 3720 CA MET B 60 14.279 57.327 60.262 1. 00 17.81 C
ATOM 3721 C MET B 60 15.461 57.901 61.032 1. 00 18.97 C
ATOM 3722 0 MET B 60 15.721 57.496 62.169 1. 00 25.06 0
ATOM 3723 CB MET B 60 13.131 58.332 60.214 1. 00 18.99 C
ATOM 3724 CG MET B 60 12.671 58.853 61.620 1. 00 20.22 C
ATOM 3725 SD MET B 60 11.248 59.962 61.527 1. 00 26.02 S
ATOM 3726 CE MET B 60 11.758 61.080 60.255 1. 00 26.63 C
ATOM 3727 N ARG B 61 16.185 58.820 60.420 1. 00 17.32 N
ATOM 3728 CA ARG B 61 17.275 59.479 61.117 1. 00 19.24 C
ATOM 3729 C ARG B 61 16.990 60.957 61.168 1. 00 18.36 C
ATOM 3730 0 ARG B 61 16.278 61.472 60.305 1. 00 19.83 0
ATOM 3731 CB ARG B 61 18.600 59.219 60.410 1. 00 19.51 C
ATOM 3732 CG ARG B 61 18.746 59.887 59.085 1. 00 20.25 C
ATOM 3733 CD ARG B 61 19.867 59.213 58.314 1. 00 24.44 C
ATOM 3734 NE ARG B 61 19.905 59.731 56.961 1. 00 28.27 N
ATOM 3735 CZ ARG B 61 20.737 59.311 56.018 1. 00 23.33 C
ATOM 3736 NH1 ARG B 61 21.628 58.344 56.274 1. 00 25.24 N
ATOM 3737 NH2 ARG B 61 20.659 59.847 54.815 1. 00 23.07 N
ATOM 3738 N CYS B 62 17.513 61.634 62.190 1. 00 18.14 N
ATOM 3739 CA CYS B 62 17.522 63.078 62.235 1. 00 18.27 C

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Figure IA-69

Atom Type Residue # X Y Z Oee B Type

ATOM 3740 C CYS B 62 18.214 63.580 60.963 1. 00 18.21 C
ATOM 3741 0 CYS B 62 19.316 63.136 60.639 1. 00 15.50 0
ATOM 3742 CB CYS B 62 18.311 63.551 63.457 1. 00 17.71 C
ATOM 3743 SG CYS B 62 18.611 65.328 63.620 1. 00 20.52 S
ATOM 3744 N SER B 63 17.561 64.512 60.268 1. 00 18.73 N
ATOM 3745 CA SER B 63 18.064 65.086 59.004 1. 00 22.36 C
ATOM 3746 C SER B 63 19.324 65.931 59.147 1. 00 22.60 C
ATOM 3747 0 SER B 63 20.087 66.057 58.191 1. 00 22.38 0
ATOM 3748 CB SER B 63 16.968 65.981 58.358 1. 00 19.59 C
ATOM 3749 OG SER B 63 16.083 65.142 57.703 1. 00 33.89 0
ATOM 3750 N GLN B 64 19.507 66.509 60.333 1. 00 23.47 N
ATOM 3751 CA GLN B 64 20.587 67.433 60.634 1. 00 24.54 C
ATOM 3752 C GLN B 64 21.914 66.713 60.901 1. 00 22.67 C
ATOM 3753 0 GLN B 64 22.914 67.023 60.261 1. 00 26.02 0
ATOM 3754 CB GLN B 64 20.208 68.420 61.782 1. 00 24.42 C
ATOM 3755 CG GLN B 64 18.844 69.118 61.639 1. 00 31. 34 C
ATOM 3756 CD GLN B 64 18.552 69.569 60.212 1. 00 44.56 C
ATOM 3757 OE1 GLN B 64 17.630 69.062 59.560 1. 00 44.76 0
ATOM 3758 NE2 GLN B 64 19.349 70.517 59.715 1. 00 41.10 N
ATOM 3759 N CYS B 65 21.922 65.733 61.804 1. 00 23.41 N
ATOM 3760 CA CYS B 65 23.138 64.952 62.081 1. 00 18.69 C
ATOM 3761 C CYS B 65 23.263 63.656 61.322 1. 00 20.01 C
ATOM 3762 0 CYS B 65 24.365 63.158 61.111 1. 00 18.85 0
ATOM 3763 CB CYS B 65 23.272 64.664 63.571 1. 00 18.35 C
ATOM 3764 SG CYS B 65 21.925 63.803 64.355 1. 00 21.15 S
ATOM 3765 N ARG B 66 22.116 63.083 60.951 1. 00 20.75 N
ATOM 3766 CA ARG B 66 22.050 61.755 60.336 1. 00 21.03 C
ATOM 3767 C ARG B 66 22.553 60.641 61.291 1. 00 18.36 C
ATOM 3768 0 ARG B 66 22.910 59.576 60.849 1. 00 24.17 0
ATOM 3769 CB ARG B 66 22.809 61.740 58.971 1. 00 20.33 C
ATOM 3770 CG ARG B 66 22.182 62.492 57.828 1. 00 19.42 C
ATOM 3771 CD ARG B 66 22.992 62.209 56.496 1. 00 21.60 C
ATOM 3772 NE ARG B 66 22.327 62.694 55.308 1. 00 32.08 N
ATOM 3773 CZ ARG B 66 22.662 62.375 54.054 1. 00 35.43 C
ATOM 3774 NH1 ARG B 66 23.679 61.552 53.790 1. 00 30.70 N
ATOM 3775 NH2 ARG B 66 21.967 62.886 53.050 1. 00 43.64 N
ATOM 3776 N VAL B 67 22.591 60.891 62.597 1. 00 18.80 N
ATOM 3777 CA VAL B 67 23.104 59.910 63.573 1. 00 18.41 C
ATOM 3778 C VAL B 67 21.969 59.385 64.478 1. 00 20.75 C
ATOM 3779 0 VAL B 67 21.821 58.173 64.637 1. 00 22.79 0
ATOM 3780 CB VAL B 67 24.291 60.463 64.449 1. 00 16.91 C
ATOM 3781 CG1 VAL B 67 24.728 59.460 65.517 1. 00 17.17 C
ATOM 3782 CG2 VAL B 67 25.492 60.885 63.556 1. 00 16.46 C
ATOM 3783 N ALA B 68 21.180 60.287 65.059 1. 00 18.56 N
ATOM 3784 CA ALA B 68 20.025 59.893 65.880 1. 00 16.33 C
ATOM 3785 C ALA B 68 18.972 59.254 64.994 1. 00 17.56 C
ATOM 3786 0 ALA B 68 18.743 59.683 63.862 1. 00 15.39 0
ATOM 3787 CB ALA B 68 19.458 61.027 66.624 1. 00 13.93 C
ATOM 3788 N LYS B 69 18.420 58.157 65.502 1. 00 16.96 N
ATOM 3789 CA LYS B 69 17.455 57.345 64.783 1. 00 15.38 C
ATOM 3790 C LYS B 69 16.153 57.152 65.602 1. 00 16.05 C
ATOM 3791 0 LYS B 69 16.192 56.975 66.827 1. 00 16.91 0
ATOM 3792 CB LYS B 69 18.092 56.051 64.352 1. 00 17.17 C
ATOM 3793 CG LYS B 69 19.226 56.282 63.289 1. 00 20.65 C
ATOM 3794 CD LYS B 69 19.408 55.085 62.407 1. 00 36.19 C

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Figure IA-70

Atom Type Residue # X Y Z Oee B Type

ATOM 3795 CE LYS B 69 20.630 55.219 61.511 1. 00 38.14 C
ATOM 3796 NZ LYS B 69 20.540 56.411 60.624 1. 00 51.82 N
ATOM 3797 N TYR B 70 15.013 57.190 64.916 1. 00 14.91 N
ATOM 3798 CA TYR B 70 13.695 57.187 65.580 1. 00 16.24 C
ATOM 3799 C TYR B 70 12.699 56.304 64.836 1. 00 18.59 C
ATOM 3800 0 TYR B 70 12.820 56.090 63.621 1. 00 19.92 0
ATOM 3801 CB TYR B 70 13 .122 58.613 65.728 1. 00 14.70 C
ATOM 3802 CG TYR B 70 14.041 59.632 66.369 1. 00 18.36 C
ATOM 3803 CD1 TYR B 70 14.210 59.666 67.759 1. 00 18.43 C
ATOM 3804 CE1 TYR B 70 15.058 60.584 68.348 1. 00 23.55 C
ATOM 3805 CZ TYR B 70 15.762 61.491 67.556 1. 00 15.09 C
ATOM 3806 OH TYR B 70 16.560 62.392 68.174 1. 00 16.80 0
ATOM 3807 CE2 TYR B 70 15.624 61.478 66.187 1. 00 16.91 C
ATOM 3808 CD2 TYR B 70 14.757 60.558 65.595 1. 00 14.52 C
ATOM 3809 N CYS B 71 11.724 55.775 65.580 1. 00 20.08 N
ATOM 3810 CA CYS B 71 10.742 54.818 65.044 1. 00 19.12 C
ATOM 3811 C CYS B 71 9.574 55.507 64.384 1. 00 18.58 C
ATOM 3812 0 CYS B 71 8.743 54.848 63.738 1. 00 21.79 0
ATOM 3813 CB CYS B 71 10.205 53.951 66.179 1. 00 22.80 C
ATOM 3814 SG CYS B 71 9.226 54.833 67.421 1. 00 22.94 S
ATOM 3815 N SER B 72 9.507 56.816 64.578 1. 00 18.83 N
ATOM 3816 CA SER B 72 8.336 57.651 64.228 1. 00 21.53 C
ATOM 3817 C SER B 72 8.693 59.105 64.313 1. 00 21.00 C
ATOM 3818 0 SER B 72 9.644 59.493 64.979 1. 00 23.64 0
ATOM 3819 CB SER B 72 7.172 57.410 65.217 1. 00 21.70 C
ATOM 3820 OG SER B 72 7.589 57.612 66.565 1. 00 20.33 0
ATOM 3821 N ALA B 73 7.867 59.947 63.695 1. 00 24.96 N
ATOM 3822 CA ALA B 73 7.966 61.382 63.870 1. 00 19.73 C
ATOM 3823 C ALA B 73 7.666 61.806 65.316 1. 00 21. 33 C
ATOM 3824 0 ALA B 73 8.263 62.734 65.825 1. 00 21.12 0
ATOM 3825 CB ALA B 73 7.007 62.090 62.877 1. 00 26.13 C
ATOM 3826 N LYS B 74 6.739 61.119 65.973 1. 00 21.96 N
ATOM 3827 CA LYS B 74 6.371 61.468 67.344 1. 00 24.81 C
ATOM 3828 C LYS B 74 7.579 61.341 68.291 1. 00 21.90 C
ATOM 3829 0 LYS B 74 7.843 62.231 69.094 1. 00 21.98 0
ATOM 3830 CB LYS B 74 5.205 60.602 67.813 1. 00 24.58 C
ATOM 3831 CG LYS B 74 4.516 61.088 69.077 1. 00 33.06 C
ATOM 3832 CD LYS B 74 3.552 60.028 69.635 1. 00 35.15 C
ATOM 3833 CE LYS B 74 2.298 60.662 70.277 1. 00 54.14 C
ATOM 3834 NZ LYS B 74 2.581 61.642 71.378 1. 00 57.86 N
ATOM 3835 N CYS B 75 8.308 60.231 68.189 1. 00 21.62 N
ATOM 3836 CA CYS B 75 9.577 60.089 68.924 1. 00 20.97 C
ATOM 3837 C CYS B 75 10.658 61.115 68.558 1. 00 18.49 C
ATOM 3838 0 CYS B 75 11.324 61.638 69.439 1. 00 20.25 0
ATOM 3839 CB CYS B 75 10.109 58.665 68.793 1. 00 20.24 C
ATOM 3840 SG CYS B 75 9.266 57.504 69.913 1. 00 22.93 S
ATOM 3841 N GLN B 76 10.838 61.415 67.272 1. 00 18.22 N
ATOM 3842 CA GLN B 76 11.794 62.415 66.902 1. 00 23.25 C
ATOM 3843 C GLN B 76 11.467 63.744 67.596 1. 00 21. 40 C
ATOM 3844 0 GLN B 76 12.334 64.355 68.179 1. 00 22.37 0
ATOM 3845 CB GLN B 76 11.884 62.596 65.385 1. 00 23.82 C
ATOM 3846 CG GLN B 76 12.745 63.795 65.042 1. 00 25.90 C
ATOM 3847 CD GLN B 76 12.955 63.914 63.588 1. 00 28.76 C
ATOM 3848 OE1 GLN B 76 12.071 63.578 62.792 1. 00 32.81 0
ATOM 3849 NE2 GLN B 76 14.132 64.369 63.209 1. 00 35.32 N

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Figure lA-71

Atom Type Residue # X Y Z Oee B Type

ATOM 3850 N LYS B 77 10.189 64.130 67.590 1. 00 25.39 N
ATOM 3851 CA LYS B 77 9.774 65.384 68.219 1. 00 26.31 C
ATOM 3852 C LYS B 77 9.911 65.349 69.738 1. 00 26.08 C
ATOM 3853 0 LYS B 77 10.445 66.268 70.308 1. 00 26.45 0
ATOM 3854 CB LYS B 77 8.363 65.802 67.766 1. 00 27.07 C
ATOM 3855 N LYS B 78 9.509 64.263 70.395 1. 00 26.99 N
ATOM 3856 CA LYS B 78 9.624 64.204 71.851 1. 00 25.89 C
ATOM 3857 C LYS B 78 11.058 64.040 72.346 1. 00 25.06 C
ATOM 3858 0 LYS B 78 11.355 64.322 73.490 1. 00 24.74 0
ATOM 3859 CB LYS B 78 8.702 63.138 72.426 1. 00 31. 25 C
ATOM 3860 CG LYS B 78 7.214 63.452 72.166 1. 00 33.21 C
ATOM 3861 CD LYS B 78 6.739 64.641 72.980 1. 00 47.71 C
ATOM 3862 CE LYS B 78 5.589 65.386 72.300 1. 00 53.75 C
ATOM 3863 NZ LYS B 78 5.504 66.795 72.796 1. 00 53.11 N
ATOM 3864 N ALA B 79 11.947 63.604 71.458 1. 00 21.79 N
ATOM 3865 CA ALA B 79 13.366 63.522 71.766 1. 00 19.52 C
ATOM 3866 C ALA B 79 14.115 64.840 71.575 1. 00 19.38 C
ATOM 3867 0 ALA B 79 15.231 64.968 72.053 1. 00 21.63 0
ATOM 3868 CB ALA B 79 14.034 62.381 70.928 1. 00 17.76 C
ATOM 3869 N TRP B 80 13.509 65.819 70.900 1. 00 20.42 N
ATOM 3870 CA TRP B 80 14.206 67.076 70.587 1. 00 23.65 C
ATOM 3871 C TRP B 80 14.866 67.819 71.754 1. 00 22.11 C
ATOM 3872 0 TRP B 80 16.049 68.151 71.678 1. 00 22.85 0
ATOM 3873 CB TRP B 80 13.373 68.003 69.672 1. 00 25.53 C
ATOM 3874 CG TRP B 80 14.154 69.230 69.247 1. 00 26.09 C
ATOM 3875 CD1 TRP B 80 13 . 943 70.516 69.664 1. 00 27.44 C
ATOM 3876 NE1 TRP B 80 14.853 71.346 69.098 1. 00 31. 45 N
ATOM 3877 CE2 TRP B 80 15.700 70.616 68.300 1. 00 36.00 C
ATOM 3878 CD2 TRP B 80 15.295 69.269 68.382 1. 00 29.94 C
ATOM 3879 CE3 TRP B 80 16.012 68.298 67.659 1. 00 33.35 C
ATOM 3880 CZ3 TRP B 80 17.111 68.710 66.882 1. 00 33.82 C
ATOM 3881 CH2 TRP B 80 17.485 70.069 66.825 1. 00 29.72 C
ATOM 3882 CZ2 TRP B 80 16.795 71.029 67.531 1. 00 28.14 C
ATOM 3883 N PRO B 81 14.138 68.048 72.865 1. 00 23.55 N
ATOM 3884 CA PRO B 81 14.836 68.572 74.015 1. 00 21. 45 C
ATOM 3885 C PRO B 81 16.135 67.891 74.402 1. 00 21.09 C
ATOM 3886 0 PRO B 81 17.101 68.585 74.734 1. 00 20.96 0
ATOM 3887 CB PRO B 81 13.805 68.450 75.155 1. 00 21. 42 C
ATOM 3888 CG PRO B 81 12.508 68.421 74.504 1. 00 26.48 C
ATOM 3889 CD PRO B 81 12.687 67.930 73.107 1. 00 25.05 C
ATOM 3890 N ASP B 82 16.184 66.558 74.371 1. 00 21.06 N
ATOM 3891 CA ASP B 82 17.397 65.868 74.774 1. 00 18.96 C
ATOM 3892 C ASP B 82 18.431 65.844 73.646 1. 00 18.84 C
ATOM 3893 0 ASP B 82 19.606 65.695 73.903 1. 00 24.26 0
ATOM 3894 CB ASP B 82 17.106 64.428 75.177 1. 00 24.00 C
ATOM 3895 CG ASP B 82 16.272 64.304 76.437 1. 00 29.64 C
ATOM 3896 OD1 ASP B 82 16.129 65.292 77.184 1. 00 32.79 0
ATOM 3897 OD2 ASP B 82 15.764 63.178 76.673 1. 00 37.14 0
ATOM 3898 N HIS B 83 17.984 66.008 72.412 1. 00 18.78 N
ATOM 3899 CA HIS B 83 18.850 65.889 71.240 1. 00 15.72 C
ATOM 3900 C HIS B 83 19.371 67.241 70.762 1. 00 19.13 C
ATOM 3901 0 HIS B 83 20.457 67.323 70.184 1. 00 18.65 0
ATOM 3902 CB HIS B 83 18.106 65.104 70.122 1. 00 17.39 C
ATOM 3903 CG HIS B 83 18.921 64.910 68.886 1. 00 15.90 C
ATOM 3904 ND1 HIS B 83 20.102 64.208 68.879 1. 00 13 .46 N

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Figure IA-72

Atom Type Residue # X Y Z Oee B Type

ATOM 3905 CE1 HIS B 83 20.614 64.221 67.662 1. 00 14.09 C
ATOM 3906 NE2 HIS B 83 19.828 64.943 66.890 1. 00 14.91 N
ATOM 3907 CD2 HIS B 83 18.758 65.385 67.626 1. 00 22.35 C
ATOM 3908 N LYS B 84 18.606 68.305 71.029 1. 00 21. 37 N
ATOM 3909 CA LYS B 84 18.902 69.684 70.519 1. 00 22.76 C
ATOM 3910 C LYS B 84 20.377 70.011 70.584 1. 00 20.67 C
ATOM 3911 0 LYS B 84 20.980 70.341 69.567 1. 00 21.91 0
ATOM 3912 CB LYS B 84 18.108 70.727 71.298 1. 00 24.38 C
ATOM 3913 CG LYS B 84 18.143 72.143 70.745 1. 00 36.17 C
ATOM 3914 CD LYS B 84 18.089 73.216 71.855 1. 00 51.03 C
ATOM 3915 CE LYS B 84 17 . 003 72.960 72.908 1. 00 60.26 C
ATOM 3916 NZ LYS B 84 15.628 72.935 72.320 1. 00 66.65 N
ATOM 3917 N ARG B 85 20.964 69.893 71.776 1. 00 19.77 N
ATOM 3918 CA ARG B 85 22.338 70.231 71.982 1. 00 17.28 C
ATOM 3919 C ARG B 85 23.339 69.183 71.519 1. 00 21. 49 C
ATOM 3920 0 ARG B 85 24.506 69.507 71.337 1. 00 25.86 0
ATOM 3921 CB ARG B 85 22.616 70.616 73.437 1. 00 19.09 C
ATOM 3922 CG ARG B 85 21.848 71.857 74.017 1. 00 22.79 C
ATOM 3923 CD ARG B 85 21.935 73.184 73.250 1. 00 29.93 C
ATOM 3924 NE ARG B 85 23.262 73.797 73.274 1. 00 35.94 N
ATOM 3925 CZ ARG B 85 23.768 74.480 74.301 1. 00 27.12 C
ATOM 3926 NH1 ARG B 85 23.076 74.620 75.423 1. 00 28.30 N
ATOM 3927 NH2 ARG B 85 24.994 74.977 74.219 1. 00 26.97 N
ATOM 3928 N GLU B 86 22.928 67.931 71.335 1. 00 20.78 N
ATOM 3929 CA GLU B 86 23.905 66.913 70.941 1. 00 18.76 C
ATOM 3930 C GLU B 86 24.054 66.751 69.435 1. 00 16.38 C
ATOM 3931 0 GLU B 86 25.061 66.209 68.980 1. 00 16.37 0
ATOM 3932 CB GLU B 86 23.621 65.548 71.590 1. 00 22.21 C
ATOM 3933 CG GLU B 86 22.298 64.959 71.307 1. 00 26.86 C
ATOM 3934 CD GLU B 86 22.197 63.460 71.634 1. 00 19.00 C
ATOM 3935 OE1 GLU B 86 22.924 62.943 72.524 1. 00 20.23 0
ATOM 3936 OE2 GLU B 86 21.335 62.825 71.009 1. 00 16.07 0
ATOM 3937 N CYS B 87 23.028 67.168 68.702 1. 00 17.45 N
ATOM 3938 CA CYS B 87 22.950 67.002 67.238 1. 00 17.62 C
ATOM 3939 C CYS B 87 24.246 67.447 66.536 1. 00 16.62 C
ATOM 3940 0 CYS B 87 24.840 66.677 65.791 1. 00 18.81 0
ATOM 3941 CB CYS B 87 21.777 67.826 66.696 1. 00 16.83 C
ATOM 3942 SG CYS B 87 21.355 67.558 64.971 1. 00 19.28 S
ATOM 3943 N LYS B 88 24.654 68.698 66.743 1. 00 18.71 N
ATOM 3944 CA LYS B 88 25.880 69.208 66.104 1. 00 20.73 C
ATOM 3945 C LYS B 88 27.122 68.464 66.537 1. 00 18.09 C
ATOM 3946 0 LYS B 88 28.043 68.324 65.756 1. 00 18.48 0
ATOM 3947 CB LYS B 88 26.076 70.723 66.371 1. 00 19.16 C
ATOM 3948 CG LYS B 88 25.306 71.656 65.411 1. 00 31. 23 C
ATOM 3949 CD LYS B 88 25.496 73.123 65.851 1. 00 30.28 C
ATOM 3950 CE LYS B 88 24.700 74.093 64.990 1. 00 46.41 C
ATOM 3951 NZ LYS B 88 23.247 74.046 65.317 1. 00 55.58 N
ATOM 3952 N CYS B 89 27.150 68.020 67.796 1. 00 19.44 N
ATOM 3953 CA CYS B 89 28.251 67.237 68.336 1. 00 19.21 C
ATOM 3954 C CYS B 89 28.368 65.869 67.629 1. 00 18.41 C
ATOM 3955 0 CYS B 89 29.445 65.476 67.178 1. 00 21. 21 0
ATOM 3956 CB CYS B 89 28.082 67.047 69.840 1. 00 20.81 C
ATOM 3957 SG CYS B 89 27.984 68.623 70.805 1. 00 23.32 S
ATOM 3958 N LEU B 90 27.255 65.153 67.544 1. 00 18.80 N
ATOM 3959 CA LEU B 90 27.206 63.893 66.795 1. 00 15.96 C

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Figure IA-73

Atom Type Residue # X Y Z Oee B Type

ATOM 3960 C LEU B 90 27.579 64.111 65.334 1. 00 15.64 C
ATOM 3961 0 LEU B 90 28.367 63.333 64.790 1. 00 19.03 0
ATOM 3962 CB LEU B 90 25.836 63.239 66.903 1. 00 19.80 C
ATOM 3963 CG LEU B 90 25.507 62.621 68.260 1. 00 16.76 C
ATOM 3964 CD1 LEU B 90 23.997 62.328 68.396 1. 00 22.09 C
ATOM 3965 CD2 LEU B 90 26.376 61.348 68.600 1. 00 13.60 C
ATOM 3966 N LYS B 91 27.043 65.171 64.713 1. 00 16.89 N
ATOM 3967 CA LYS B 91 27.349 65.466 63.316 1. 00 16.83 C
ATOM 3968 C LYS B 91 28.836 65.710 63.103 1. 00 19.97 C
ATOM 3969 0 LYS B 91 29.418 65.232 62.119 1. 00 23.12 0
ATOM 3970 CB LYS B 91 26.557 66.653 62.830 1. 00 17.71 C
ATOM 3971 CG LYS B 91 26.650 66.880 61.356 1. 00 21. 22 C
ATOM 3972 CD LYS B 91 26.040 68.195 61.023 1. 00 22.67 C
ATOM 3973 CE LYS B 91 26.231 68.485 59.529 1. 00 36.58 C
ATOM 3974 NZ LYS B 91 25.881 69.885 59.188 1. 00 44.18 N
ATOM 3975 N SER B 92 29.450 66.432 64.022 1. 00 19.00 N
ATOM 3976 CA SER B 92 30.847 66.818 63.843 1. 00 20.67 C
ATOM 3977 C SER B 92 31.851 65.719 64.165 1. 00 19.92 C
ATOM 3978 0 SER B 92 33.034 65.880 63.892 1. 00 23.20 0
ATOM 3979 CB SER B 92 31.169 68.126 64.594 1. 00 20.77 C
ATOM 3980 OG SER B 92 31.142 67.927 65.974 1. 00 23.82 0
ATOM 3981 N CYS B 93 31.396 64.593 64.716 1. 00 20.59 N
ATOM 3982 CA CYS B 93 32.295 63.478 64.946 1. 00 21.62 C
ATOM 3983 C CYS B 93 32.165 62.305 63.953 1. 00 20.44 C
ATOM 3984 0 CYS B 93 33.014 61.439 63.938 1. 00 22.11 0
ATOM 3985 CB BCYS B 93 32.274 63.005 66.398 0.35 23.01 C
ATOM 3986 CB ACYS B 93 32.125 62.981 66.388 0.65 23.30 C
ATOM 3987 SG BCYS B 93 30.805 62.158 66.885 0.35 29.25 S
ATOM 3988 SG ACYS B 93 32.648 64.201 67.677 0.65 30.09 S
ATOM 3989 N LYS B 94 31.121 62.289 63.133 1. 00 21.12 N
ATOM 3990 CA LYS B 94 30.895 61.242 62.130 1. 00 21.79 C
ATOM 3991 C LYS B 94 32.132 61.053 61.234 1. 00 24.47 C
ATOM 3992 0 LYS B 94 32.715 62.053 60.799 1. 00 24.28 0
ATOM 3993 CB LYS B 94 29.783 61.628 61.157 1. 00 22.93 C
ATOM 3994 CG LYS B 94 28.444 61.991 61.676 1. 00 23.21 C
ATOM 3995 CD LYS B 94 27.468 61.884 60.526 1. 00 21. 28 C
ATOM 3996 CE LYS B 94 27.500 63.115 59.636 1. 00 25.87 C
ATOM 3997 NZ LYS B 94 26.213 63.233 58.920 1. 00 25.63 N
ATOM 3998 N PRO B 95 32.470 59.786 60.883 1. 00 22.70 N
ATOM 3999 CA PRO B 95 31.753 58.541 61.183 1. 00 24.97 C
ATOM 4000 C PRO B 95 32.134 57.916 62.505 1. 00 23.01 C
ATOM 4001 0 PRO B 95 31.707 56.824 62.814 1. 00 32.44 0
ATOM 4002 CB PRO B 95 32.197 57.628 60.037 1. 00 25.46 C
ATOM 4003 CG PRO B 95 33.627 58.025 59.863 1. 00 24.23 C
ATOM 4004 CD PRO B 95 33.624 59.518 60.004 1. 00 22.78 C
ATOM 4005 N ARG B 96 32.951 58.596 63.282 1. 00 24.87 N
ATOM 4006 CA ARG B 96 33.238 58.147 64.612 1. 00 25.19 C
ATOM 4007 C ARG B 96 32.027 58.456 65.525 1. 00 24.80 C
ATOM 4008 0 ARG B 96 31.169 59.280 65.202 1. 00 29.92 0
ATOM 4009 CB ARG B 96 34.508 58.805 65.099 1. 00 25.23 C
ATOM 4010 CG ARG B 96 35.749 58.328 64.324 1. 00 31. 28 C
ATOM 4011 N TYR B 97 31.971 57.773 66.639 1. 00 20.69 N
ATOM 4012 CA TYR B 97 30.830 57.829 67.539 1. 00 22.64 C
ATOM 4013 C TYR B 97 31. 417 57.595 68.911 1. 00 24.36 C
ATOM 4014 0 TYR B 97 32.221 56.672 69.097 1. 00 24.17 0

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Figure IA-74

Atom Type Residue # X Y Z Oee B Type

ATOM 4015 CB TYR B 97 29.788 56.767 67.174 1. 00 19.39 C
ATOM 4016 CG TYR B 97 28.562 56.725 68.073 1. 00 22.88 C
ATOM 4017 CD1 TYR B 97 27.489 57.585 67.865 1. 00 27.66 C
ATOM 4018 CE1 TYR B 97 26.373 57.551 68.697 1. 00 23.22 C
ATOM 4019 CZ TYR B 97 26.299 56.608 69.708 1. 00 20.21 C
ATOM 4020 OH TYR B 97 25.203 56.572 70.531 1. 00 20.12 0
ATOM 4021 CE2 TYR B 97 27.346 55.750 69.940 1. 00 24.71 C
ATOM 4022 CD2 TYR B 97 28.470 55.802 69.108 1. 00 24.25 C
ATOM 4023 N PRO B 98 31.045 58.451 69.888 1. 00 24.59 N
ATOM 4024 CA PRO B 98 31.752 58.416 71 .163 1. 00 23.71 C
ATOM 4025 C PRO B 98 31. 314 57.232 72.049 1. 00 20.83 C
ATOM 4026 0 PRO B 98 30.266 56.642 71.804 1. 00 18.97 0
ATOM 4027 CB PRO B 98 31.339 59.746 71.803 1. 00 24.62 C
ATOM 4028 CG PRO B 98 29.947 59.933 71.338 1. 00 23.00 C
ATOM 4029 CD PRO B 98 29.971 59.455 69.885 1. 00 22.99 C
ATOM 4030 N PRO B 99 32.089 56.912 73.102 1. 00 21. 34 N
ATOM 4031 CA PRO B 99 31.651 55.962 74.121 1. 00 20.58 C
ATOM 4032 C PRO B 99 30.252 56.324 74.652 1. 00 19.72 C
ATOM 4033 0 PRO B 99 29.898 57.484 74.663 1. 00 20.66 0
ATOM 4034 CB PRO B 99 32.684 56.157 75.217 1. 00 25.06 C
ATOM 4035 CG PRO B 99 33.893 56.564 74.506 1. 00 23.24 C
ATOM 4036 CD PRO B 99 33.426 57.442 73.403 1. 00 22.91 C
ATOM 4037 N ASP B 100 29.471 55.350 75.081 1. 00 17.62 N
ATOM 4038 CA ASP B 100 28.130 55.626 75.621 1. 00 19.48 C
ATOM 4039 C ASP B 100 28.188 56.627 76.821 1. 00 19.99 C
ATOM 4040 0 ASP B 100 27.342 57.521 76.959 1. 00 20.78 0
ATOM 4041 CB ASP B 100 27.504 54.317 76.131 1. 00 21. 46 C
ATOM 4042 CG ASP B 100 27.147 53.333 75.026 1. 00 16.99 C
ATOM 4043 OD1 ASP B 100 27.224 53.652 73.834 1. 00 24.49 0
ATOM 4044 OD2 ASP B 100 26.842 52.176 75.388 1. 00 24.30 0
ATOM 4045 N SER B 101 29.182 56.450 77.688 1. 00 17.09 N
ATOM 4046 CA SER B 101 29.351 57.321 78.859 1. 00 19.91 C
ATOM 4047 C SER B 101 29.532 58.805 78.453 1. 00 16.21 C
ATOM 4048 0 SER B 101 29.079 59.716 79.123 1. 00 17.91 0
ATOM 4049 CB SER B 101 30.554 56.848 79.695 1. 00 21.07 C
ATOM 4050 OG SER B 101 31.789 57.009 79.005 1. 00 18.38 0
ATOM 4051 N VAL B 102 30.173 59.017 77.317 1. 00 18.29 N
ATOM 4052 CA VAL B 102 30.416 60.356 76.809 1. 00 13.90 C
ATOM 4053 C VAL B 102 29.121 60.933 76.285 1. 00 16.00 C
ATOM 4054 0 VAL B 102 28.807 62.080 76.591 1. 00 19.83 0
ATOM 4055 CB VAL B 102 31.562 60.371 75.723 1. 00 12.53 C
ATOM 4056 CG1 VAL B 102 31.654 61.727 75.048 1. 00 16.65 C
ATOM 4057 CG2 VAL B 102 32.925 59.951 76.315 1. 00 15.11 C
ATOM 4058 N ARG B 103 28.369 60.172 75.487 1. 00 14.46 N
ATOM 4059 CA ARG B 103 27.059 60.625 75.044 1. 00 12.88 C
ATOM 4060 C ARG B 103 26.090 60.927 76.202 1. 00 15.78 C
ATOM 4061 0 ARG B 103 25.330 61.885 76.169 1. 00 17.26 0
ATOM 4062 CB ARG B 103 26.392 59.652 74.080 1. 00 14.11 C
ATOM 4063 CG ARG B 103 25.261 60.335 73.314 1. 00 16.54 C
ATOM 4064 CD ARG B 103 24.715 59.569 72.133 1. 00 21.80 C
ATOM 4065 NE ARG B 103 23.506 60.199 71.582 1. 00 20.27 N
ATOM 4066 CZ ARG B 103 22.721 59.600 70.682 1. 00 18.30 C
ATOM 4067 NH1 ARG B 103 23.013 58.377 70.254 1. 00 24.92 N
ATOM 4068 NH2 ARG B 103 21.641 60.194 70.220 1. 00 26.19 N
ATOM 4069 N LEU B 104 26.145 60.084 77.218 1. 00 18.92 N

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Figure IA-75

Atom Type Residue # X Y Z Oee B Type

ATOM 4070 CA LEU B 104 25.304 60.229 78.353 1. 00 15.87 C
ATOM 4071 C LEU B 104 25.594 61.536 79.115 1. 00 15.54 C
ATOM 4072 0 LEU B 104 24.679 62.309 79.389 1. 00 16.38 0
ATOM 4073 CB LEU B 104 25.450 58.984 79.251 1. 00 16.21 C
ATOM 4074 CG LEU B 104 24.777 59.020 80.648 1. 00 12.02 C
ATOM 4075 CD1 LEU B 104 23.295 58.958 80.561 1. 00 15.21 C
ATOM 4076 CD2 LEU B 104 25.330 57.844 81.502 1. 00 20.15 C
ATOM 4077 N LEU B 105 26.853 61.763 79.436 1. 00 16.92 N
ATOM 4078 CA LEU B 105 27.269 62.979 80.162 1. 00 16.39 C
ATOM 4079 C LEU B 105 27.045 64.246 79.364 1. 00 15.86 C
ATOM 4080 0 LEU B 105 26.734 65.272 79.936 1. 00 24.05 0
ATOM 4081 CB LEU B 105 28.709 62.888 80.626 1. 00 18.22 C
ATOM 4082 CG LEU B 105 28.967 62.062 81.905 1. 00 22.04 C
ATOM 4083 CD1 LEU B 105 30.430 62.041 82.244 1. 00 20.49 C
ATOM 4084 CD2 LEU B 105 28.148 62.595 83.121 1. 00 24.61 C
ATOM 4085 N GLY B 106 27.237 64.161 78.044 1. 00 19.29 N
ATOM 4086 CA GLY B 106 26.793 65.189 77.113 1. 00 17.12 C
ATOM 4087 C GLY B 106 25.366 65.629 77.326 1. 00 17.97 C
ATOM 4088 0 GLY B 106 25.080 66.823 77.299 1. 00 18.82 0
ATOM 4089 N ARG B 107 24.472 64.676 77.553 1. 00 17.73 N
ATOM 4090 CA ARG B 107 23.083 64.985 77.867 1. 00 17.42 C
ATOM 4091 C ARG B 107 22.902 65.517 79.323 1. 00 18.47 C
ATOM 4092 0 ARG B 107 22.184 66.496 79.548 1. 00 20.15 0
ATOM 4093 CB ARG B 107 22.190 63.777 77.609 1. 00 12.80 C
ATOM 4094 CG ARG B 107 21.854 63.570 76.180 1. 00 13.04 C
ATOM 4095 CD ARG B 107 21.303 62.157 75.945 1. 00 22.30 C
ATOM 4096 NE ARG B 107 20.922 62.058 74.557 1. 00 14.04 N
ATOM 4097 CZ ARG B 107 19.760 61.647 74.089 1. 00 15.82 C
ATOM 4098 NH1 ARG B 107 18.814 61.143 74.922 1. 00 19.59 N
ATOM 4099 NH2 ARG B 107 19.570 61.725 72.771 1. 00 15.98 N
ATOM 4100 N VAL B 108 23.573 64.881 80.284 1. 00 21.96 N
ATOM 4101 CA VAL B 108 23.545 65.304 81.694 1. 00 19.38 C
ATOM 4102 C VAL B 108 23.878 66.807 81.913 1. 00 20.53 C
ATOM 4103 0 VAL B 108 23.177 67.482 82.656 1. 00 20.98 0
ATOM 4104 CB VAL B 108 24.515 64.435 82.535 1. 00 20.61 C
ATOM 4105 CG1 VAL B 108 24.728 65.011 83.927 1. 00 20.50 C
ATOM 4106 CG2 VAL B 108 23.998 62.994 82.633 1. 00 21.52 C
ATOM 4107 N VAL B 109 24.950 67.290 81.284 1. 00 17.91 N
ATOM 4108 CA VAL B 109 25.486 68.614 81.574 1. 00 23.64 C
ATOM 4109 C VAL B 109 24.458 69.727 81.334 1. 00 24.82 C
ATOM 4110 0 VAL B 109 24.398 70.673 82.108 1. 00 29.59 0
ATOM 4111 CB VAL B 109 26.833 68.937 80.867 1. 00 23.55 C
ATOM 4112 CG1 VAL B 109 27.935 67.936 81.280 1. 00 31. 28 C
ATOM 4113 CG2 VAL B 109 26.695 69.011 79.370 1. 00 22.36 C
ATOM 4114 N PHE B 110 23.636 69.588 80.296 1. 00 22.73 N
ATOM 4115 CA PHE B 110 22.631 70.592 79.980 1. 00 21.93 C
ATOM 4116 C PHE B 110 21. 412 70.363 80.839 1. 00 22.88 C
ATOM 4117 0 PHE B 110 20.720 71.302 81.193 1. 00 24.26 0
ATOM 4118 CB PHE B 110 22.306 70.610 78.489 1. 00 20.73 C
ATOM 4119 CG PHE B 110 23.479 70.945 77.642 1. 00 25.24 C
ATOM 4120 CD1 PHE B 110 24.079 72.196 77.724 1. 00 24.46 C
ATOM 4121 CE1 PHE B 110 25.190 72.497 76.951 1. 00 24.82 C
ATOM 4122 CZ PHE B 110 25.687 71.577 76.086 1. 00 25.54 C
ATOM 4123 CE2 PHE B 110 25.087 70.325 75.991 1. 00 23.32 C
ATOM 4124 CD2 PHE B 110 23.998 70.018 76.749 1. 00 26.33 C

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Figure IA-76

Atom Type Residue # X Y Z Oee B Type

ATOM 4125 N LYS B 111 21.199 69.105 81.239 1. 00 21.93 N
ATOM 4126 CA LYS B 111 20.101 68.778 82.109 1. 00 21. 22 C
ATOM 4127 C LYS B 111 20.294 69.393 83.491 1. 00 21.69 C
ATOM 4128 0 LYS B 111 19.340 69.839 84.118 1. 00 26.61 0
ATOM 4129 CB LYS B 111 19.919 67.230 82.182 1. 00 23.64 C
ATOM 4130 CG LYS B 111 18.723 66.807 82.947 1. 00 28.58 C
ATOM 4131 CD LYS B 111 17.478 66.753 82.085 1. 00 42.33 C
ATOM 4132 CE LYS B 111 16.306 66.224 82.919 1. 00 48.27 C
ATOM 4133 NZ LYS B 111 15.180 65.708 82.084 1. 00 47.68 N
ATOM 4134 N LEU B 112 21.534 69.460 83.951 1. 00 23.77 N
ATOM 4135 CA LEU B 112 21.854 70.069 85.251 1. 00 24.17 C
ATOM 4136 C LEU B 112 21.616 71.598 85.306 1. 00 24.37 C
ATOM 4137 0 LEU B 112 21.526 72.179 86.392 1. 00 24.36 0
ATOM 4138 CB LEU B 112 23.305 69.772 85.619 1. 00 24.57 C
ATOM 4139 CG LEU B 112 23.680 68.291 85.777 1. 00 23.08 C
ATOM 4140 CD1 LEU B 112 25.189 68.182 85.905 1. 00 19.71 C
ATOM 4141 CD2 LEU B 112 22.911 67.636 86.947 1. 00 18.99 C
ATOM 4142 N MET B 113 21.560 72.237 84.150 1. 00 24.09 N
ATOM 4143 CA MET B 113 21.313 73.686 84.083 1. 00 27.66 C
ATOM 4144 C MET B 113 19.815 74.024 84.138 1. 00 32.75 C
ATOM 4145 0 MET B 113 19.432 75.188 84.272 1. 00 35.11 0
ATOM 4146 CB MET B 113 21.946 74.275 82.840 1. 00 25.69 C
ATOM 4147 CG MET B 113 23.458 74.169 82.790 1. 00 30.42 C
ATOM 4148 SD MET B 113 24.042 74.675 81.159 1. 00 34.42 S
ATOM 4149 CE MET B 113 25.572 73.818 80.964 1. 00 34.74 C
ATOM 4150 N ASP B 114 18.967 73.003 84.047 1. 00 31.79 N
ATOM 4151 CA ASP B 114 17.538 73.201 84.126 1. 00 35.05 C
ATOM 4152 C ASP B 114 17.141 73.633 85.541 1. 00 36.27 C
ATOM 4153 0 ASP B 114 17.446 72.948 86.519 1. 00 35.57 0
ATOM 4154 CB ASP B 114 16.788 71.934 83.673 1. 00 33.83 C
ATOM 4155 N GLY B 115 16.475 74.784 85.635 1. 00 39.99 N
ATOM 4156 CA GLY B 115 15.998 75.328 86.916 1. 00 45.15 C
ATOM 4157 C GLY B 115 14.859 74.567 87.591 1. 00 49.17 C
ATOM 4158 0 GLY B 115 14.740 74.583 88.825 1. 00 50.54 0
ATOM 4159 N ALA B 116 14.007 73.919 86.794 1. 00 50.93 N
ATOM 4160 CA ALA B 116 12.948 73.060 87.338 1. 00 52.74 C
ATOM 4161 C ALA B 116 13.574 71.773 87.893 1. 00 53.36 C
ATOM 4162 0 ALA B 116 14.394 71 .149 87.216 1. 00 52.84 0
ATOM 4163 CB ALA B 116 11.913 72.741 86.264 1. 00 52.91 C
ATOM 4164 N PRO B 117 13.219 71.389 89.140 1. 00 53.85 N
ATOM 4165 CA PRO B 117 13.808 70.180 89.746 1. 00 52.16 C
ATOM 4166 C PRO B 117 13.466 68.914 88.953 1. 00 48.84 C
ATOM 4167 0 PRO B 117 12.369 68.819 88.389 1. 00 49.51 0
ATOM 4168 CB PRO B 117 13 .163 70.132 91 .140 1. 00 52.91 C
ATOM 4169 CG PRO B 117 12.709 71.536 91.404 1. 00 55.23 C
ATOM 4170 CD PRO B 117 12.273 72.051 90.061 1. 00 55.00 C
ATOM 4171 N SER B 118 14.405 67.969 88.893 1. 00 43.48 N
ATOM 4172 CA SER B 118 14.157 66.700 88.217 1. 00 37.81 C
ATOM 4173 C SER B 118 13 .529 65.704 89.184 1. 00 32.35 C
ATOM 4174 0 SER B 118 14.107 65.399 90.228 1. 00 30.77 0
ATOM 4175 CB SER B 118 15.449 66.109 87.626 1. 00 37.65 C
ATOM 4176 OG SER B 118 15.159 64.930 86.854 1. 00 40.05 0
ATOM 4177 N GLU B 119 12.372 65.175 88.814 1. 00 30.89 N
ATOM 4178 CA GLU B 119 11.704 64.145 89.628 1. 00 30.50 C
ATOM 4179 C GLU B 119 12.654 62.987 89.932 1. 00 26.02 C

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Figure IA-77

Atom Type Residue # X Y Z Oee B Type

ATOM 4180 0 GLU B 119 12.592 62.391 90.993 1. 00 27.65 0
ATOM 4181 CB GLU B 119 10.413 63.664 88.958 1. 00 29.11 C
ATOM 4182 N SER B 120 13.586 62.727 89.020 1. 00 28.91 N
ATOM 4183 CA SER B 120 14.580 61.648 89.173 1. 00 25.32 C
ATOM 4184 C SER B 120 15.583 61.902 90.303 1. 00 25.58 C
ATOM 4185 0 SER B 120 16.292 60.986 90.732 1. 00 24.78 0
ATOM 4186 CB SER B 120 15.345 61.447 87.849 1. 00 25.29 C
ATOM 4187 OG SER B 120 16.405 62.382 87.740 1. 00 23.29 0
ATOM 4188 N GLU B 121 15.676 63.155 90.743 1. 00 25.83 N
ATOM 4189 CA GLU B 121 16.622 63.542 91.792 1. 00 25.53 C
ATOM 4190 C GLU B 121 15.922 63.892 93.100 1. 00 26.61 C
ATOM 4191 0 GLU B 121 16.530 64.501 93.975 1. 00 27.69 0
ATOM 4192 CB GLU B 121 17.495 64.725 91.372 1. 00 25.11 C
ATOM 4193 CG GLU B 121 18.466 64.402 90.224 1. 00 21.87 C
ATOM 4194 CD GLU B 121 19.198 65.616 89.748 1. 00 20.69 C
ATOM 4195 OE1 GLU B 121 18.545 66.506 89.131 1. 00 25.73 0
ATOM 4196 OE2 GLU B 121 20.417 65.680 89.978 1. 00 28.88 0
ATOM 4197 N LYS B 122 14.655 63.512 93.202 1. 00 27.95 N
ATOM 4198 CA LYS B 122 13.841 63.726 94.401 1. 00 32.09 C
ATOM 4199 C LYS B 122 14.500 63.262 95.699 1. 00 31.71 C
ATOM 4200 0 LYS B 122 14.483 63.996 96.689 1. 00 34.16 0
ATOM 4201 CB LYS B 122 12.444 63.109 94.226 1. 00 33.36 C
ATOM 4202 CG LYS B 122 11.650 63.003 95.526 1. 00 42.99 C
ATOM 4203 CD LYS B 122 10.150 63.000 95.308 1. 00 54.67 C
ATOM 4204 CE LYS B 122 9.435 63.230 96.641 1. 00 58.56 C
ATOM 4205 NZ LYS B 122 7.976 63.485 96.471 1. 00 64.46 N
ATOM 4206 N LEU B 123 15.102 62.074 95.700 1. 00 30.22 N
ATOM 4207 CA LEU B 123 15.772 61.561 96.895 1. 00 29.77 C
ATOM 4208 C LEU B 123 17.278 61.823 96.974 1. 00 30.65 C
ATOM 4209 0 LEU B 123 17.861 61.811 98.060 1. 00 28.14 0
ATOM 4210 CB LEU B 123 15.515 60.050 97.032 1. 00 31.52 C
ATOM 4211 CG LEU B 123 14.062 59.562 97.005 1. 00 36.38 C
ATOM 4212 CD1 LEU B 123 14.038 58.040 97.175 1. 00 35.75 C
ATOM 4213 CD2 LEU B 123 13.211 60.237 98.084 1. 00 39.54 C
ATOM 4214 N TYR B 124 17.907 62.044 95.817 1. 00 29.33 N
ATOM 4215 CA TYR B 124 19.353 62.077 95.700 1. 00 27.94 C
ATOM 4216 C TYR B 124 19.663 62.651 94.336 1. 00 25.67 C
ATOM 4217 0 TYR B 124 18.996 62.309 93.371 1. 00 28.64 0
ATOM 4218 CB TYR B 124 19.881 60.655 95.754 1. 00 26.73 C
ATOM 4219 CG TYR B 124 21.216 60.401 96.388 1. 00 22.14 C
ATOM 4220 CD1 TYR B 124 21.530 60.886 97.658 1. 00 29.49 C
ATOM 4221 CE1 TYR B 124 22.770 60.591 98.247 1. 00 22.80 C
ATOM 4222 CZ TYR B 124 23.668 59.781 97.586 1. 00 25.26 C
ATOM 4223 OH TYR B 124 24.850 59.469 98.176 1. 00 27.01 0
ATOM 4224 CE2 TYR B 124 23.378 59.278 96.318 1. 00 17.88 C
ATOM 4225 CD2 TYR B 124 22.148 59.586 95.749 1. 00 19.18 C
ATOM 4226 N SER B 125 20.676 63.509 94.260 1. 00 25.69 N
ATOM 4227 CA SER B 125 20.941 64.257 93.028 1. 00 25.08 C
ATOM 4228 C SER B 125 22.196 63.771 92.323 1. 00 19.47 C
ATOM 4229 0 SER B 125 22.952 62.982 92.872 1. 00 20.02 0
ATOM 4230 CB SER B 125 21.080 65.744 93.328 1. 00 22.71 C
ATOM 4231 OG SER B 125 22.362 66.016 93.855 1. 00 21.05 0
ATOM 4232 N PHE B 126 22.422 64.288 91.110 1. 00 21.01 N
ATOM 4233 CA PHE B 126 23.639 63.971 90.402 1. 00 20.50 C
ATOM 4234 C PHE B 126 24.853 64.325 91.237 1. 00 20.93 C

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Figure IA-78

Atom Type Residue # X Y Z Oee B Type

ATOM 4235 0 PHE B 126 25.835 63.620 91.230 1. 00 23.00 0
ATOM 4236 CB PHE B 126 23.723 64.695 89.062 1. 00 19.40 C
ATOM 4237 CG PHE B 126 25.042 64.558 88.422 1. 00 19.13 C
ATOM 4238 CD1 PHE B 126 25.296 63.508 87.555 1. 00 25.03 C
ATOM 4239 CE1 PHE B 126 26.546 63.379 86.953 1. 00 22.68 C
ATOM 4240 CZ PHE B 126 27.536 64.277 87.226 1. 00 20.15 C
ATOM 4241 CE2 PHE B 126 27.316 65.321 88.109 1. 00 20.66 C
ATOM 4242 CD2 PHE B 126 26.064 65.474 88.691 1. 00 21. 36 C
ATOM 4243 N TYR B 127 24.777 65.440 91.957 1. 00 22.91 N
ATOM 4244 CA TYR B 127 25.898 65.904 92.731 1. 00 20.83 C
ATOM 4245 C TYR B 127 26.096 65.101 94.010 1. 00 22.71 C
ATOM 4246 0 TYR B 127 27.220 64.985 94.494 1. 00 24.30 0
ATOM 4247 CB TYR B 127 25.756 67.408 93.019 1. 00 20.85 C
ATOM 4248 CG TYR B 127 25.829 68.274 91.783 1. 00 19.71 C
ATOM 4249 CD1 TYR B 127 27.057 68.621 91.220 1. 00 26.51 C
ATOM 4250 CE1 TYR B 127 27.122 69.440 90.071 1. 00 23.73 C
ATOM 4251 CZ TYR B 127 25.949 69.922 89.498 1. 00 18.86 C
ATOM 4252 OH TYR B 127 26.047 70.727 88.366 1. 00 26.12 0
ATOM 4253 CE2 TYR B 127 24.722 69.596 90.042 1. 00 28.25 C
ATOM 4254 CD2 TYR B 127 24.668 68.783 91.203 1. 00 21. 44 C
ATOM 4255 N ASP B 128 25.026 64.513 94.523 1. 00 24.42 N
ATOM 4256 CA ASP B 128 25.128 63.557 95.635 1. 00 22.48 C
ATOM 4257 C ASP B 128 25.850 62.248 95.275 1. 00 24.11 C
ATOM 4258 0 ASP B 128 26.437 61.632 96 .141 1. 00 26.27 0
ATOM 4259 CB ASP B 128 23.752 63.240 96 .203 1. 00 21. 40 C
ATOM 4260 CG ASP B 128 23.112 64.413 96.876 1. 00 24.87 C
ATOM 4261 OD1 ASP B 128 23.826 65.244 97.478 1. 00 39.87 0
ATOM 4262 OD2 ASP B 128 21.881 64.532 96.779 1. 00 27.46 0
ATOM 4263 N LEU B 129 25.870 61.858 93.998 1. 00 24.28 N
ATOM 4264 CA LEU B 129 26.353 60.515 93.607 1. 00 22.93 C
ATOM 4265 C LEU B 129 27.783 60.213 94.024 1. 00 23.26 C
ATOM 4266 0 LEU B 129 28.677 61.052 93.874 1. 00 24.26 0
ATOM 4267 CB LEU B 129 26.171 60.257 92.077 1. 00 23.38 C
ATOM 4268 CG LEU B 129 24.758 60.310 91.500 1. 00 21.53 C
ATOM 4269 CD1 LEU B 129 24.785 60.225 89.953 1. 00 23.39 C
ATOM 4270 CD2 LEU B 129 23.848 59.232 92.092 1. 00 23.06 C
ATOM 4271 N GLU B 130 27.989 58.987 94.518 1. 00 26.57 N
ATOM 4272 CA GLU B 130 29.310 58.474 94.902 1. 00 26.68 C
ATOM 4273 C GLU B 130 30.241 58.346 93.721 1. 00 27.20 C
ATOM 4274 0 GLU B 130 29.875 57.757 92.725 1. 00 28.70 0
ATOM 4275 CB GLU B 130 29.178 57.109 95.588 1. 00 30.26 C
ATOM 4276 CG GLU B 130 30.513 56.546 96.048 1. 00 37.46 C
ATOM 4277 CD GLU B 130 31.148 57.411 97.118 1. 00 37.22 C
ATOM 4278 OE1 GLU B 130 30.597 57.408 98.237 1. 00 51. 30 0
ATOM 4279 OE2 GLU B 130 32.179 58.090 96.847 1. 00 36.66 0
ATOM 4280 N SER B 131 31.451 58.890 93.844 1. 00 26.08 N
ATOM 4281 CA SER B 131 32.465 58.825 92.800 1. 00 24.76 C
ATOM 4282 C SER B 131 33.598 57.824 93.096 1. 00 27.07 C
ATOM 4283 0 SER B 131 34.338 57.420 92.198 1. 00 27.46 0
ATOM 4284 CB SER B 131 33.019 60.243 92.535 1. 00 27.40 C
ATOM 4285 OG SER B 131 33.629 60.777 93.714 1. 00 33.83 0
ATOM 4286 N ASN B 132 33.713 57.397 94.353 1. 00 28.72 N
ATOM 4287 CA ASN B 132 34.828 56.575 94.811 1. 00 32.84 C
ATOM 4288 C ASN B 132 36.204 57.030 94.356 1. 00 32.05 C
ATOM 4289 0 ASN B 132 37.096 56.190 94.196 1. 00 33.09 0

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Figure IA-79

Atom Type Residue # X Y Z Oee B Type

ATOM 4290 CB ASN B 132 34.623 55.099 94.414 1. 00 32.95 C
ATOM 4291 CG ASN B 132 33.482 54.455 95.165 1. 00 33.54 C
ATOM 4292 OD1 ASN B 132 32.661 53.735 94.585 1. 00 39.42 0
ATOM 4293 ND2 ASN B 132 33.401 54.732 96.458 1. 00 37.07 N
ATOM 4294 N ILE B 133 36.366 58.338 94.145 1. 00 31.69 N
ATOM 4295 CA ILE B 133 37.596 58.901 93.594 1. 00 34.88 C
ATOM 4296 C ILE B 133 38.811 58.505 94.420 1. 00 35.36 C
ATOM 4297 0 ILE B 133 39.849 58.164 93.861 1. 00 34.19 0
ATOM 4298 CB ILE B 133 37.529 60.447 93.452 1. 00 36.19 C
ATOM 4299 CG1 ILE B 133 36.650 60.832 92.255 1. 00 38.63 C
ATOM 4300 CD1 ILE B 133 36.478 62.339 92.071 1. 00 40.83 C
ATOM 4301 CG2 ILE B 133 38.941 61.061 93.272 1. 00 36.65 C
ATOM 4302 N ASN B 134 38.668 58.532 95.747 1. 00 38.29 N
ATOM 4303 CA ASN B 134 39.774 58.169 96.637 1. 00 42.08 C
ATOM 4304 C ASN B 134 40.031 56.657 96.729 1. 00 43.11 C
ATOM 4305 0 ASN B 134 40.908 56.222 97.478 1. 00 44.85 0
ATOM 4306 CB ASN B 134 39.581 58.786 98.031 1. 00 43.25 C
ATOM 4307 N LYS B 135 39.276 55.863 95.964 1. 00 41.18 N
ATOM 4308 CA LYS B 135 39.467 54.398 95.920 1. 00 38.80 C
ATOM 4309 C LYS B 135 39.909 53.900 94.549 1. 00 35.13 C
ATOM 4310 0 LYS B 135 40.330 52.755 94.407 1. 00 35.42 0
ATOM 4311 CB LYS B 135 38.193 53.658 96.350 1. 00 39.03 C
ATOM 4312 CG LYS B 135 37.808 53.893 97.801 1. 00 41.78 C
ATOM 4313 CD LYS B 135 36.626 53.041 98.227 1. 00 41. 39 C
ATOM 4314 CE LYS B 135 36.053 53.578 99.529 1. 00 50.35 C
ATOM 4315 NZ LYS B 135 35.195 52.579 100.222 1. 00 51. 36 N
ATOM 4316 N LEU B 136 39.819 54.751 93.535 1. 00 34.30 N
ATOM 4317 CA LEU B 136 40.130 54.313 92.175 1. 00 33.03 C
ATOM 4318 C LEU B 136 41.583 53.892 92.006 1. 00 33.81 C
ATOM 4319 0 LEU B 136 42.498 54.549 92.507 1. 00 34.54 0
ATOM 4320 CB LEU B 136 39.785 55.399 91 .151 1. 00 32.90 C
ATOM 4321 CG LEU B 136 38.346 55.901 91 .158 1. 00 30.04 C
ATOM 4322 CD1 LEU B 136 38.210 57.111 90.237 1. 00 33.93 C
ATOM 4323 CD2 LEU B 136 37.358 54.803 90.791 1. 00 31.15 C
ATOM 4324 N THR B 137 41.792 52.805 91.277 1. 00 34.93 N
ATOM 4325 CA THR B 137 43.134 52.411 90.869 1. 00 37.02 C
ATOM 4326 C THR B 137 43.690 53.453 89.910 1. 00 36.89 C
ATOM 4327 0 THR B 137 42.936 54.230 89.336 1. 00 36.42 0
ATOM 4328 CB THR B 137 43.165 51.009 90.203 1. 00 36.24 C
ATOM 4329 OG1 THR B 137 42.468 51.041 88.950 1. 00 39.01 0
ATOM 4330 CG2 THR B 137 42.544 49.959 91.115 1. 00 42.88 C
ATOM 4331 N GLU B 138 45.010 53.470 89.748 1. 00 37.83 N
ATOM 4332 CA GLU B 138 45.666 54.375 88.811 1. 00 36.28 C
ATOM 4333 C GLU B 138 45.252 54.086 87.373 1. 00 35.60 C
ATOM 4334 0 GLU B 138 45.064 55.016 86.579 1. 00 36.50 0
ATOM 4335 CB GLU B 138 47.191 54.289 88.961 1. 00 38.67 C
ATOM 4336 N ASP B 139 45.115 52.799 87.042 1. 00 35.99 N
ATOM 4337 CA ASP B 139 44.671 52.355 85.711 1. 00 35.51 C
ATOM 4338 C ASP B 139 43.283 52.891 85.354 1. 00 33.12 C
ATOM 4339 0 ASP B 139 43.048 53.356 84.234 1. 00 33.96 0
ATOM 4340 CB ASP B 139 44.670 50.825 85.625 1. 00 37.23 C
ATOM 4341 N LYS B 140 42.380 52.830 86.324 1. 00 32.91 N
ATOM 4342 CA LYS B 140 41.044 53.367 86.168 1. 00 33.94 C
ATOM 4343 C LYS B 140 41.084 54.893 86.057 1. 00 32.77 C
ATOM 4344 0 LYS B 140 40.330 55.467 85.294 1. 00 34.59 0

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Figure lA-80

Atom Type Residue # X Y Z Oee B Type

ATOM 4345 CB LYS B 140 40.132 52.897 87.298 1. 00 33.73 C
ATOM 4346 CG LYS B 140 38.639 52.984 86.974 1. 00 43.73 C
ATOM 4347 CD LYS B 140 38.276 52.142 85.737 1. 00 54.29 C
ATOM 4348 CE LYS B 140 36.768 51.984 85.568 1. 00 58.70 C
ATOM 4349 NZ LYS B 140 36.208 50.877 86.402 1. 00 63.16 N
ATOM 4350 N LYS B 141 41.986 55.545 86.785 1. 00 32.63 N
ATOM 4351 CA LYS B 141 42.145 56.999 86.650 1. 00 35.23 C
ATOM 4352 C LYS B 141 42.661 57.434 85.273 1. 00 33.62 C
ATOM 4353 0 LYS B 141 42.269 58.491 84.765 1. 00 35.57 0
ATOM 4354 CB LYS B 141 43.002 57.572 87.784 1. 00 36.27 C
ATOM 4355 CG LYS B 141 42.246 57.665 89.118 1. 00 36.63 C
ATOM 4356 CD LYS B 141 43.098 58.285 90.236 1. 00 40.93 C
ATOM 4357 CE LYS B 141 44.265 57.378 90.631 1. 00 53.42 C
ATOM 4358 NZ LYS B 141 45.188 58.026 91.614 1. 00 60.86 N
ATOM 4359 N GLU B 142 43.513 56.611 84.672 1. 00 31.96 N
ATOM 4360 CA GLU B 142 44.042 56.860 83.341 1. 00 32.40 C
ATOM 4361 C GLU B 142 42.952 56.741 82.270 1. 00 31. 21 C
ATOM 4362 0 GLU B 142 42.942 57.514 81.328 1. 00 33.03 0
ATOM 4363 CB GLU B 142 45.202 55.910 83.023 1. 00 33.75 C
ATOM 4364 N GLY B 143 42.050 55.777 82.435 1. 00 28.45 N
ATOM 4365 CA GLY B 143 40.897 55.625 81.552 1. 00 28.04 C
ATOM 4366 C GLY B 143 39.946 56.817 81.631 1. 00 25.97 C
ATOM 4367 0 GLY B 143 39.379 57.209 80.628 1. 00 27.25 0
ATOM 4368 N LEU B 144 39.742 57.355 82.835 1. 00 26.49 N
ATOM 4369 CA LEU B 144 38.868 58.514 83.011 1. 00 27.87 C
ATOM 4370 C LEU B 144 39.466 59.769 82.418 1. 00 29.85 C
ATOM 4371 0 LEU B 144 38.738 60.613 81.897 1. 00 30.50 0
ATOM 4372 CB LEU B 144 38.513 58.738 84.481 1. 00 29.36 C
ATOM 4373 CG LEU B 144 37.869 57.563 85.193 1. 00 28.68 C
ATOM 4374 CD1 LEU B 144 37.625 57.948 86.649 1. 00 36.20 C
ATOM 4375 CD2 LEU B 144 36.583 57.116 84.501 1. 00 32.78 C
ATOM 4376 N ARG B 145 40.789 59.902 82.497 1. 00 29.95 N
ATOM 4377 CA ARG B 145 41. 452 61.040 81.894 1. 00 30.59 C
ATOM 4378 C ARG B 145 41.239 61.015 80.375 1. 00 30.94 C
ATOM 4379 0 ARG B 145 41.062 62.058 79.754 1. 00 32.20 0
ATOM 4380 CB ARG B 145 42.944 61.062 82.244 1. 00 31.59 C
ATOM 4381 CG ARG B 145 43.248 61.487 83.669 1. 00 31.07 C
ATOM 4382 N GLN B 146 41. 252 59.819 79.797 1. 00 30.92 N
ATOM 4383 CA GLN B 146 41.096 59.645 78.366 1. 00 29.45 C
ATOM 4384 C GLN B 146 39.645 59.897 77.968 1. 00 28.89 C
ATOM 4385 0 GLN B 146 39.405 60.460 76.901 1. 00 31. 23 0
ATOM 4386 CB GLN B 146 41.508 58.246 77.924 1. 00 31.98 C
ATOM 4387 CG GLN B 146 42.929 57.810 78.297 1. 00 42.73 C
ATOM 4388 CD GLN B 146 44.018 58.675 77.678 1. 00 56.47 C
ATOM 4389 OE1 GLN B 146 43.861 59.216 76.579 1. 00 59.09 0
ATOM 4390 NE2 GLN B 146 45.139 58.802 78.385 1. 00 63.40 N
ATOM 4391 N LEU B 147 38.699 59.475 78.818 1. 00 25.12 N
ATOM 4392 CA LEU B 147 37.261 59.779 78.617 1. 00 23.08 C
ATOM 4393 C LEU B 147 36.968 61.284 78.683 1. 00 24.43 C
ATOM 4394 0 LEU B 147 36.223 61.813 77.861 1. 00 25.90 0
ATOM 4395 CB LEU B 147 36.388 59.039 79.616 1. 00 25.00 C
ATOM 4396 CG LEU B 147 36.084 57.576 79.290 1. 00 24.39 C
ATOM 4397 CD1 LEU B 147 35.602 56.848 80.498 1. 00 21.76 C
ATOM 4398 CD2 LEU B 147 35.086 57.457 78.117 1. 00 27.81 C
ATOM 4399 N VAL B 148 37.570 61.964 79.659 1. 00 23.46 N

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Figure lA-81

Atom Type Residue # X Y Z Oee B Type

ATOM 4400 CA VAL B 148 37.534 63.425 79.740 1. 00 23.54 C
ATOM 4401 C VAL B 148 37.940 64.118 78.425 1. 00 25.40 C
ATOM 4402 0 VAL B 148 37.215 64.994 77.923 1. 00 27.91 0
ATOM 4403 CB VAL B 148 38.379 63.930 80.927 1. 00 25.43 C
ATOM 4404 CG1 VAL B 148 38.497 65.477 80.891 1. 00 24.11 C
ATOM 4405 CG2 VAL B 148 37.778 63.446 82.254 1. 00 20.33 C
ATOM 4406 N MET B 149 39.091 63.727 77.881 1. 00 26.36 N
ATOM 4407 CA MET B 149 39.560 64.216 76.585 1. 00 31.70 C
ATOM 4408 C MET B 149 38.613 63.937 75.432 1. 00 24.79 C
ATOM 4409 0 MET B 149 38.427 64.784 74.576 1. 00 23.62 0
ATOM 4410 CB MET B 149 40.926 63.643 76.253 1. 00 29.36 C
ATOM 4411 CG MET B 149 42.061 64.263 77.061 1. 00 43.77 C
ATOM 4412 SD MET B 149 43.643 63.538 76.569 1. 00 49.33 S
ATOM 4413 CE MET B 149 43.762 64.094 74.860 1. 00 52.84 C
ATOM 4414 N THR B 150 38.041 62.733 75.403 1. 00 22.51 N
ATOM 4415 CA THR B 150 37.069 62.361 74.376 1. 00 22.84 C
ATOM 4416 C THR B 150 35.851 63.267 74.507 1. 00 22.64 C
ATOM 4417 0 THR B 150 35.333 63.767 73.503 1. 00 23.22 0
ATOM 4418 CB THR B 150 36.748 60.851 74.492 1. 00 23.71 C
ATOM 4419 OG1 THR B 150 37.941 60.129 74.174 1. 00 29.28 0
ATOM 4420 CG2 THR B 150 35.620 60.384 73.564 1. 00 18.11 C
ATOM 4421 N PHE B 151 35.402 63.481 75.746 1. 00 23.16 N
ATOM 4422 CA PHE B 151 34.268 64.366 76.001 1. 00 21.14 C
ATOM 4423 C PHE B 151 34.576 65.800 75.483 1. 00 19.13 C
ATOM 4424 0 PHE B 151 33.774 66.394 74.808 1. 00 19.26 0
ATOM 4425 CB PHE B 151 33.878 64.325 77.479 1. 00 19.11 C
ATOM 4426 CG PHE B 151 32.739 65.254 77.847 1. 00 21.12 C
ATOM 4427 CD1 PHE B 151 31.431 64.776 77.967 1. 00 19.80 C
ATOM 4428 CE1 PHE B 151 30.373 65.645 78.294 1. 00 19.46 C
ATOM 4429 CZ PHE B 151 30.623 67.013 78.537 1. 00 19.35 C
ATOM 4430 CE2 PHE B 151 31.920 67.494 78.436 1. 00 23.42 C
ATOM 4431 CD2 PHE B 151 32.980 66.602 78.105 1. 00 19.74 C
ATOM 4432 N GLN B 152 35.766 66.313 75.754 1. 00 20.05 N
ATOM 4433 CA GLN B 152 36.107 67.691 75.364 1. 00 23.19 C
ATOM 4434 C GLN B 152 36.064 67.865 73.832 1. 00 22.53 C
ATOM 4435 0 GLN B 152 35.504 68.830 73.315 1. 00 21.10 0
ATOM 4436 CB GLN B 152 37.466 68.070 75.948 1. 00 23.47 C
ATOM 4437 CG GLN B 152 37.429 68.295 77.442 1. 00 24.76 C
ATOM 4438 CD GLN B 152 38.828 68.301 78.062 1. 00 23.89 C
ATOM 4439 OE1 GLN B 152 39.747 67.704 77.536 1. 00 32.74 0
ATOM 4440 NE2 GLN B 152 38.978 68.997 79.158 1. 00 26.35 N
ATOM 4441 N HIS B 153 36.600 66.881 73.115 1. 00 28.40 N
ATOM 4442 CA HIS B 153 36.530 66.854 71.653 1. 00 24.41 C
ATOM 4443 C HIS B 153 35.090 66.698 71.159 1. 00 23.03 C
ATOM 4444 0 HIS B 153 34.632 67.487 70.340 1. 00 24.30 0
ATOM 4445 CB HIS B 153 37.421 65.741 71.106 1. 00 25.86 C
ATOM 4446 CG HIS B 153 37.321 65.570 69.628 1. 00 30.93 C
ATOM 4447 ND1 HIS B 153 38.012 66.364 68.740 1. 00 33.65 N
ATOM 4448 CE1 HIS B 153 37.716 65.999 67.507 1. 00 35.68 C
ATOM 4449 NE2 HIS B 153 36.848 65.004 67.563 1. 00 43.04 N
ATOM 4450 CD2 HIS B 153 36.577 64.724 68.879 1. 00 33.14 C
ATOM 4451 N PHE B 154 34.367 65.709 71.683 1. 00 22.18 N
ATOM 4452 CA PHE B 154 32.953 65.481 71.316 1. 00 22.37 C
ATOM 4453 C PHE B 154 32.040 66.733 71.413 1. 00 19.76 C
ATOM 4454 0 PHE B 154 31.243 67.022 70.503 1. 00 19.07 0

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Figure IA-82

Atom Type Residue # X Y Z Oee B Type

ATOM 4455 CB PHE B 154 32.364 64.326 72.155 1. 00 20.31 C
ATOM 4456 CG PHE B 154 30.896 64.061 71.885 1. 00 16.05 C
ATOM 4457 CD1 PHE B 154 30.463 63.733 70.589 1. 00 22.08 C
ATOM 4458 CE1 PHE B 154 29.137 63.460 70.339 1. 00 20.89 C
ATOM 4459 CZ PHE B 154 28.209 63.534 71.404 1. 00 23.60 C
ATOM 4460 CE2 PHE B 154 28.638 63.839 72.691 1. 00 19.76 C
ATOM 4461 CD2 PHE B 154 29.969 64.105 72.919 1. 00 18.27 C
ATOM 4462 N MET B 155 32.144 67.445 72.532 1. 00 21.04 N
ATOM 4463 CA MET B 155 31.289 68.587 72.825 1. 00 22.30 C
ATOM 4464 C MET B 155 31.750 69.914 72.204 1. 00 19.46 C
ATOM 4465 0 MET B 155 31.064 70.906 72.318 1. 00 22.77 0
ATOM 4466 CB MET B 155 31.133 68.743 74.357 1. 00 21. 24 C
ATOM 4467 CG MET B 155 30.518 67.522 75.056 1. 00 24.29 C
ATOM 4468 SD MET B 155 28.870 67.081 74.450 1. 00 27.57 S
ATOM 4469 CE MET B 155 27.904 68.509 74.934 1. 00 32.88 C
ATOM 4470 N ARG B 156 32.881 69.903 71.507 1. 00 21.73 N
ATOM 4471 CA ARG B 156 33.539 71.126 71.079 1. 00 22.41 C
ATOM 4472 C ARG B 156 32.654 72.120 70.317 1. 00 22.48 C
ATOM 4473 0 ARG B 156 32.871 73.295 70.442 1. 00 25.79 0
ATOM 4474 CB ARG B 156 34.845 70.839 70.330 1. 00 19.68 C
ATOM 4475 CG ARG B 156 34.659 70.403 68.872 1. 00 23.28 C
ATOM 4476 CD ARG B 156 35.889 69.618 68.302 1. 00 28.86 C
ATOM 4477 NE ARG B 156 35.647 69.233 66.902 1. 00 29.74 N
ATOM 4478 CZ ARG B 156 34.937 68.173 66.521 1. 00 30.67 C
ATOM 4479 NH1 ARG B 156 34.395 67.360 67.431 1. 00 27.66 N
ATOM 4480 NH2 ARG B 156 34.761 67.925 65.225 1. 00 27.34 N
ATOM 4481 N GLU B 157 31.684 71.654 69.522 1. 00 24.86 N
ATOM 4482 CA GLU B 157 30.757 72.563 68.838 1. 00 25.76 C
ATOM 4483 C GLU B 157 29.813 73.307 69.777 1. 00 24.09 C
ATOM 4484 0 GLU B 157 29.292 74.355 69.400 1. 00 26.93 0
ATOM 4485 CB GLU B 157 29.918 71.855 67.762 1. 00 25.34 C
ATOM 4486 CG GLU B 157 30.696 71.338 66.562 1. 00 33.91 C
ATOM 4487 CD GLU B 157 31.294 72.430 65.697 1. 00 48.05 C
ATOM 4488 OE1 GLU B 157 30.722 73.541 65.644 1. 00 53.86 0
ATOM 4489 OE2 GLU B 157 32.339 72.167 65.060 1. 00 56.29 0
ATOM 4490 N GLU B 158 29.588 72.762 70.976 1. 00 26.20 N
ATOM 4491 CA GLU B 158 28.656 73.336 71.953 1. 00 24.31 C
ATOM 4492 C GLU B 158 29.339 73.948 73.180 1. 00 24.40 C
ATOM 4493 0 GLU B 158 28.906 74.996 73.671 1. 00 29.53 0
ATOM 4494 CB GLU B 158 27.573 72.310 72.391 1. 00 19.57 C
ATOM 4495 CG GLU B 158 26.651 71.868 71.291 1. 00 24.75 C
ATOM 4496 CD GLU B 158 25.631 72.923 70.874 1. 00 28.48 C
ATOM 4497 OE1 GLU B 158 25.498 73.955 71.563 1. 00 31. 24 0
ATOM 4498 OE2 GLU B 158 24.955 72.705 69.850 1. 00 31.51 0
ATOM 4499 N ILE B 159 30.396 73.308 73.652 1. 00 24.70 N
ATOM 4500 CA ILE B 159 31.110 73.691 74.867 1. 00 26.55 C
ATOM 4501 C ILE B 159 32.590 73.757 74.565 1. 00 27.81 C
ATOM 4502 0 ILE B 159 33.193 72.751 74.183 1. 00 31.65 0
ATOM 4503 CB ILE B 159 30.889 72.634 75.999 1. 00 27.26 C
ATOM 4504 CG1 ILE B 159 29.421 72.554 76.400 1. 00 26.78 C
ATOM 4505 CD1 ILE B 159 29.128 71.317 77.197 1. 00 31. 34 C
ATOM 4506 CG2 ILE B 159 31.784 72.900 77.205 1. 00 34.95 C
ATOM 4507 N GLN B 160 33.186 74.930 74.749 1. 00 25.57 N
ATOM 4508 CA GLN B 160 34.601 75.120 74.492 1. 00 26.20 C
ATOM 4509 C GLN B 160 35.395 75.315 75.757 1. 00 26.59 C

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Figure IA-83

Atom Type Residue # X Y Z Oee B Type

ATOM 4510 0 GLN B 160 36.593 75.226 75.728 1. 00 28.88 0
ATOM 4511 CB GLN B 160 34.801 76.333 73.594 1. 00 30.10 C
ATOM 4512 CG GLN B 160 34.200 76.207 72.235 1. 00 29.63 C
ATOM 4513 CD GLN B 160 32.726 76.499 72.201 1. 00 30.31 C
ATOM 4514 OE1 GLN B 160 32.234 77.451 72.822 1. 00 33.18 0
ATOM 4515 NE2 GLN B 160 32.000 75.671 71.478 1. 00 26.54 N
ATOM 4516 N ASP B 161 34.731 75.578 76.880 1. 00 25.44 N
ATOM 4517 CA ASP B 161 35.439 75.854 78.112 1. 00 27.78 C
ATOM 4518 C ASP B 161 34.600 75.513 79.326 1. 00 22.23 C
ATOM 4519 0 ASP B 161 33.391 75.516 79.249 1. 00 25.56 0
ATOM 4520 CB ASP B 161 35.819 77.352 78.158 1. 00 29.89 C
ATOM 4521 CG ASP B 161 36.794 77.669 79.261 1. 00 30.47 C
ATOM 4522 OD1 ASP B 161 37.966 77.291 79.130 1. 00 34.22 0
ATOM 4523 OD2 ASP B 161 36.388 78.301 80.252 1. 00 28.63 0
ATOM 4524 N ALA B 162 35.255 75.261 80.453 1. 00 26.76 N
ATOM 4525 CA ALA B 162 34.579 74.897 81. 71 7 1. 00 27.49 C
ATOM 4526 C ALA B 162 33.662 76.010 82.221 1. 00 24.70 C
ATOM 4527 0 ALA B 162 32.659 75.744 82.858 1. 00 25.92 0
ATOM 4528 CB ALA B 162 35.592 74.519 82.780 1. 00 29.43 C
ATOM 4529 N SER B 163 33.999 77.252 81.895 1. 00 23.89 N
ATOM 4530 CA SER B 163 33.141 78.411 82.231 1. 00 22.80 C
ATOM 4531 C SER B 163 31.710 78.283 81.654 1. 00 21. 30 C
ATOM 4532 0 SER B 163 30.803 78.999 82.059 1. 00 21.65 0
ATOM 4533 CB SER B 163 33.842 79.732 81.784 1. 00 17.58 C
ATOM 4534 OG SER B 163 33.723 79.902 80.388 1. 00 24.11 0
ATOM 4535 N GLN B 164 31.519 77.361 80.696 1. 00 22.17 N
ATOM 4536 CA GLN B 164 30.232 77.142 80.063 1. 00 19.66 C
ATOM 4537 C GLN B 164 29.379 76.043 80.745 1. 00 20.29 C
ATOM 4538 0 GLN B 164 28.250 75.842 80.378 1. 00 23.21 0
ATOM 4539 CB GLN B 164 30.400 76.830 78.572 1. 00 20.92 C
ATOM 4540 CG GLN B 164 30.796 78.034 77.707 1. 00 23.11 C
ATOM 4541 CD GLN B 164 31.405 77.624 76.398 1. 00 23.68 C
ATOM 4542 OE1 GLN B 164 32.281 76.751 76.351 1. 00 34.70 0
ATOM 4543 NE2 GLN B 164 30.946 78.235 75.317 1. 00 23.63 N
ATOM 4544 N LEU B 165 29.920 75.355 81.738 1. 00 25.05 N
ATOM 4545 CA LEU B 165 29.164 74.352 82.480 1. 00 25.60 C
ATOM 4546 C LEU B 165 29.017 74.796 83.927 1. 00 25.14 C
ATOM 4547 0 LEU B 165 29.702 75.714 84.337 1. 00 24.31 0
ATOM 4548 CB LEU B 165 29.857 72.986 82.384 1. 00 28.57 C
ATOM 4549 CG LEU B 165 29.904 72.348 80.986 1. 00 30.70 C
ATOM 4550 CD1 LEU B 165 30.464 70.968 81.092 1. 00 32.20 C
ATOM 4551 CD2 LEU B 165 28.517 72.300 80.391 1. 00 35.36 C
ATOM 4552 N PRO B 166 28.118 74.154 84.716 1. 00 27.36 N
ATOM 4553 CA PRO B 166 28.047 74.611 86.112 1. 00 26.44 C
ATOM 4554 C PRO B 166 29.388 74.478 86.828 1. 00 25.12 C
ATOM 4555 0 PRO B 166 30.141 73.551 86.541 1. 00 24.73 0
ATOM 4556 CB PRO B 166 26.966 73.706 86.722 1. 00 25.04 C
ATOM 4557 CG PRO B 166 26.138 73.342 85.559 1. 00 30.91 C
ATOM 4558 CD PRO B 166 27.131 73.092 84.469 1. 00 26.33 C
ATOM 4559 N PRO B 167 29.737 75.462 87.681 1. 00 24.62 N
ATOM 4560 CA PRO B 167 31.006 75.382 88.386 1. 00 23.07 C
ATOM 4561 C PRO B 167 31.160 74.200 89.369 1. 00 23.50 C
ATOM 4562 0 PRO B 167 32.266 73.759 89.563 1. 00 24.47 0
ATOM 4563 CB PRO B 167 31.134 76.752 89.085 1. 00 26.25 C
ATOM 4564 CG PRO B 167 29.893 77.440 88.877 1. 00 21.92 C

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Figure IA-84

Atom Type Residue # X Y Z Oee B Type

ATOM 4565 CD PRO B 167 29.042 76.739 87.907 1. 00 24.82 C
ATOM 4566 N ALA B 168 30.082 73.704 89.968 1. 00 23.81 N
ATOM 4567 CA ALA B 168 30.149 72.450 90.744 1. 00 25.04 C
ATOM 4568 C ALA B 168 30.447 71.218 89.882 1. 00 27.50 C
ATOM 4569 0 ALA B 168 30.987 70.219 90.392 1. 00 26.82 0
ATOM 4570 CB ALA B 168 28.896 72.227 91.527 1. 00 23.38 C
ATOM 4571 N PHE B 169 30.071 71.275 88.605 1. 00 25.65 N
ATOM 4572 CA PHE B 169 30.232 70.134 87.713 1. 00 25.78 C
ATOM 4573 C PHE B 169 31.701 69.952 87.339 1. 00 26.29 C
ATOM 4574 0 PHE B 169 32.293 70.803 86.677 1. 00 35.93 0
ATOM 4575 CB PHE B 169 29.354 70.257 86.476 1. 00 24.26 C
ATOM 4576 CG PHE B 169 29.497 69.112 85.522 1. 00 24.24 C
ATOM 4577 CD1 PHE B 169 28.737 67.955 85.696 1. 00 28.60 C
ATOM 4578 CE1 PHE B 169 28.875 66.885 84.843 1. 00 29.02 C
ATOM 4579 CZ PHE B 169 29.799 66.940 83.802 1. 00 31. 23 C
ATOM 4580 CE2 PHE B 169 30.567 68.088 83.610 1. 00 33.05 C
ATOM 4581 CD2 PHE B 169 30.413 69.164 84.481 1. 00 31. 33 C
ATOM 4582 N ASP B 170 32.274 68.846 87.778 1. 00 21.50 N
ATOM 4583 CA ASP B 170 33.645 68.476 87.464 1. 00 23.18 C
ATOM 4584 C ASP B 170 33.667 67.247 86.542 1. 00 22.74 C
ATOM 4585 0 ASP B 170 33.079 66.245 86.867 1. 00 22.05 0
ATOM 4586 CB ASP B 170 34.391 68.164 88.739 1. 00 24.32 C
ATOM 4587 CG ASP B 170 35.860 67.894 88.491 1. 00 24.72 C
ATOM 4588 OD1 ASP B 170 36.644 68.866 88.417 1. 00 41.94 0
ATOM 4589 OD2 ASP B 170 36.236 66.720 88.357 1. 00 25.40 0
ATOM 4590 N LEU B 171 34.355 67.347 85.410 1. 00 23.89 N
ATOM 4591 CA LEU B 171 34.277 66.330 84.359 1. 00 23.67 C
ATOM 4592 C LEU B 171 34.862 64.968 84.767 1. 00 22.36 C
ATOM 4593 0 LEU B 171 34.259 63.939 84.537 1. 00 19.08 0
ATOM 4594 CB LEU B 171 34.921 66.856 83.068 1. 00 23.66 C
ATOM 4595 CG LEU B 171 34.724 66.235 81.697 1. 00 32.18 C
ATOM 4596 CD1 LEU B 171 33.266 65.782 81.512 1. 00 34.29 C
ATOM 4597 CD2 LEU B 171 35.184 67.250 80.581 1. 00 27.95 C
ATOM 4598 N PHE B 172 36.039 64.971 85.369 1. 00 23.12 N
ATOM 4599 CA PHE B 172 36.629 63.751 85.877 1. 00 23.22 C
ATOM 4600 C PHE B 172 35.724 63.046 86.901 1. 00 22.23 C
ATOM 4601 0 PHE B 172 35.430 61.864 86.758 1. 00 24.73 0
ATOM 4602 CB PHE B 172 37.996 64.081 86.498 1. 00 23.71 C
ATOM 4603 CG PHE B 172 38.758 62.886 86.978 1. 00 21. 28 C
ATOM 4604 CD1 PHE B 172 39.640 62.225 86.130 1. 00 31. 42 C
ATOM 4605 CE1 PHE B 172 40.360 61.132 86.571 1. 00 24.78 C
ATOM 4606 CZ PHE B 172 40.228 60.705 87.885 1. 00 35.63 C
ATOM 4607 CE2 PHE B 172 39.362 61.358 88.746 1. 00 30.65 C
ATOM 4608 CD2 PHE B 172 38.636 62.451 88.295 1. 00 28.31 C
ATOM 4609 N GLU B 173 35.296 63.774 87.925 1. 00 21.56 N
ATOM 4610 CA GLU B 173 34.403 63.241 88.922 1. 00 22.09 C
ATOM 4611 C GLU B 173 33.067 62.787 88.337 1. 00 21. 47 C
ATOM 4612 0 GLU B 173 32.540 61.782 88.781 1. 00 22.61 0
ATOM 4613 CB GLU B 173 34.195 64.238 90.070 1. 00 25.43 C
ATOM 4614 N ALA B 174 32.556 63.480 87.321 1. 00 23.56 N
ATOM 4615 CA ALA B 174 31.371 63.006 86.579 1. 00 21.73 C
ATOM 4616 C ALA B 174 31.526 61.589 85.974 1. 00 20.69 C
ATOM 4617 0 ALA B 174 30.668 60.764 86.149 1. 00 21.59 0
ATOM 4618 CB ALA B 174 30.976 64.000 85.501 1. 00 23.83 C
ATOM 4619 N PHE B 175 32.633 61.327 85.299 1. 00 20.38 N

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Figure IA-85

Atom Type Residue # X Y Z Oee B Type

ATOM 4620 CA PHE B 175 32.874 60.031 84.713 1. 00 21.88 C
ATOM 4621 C PHE B 175 33.060 58.969 85.793 1. 00 21.76 C
ATOM 4622 0 PHE B 175 32.669 57.827 85.608 1. 00 21.15 0
ATOM 4623 CB PHE B 175 34.071 60.064 83.752 1. 00 17.67 C
ATOM 4624 CG PHE B 175 33.729 60.578 82.358 1. 00 20.74 C
ATOM 4625 CD1 PHE B 175 33.017 59.776 81.457 1. 00 24.11 C
ATOM 4626 CE1 PHE B 175 32.696 60.231 80.183 1. 00 17.52 C
ATOM 4627 CZ PHE B 175 33.085 61.482 79.769 1. 00 16.32 C
ATOM 4628 CE2 PHE B 175 33.797 62.303 80.630 1. 00 24.47 C
ATOM 4629 CD2 PHE B 175 34.105 61.847 81.952 1. 00 22.20 C
ATOM 4630 N ALA B 176 33.671 59.362 86.906 1. 00 24.06 N
ATOM 4631 CA ALA B 176 33.813 58.494 88.032 1. 00 22.91 C
ATOM 4632 C ALA B 176 32.437 58.128 88.603 1. 00 21.63 C
ATOM 4633 0 ALA B 176 32.195 56.951 88.930 1. 00 21.54 0
ATOM 4634 CB ALA B 176 34.753 59.104 89.108 1. 00 22.80 C
ATOM 4635 N LYS B 177 31.538 59.101 88.699 1. 00 21.01 N
ATOM 4636 CA LYS B 177 30.155 58.838 89.111 1. 00 20.24 C
ATOM 4637 C LYS B 177 29.448 57.874 88.175 1. 00 18.84 C
ATOM 4638 0 LYS B 177 28.768 56.920 88.632 1. 00 21.56 0
ATOM 4639 CB LYS B 177 29.337 60.133 89.161 1. 00 22.27 C
ATOM 4640 CG LYS B 177 29.621 61.033 90.308 1. 00 19.23 C
ATOM 4641 CD LYS B 177 29.393 62.454 89.843 1. 00 27.20 C
ATOM 4642 CE LYS B 177 28.483 63.257 90.747 1. 00 44.33 C
ATOM 4643 NZ LYS B 177 28.851 63.324 92.169 1. 00 29.09 N
ATOM 4644 N VAL B 178 29.614 58.116 86.873 1. 00 24.08 N
ATOM 4645 CA VAL B 178 29.054 57.226 85.823 1. 00 22.02 C
ATOM 4646 C VAL B 178 29.450 55.771 86.044 1. 00 21. 33 C
ATOM 4647 0 VAL B 178 28.579 54.897 86.013 1. 00 23.38 0
ATOM 4648 CB VAL B 178 29.368 57.746 84.354 1. 00 20.56 C
ATOM 4649 CG1 VAL B 178 28.959 56.727 83.314 1. 00 26.52 C
ATOM 4650 CG2 VAL B 178 28.647 59.021 84.102 1. 00 27.22 C
ATOM 4651 N ILE B 179 30.728 55.510 86.325 1. 00 21.17 N
ATOM 4652 CA ILE B 179 31. 252 54.158 86.535 1. 00 23.94 C
ATOM 4653 C ILE B 179 30.426 53.368 87.562 1. 00 24.23 C
ATOM 4654 0 ILE B 179 30.026 52.262 87.268 1. 00 24.13 0
ATOM 4655 CB ILE B 179 32.778 54.118 86.944 1. 00 22.89 C
ATOM 4656 CG1 ILE B 179 33.665 54.802 85.902 1. 00 36.00 C
ATOM 4657 CD1 ILE B 179 33.329 54.459 84.458 1. 00 48.97 C
ATOM 4658 CG2 ILE B 179 33.275 52.672 87.185 1. 00 23.27 C
ATOM 4659 N CYS B 180 30.156 53.944 88.743 1. 00 23.78 N
ATOM 4660 CA CYS B 180 29.451 53.208 89.778 1. 00 21.88 C
ATOM 4661 C CYS B 180 27.986 53.528 90.017 1. 00 22.56 C
ATOM 4662 0 CYS B 180 27.400 53.037 90.983 1. 00 21. 39 0
ATOM 4663 CB CYS B 180 30.212 53.259 91.102 1. 00 28.95 C
ATOM 4664 SG CYS B 180 30.554 54.945 91.617 1. 00 29.00 S
ATOM 4665 N ASN B 181 27.376 54.343 89.161 1. 00 18.88 N
ATOM 4666 CA ASN B 181 25.960 54.623 89.295 1. 00 19.49 C
ATOM 4667 C ASN B 181 25.182 54.516 87.990 1. 00 18.78 C
ATOM 4668 0 ASN B 181 24.060 54.992 87.920 1. 00 22.14 0
ATOM 4669 CB ASN B 181 25.758 56.041 89.856 1. 00 21. 32 C
ATOM 4670 CG ASN B 181 26.384 56.225 91.229 1. 00 22.18 C
ATOM 4671 OD1 ASN B 181 25.817 55.796 92.256 1. 00 20.25 0
ATOM 4672 ND2 ASN B 181 27.550 56.878 91.261 1. 00 20.80 N
ATOM 4673 N SER B 182 25.785 53.947 86.955 1. 00 21.65 N
ATOM 4674 CA SER B 182 25.082 53.742 85.667 1. 00 21.99 C

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Figure IA-86

Atom Type Residue # X Y Z Oee B Type

ATOM 4675 C SER B 182 24.086 52.600 85.779 1. 00 19.58 C
ATOM 4676 0 SER B 182 24.390 51.575 86.401 1. 00 20.31 0
ATOM 4677 CB SER B 182 26.091 53.380 84.577 1. 00 22.09 C
ATOM 4678 OG SER B 182 26.706 54.528 84.102 1. 00 25.84 0
ATOM 4679 N PHE B 183 22.901 52.773 85.208 1. 00 17.59 N
ATOM 4680 CA PHE B 183 21.930 51.676 85.051 1. 00 18.82 C
ATOM 4681 C PHE B 183 21.860 51.232 83.596 1. 00 17.89 C
ATOM 4682 0 PHE B 183 21.743 52.045 82.673 1. 00 18.92 0
ATOM 4683 CB PHE B 183 20.506 52.089 85.511 1. 00 18.18 C
ATOM 4684 CG PHE B 183 20.383 52.306 87.002 1. 00 19.23 C
ATOM 4685 CD1 PHE B 183 19.910 51.292 87.827 1. 00 24.47 C
ATOM 4686 CE1 PHE B 183 19.812 51.469 89.209 1. 00 25.91 C
ATOM 4687 CZ PHE B 183 20.200 52.657 89.789 1. 00 18.22 C
ATOM 4688 CE2 PHE B 183 20.692 53.675 88.991 1. 00 23.18 C
ATOM 4689 CD2 PHE B 183 20.783 53.492 87.582 1. 00 24.55 C
ATOM 4690 N THR B 184 21.936 49.926 83.402 1. 00 19.09 N
ATOM 4691 CA THR B 184 21.805 49.349 82.087 1. 00 18.65 C
ATOM 4692 C THR B 184 20.341 49.094 81.834 1. 00 16.88 C
ATOM 4693 0 THR B 184 19.719 48.293 82.507 1. 00 18.67 0
ATOM 4694 CB THR B 184 22.562 48.001 81.981 1. 00 17.65 C
ATOM 4695 OG1 THR B 184 23.930 48.208 82.337 1. 00 20.03 0
ATOM 4696 CG2 THR B 184 22.517 47.512 80.581 1. 00 19.64 C
ATOM 4697 N ILE B 185 19.804 49.816 80.873 1. 00 16.41 N
ATOM 4698 CA ILE B 185 18.420 49.723 80.524 1. 00 15.56 C
ATOM 4699 C ILE B 185 18.225 48.526 79.630 1. 00 17.53 C
ATOM 4700 0 ILE B 185 18.912 48.374 78.582 1. 00 16.59 0
ATOM 4701 CB ILE B 185 17.938 50.985 79.794 1. 00 13 .17 C
ATOM 4702 CG1 ILE B 185 18.176 52.221 80.677 1. 00 19.28 C
ATOM 4703 CD1 ILE B 185 18.054 53.534 79.959 1. 00 21.12 C
ATOM 4704 CG2 ILE B 185 16.432 50.840 79.313 1. 00 11.15 C
ATOM 4705 N CYS B 186 17.280 47.686 80.054 1. 00 17.70 N
ATOM 4706 CA CYS B 186 16.914 46.500 79.296 1. 00 16.37 C
ATOM 4707 C CYS B 186 15.526 46.651 78.695 1. 00 16.59 C
ATOM 4708 0 CYS B 186 14.607 47.245 79.294 1. 00 18.37 0
ATOM 4709 CB CYS B 186 17.039 45.232 80.177 1. 00 15.43 C
ATOM 4710 SG CYS B 186 18.703 44.933 80.743 1. 00 26.15 S
ATOM 4711 N ASN B 187 15.350 46.100 77.495 1. 00 16.79 N
ATOM 4712 CA ASN B 187 14.035 46.038 76.897 1. 00 16.76 C
ATOM 4713 C ASN B 187 13.170 44.923 77.540 1. 00 17.24 C
ATOM 4714 0 ASN B 187 13.652 44.201 78.420 1. 00 16.92 0
ATOM 4715 CB ASN B 187 14.112 45.954 75.355 1. 00 18.72 C
ATOM 4716 CG ASN B 187 14.597 44.593 74.842 1. 00 22.28 C
ATOM 4717 OD1 ASN B 187 14.701 43.625 75.610 1. 00 18.64 0
ATOM 4718 ND2 ASN B 187 14.889 44.518 73.520 1. 00 20.00 N
ATOM 4719 N ALA B 188 11.908 44.839 77.143 1. 00 19.10 N
ATOM 4720 CA ALA B 188 10.968 43.831 77.681 1. 00 20.71 C
ATOM 4721 C ALA B 188 11.532 42.403 77.655 1. 00 22.77 C
ATOM 4722 0 ALA B 188 11.242 41.611 78.541 1. 00 20.56 0
ATOM 4723 CB ALA B 188 9.681 43.874 76.928 1. 00 20.83 C
ATOM 4724 N GLU B 189 12.331 42.094 76.632 1. 00 22.33 N
ATOM 4725 CA GLU B 189 12.914 40.754 76.445 1. 00 21.18 C
ATOM 4726 C GLU B 189 14.246 40.617 77.165 1. 00 21.57 C
ATOM 4727 0 GLU B 189 14.951 39.631 76.972 1. 00 21. 42 0
ATOM 4728 CB GLU B 189 13 .141 40.474 74.968 1. 00 23.48 C
ATOM 4729 CG GLU B 189 11.867 40.396 74.082 1. 00 28.31 C

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Figure IA-87

Atom Type Residue # X Y Z Oee B Type

ATOM 4730 CD GLU B 189 11.198 41.734 73.814 1. 00 25.16 C
ATOM 4731 OE1 GLU B 189 11.888 42.778 73.623 1. 00 26.99 0
ATOM 4732 OE2 GLU B 189 9.948 41.747 73.815 1. 00 33.72 0
ATOM 4733 N MET B 190 14.600 41.625 77.967 1. 00 18.55 N
ATOM 4734 CA MET B 190 15.890 41.668 78.682 1. 00 18.45 C
ATOM 4735 C MET B 190 17.162 41.796 77.850 1. 00 18.73 C
ATOM 4736 0 MET B 190 18.266 41.503 78.345 1. 00 20.70 0
ATOM 4737 CB MET B 190 16.026 40.509 79.695 1. 00 16.10 C
ATOM 4738 CG MET B 190 14.921 40.474 80.732 1. 00 20.73 C
ATOM 4739 SD MET B 190 15.126 41.886 81.854 1. 00 25.13 S
ATOM 4740 CE MET B 190 13.731 41.615 82.945 1. 00 21.75 C
ATOM 4741 N GLN B 191 17.023 42.280 76.615 1. 00 19.04 N
ATOM 4742 CA GLN B 191 18.159 42.731 75.852 1. 00 17.76 C
ATOM 4743 C GLN B 191 18.624 44.133 76.380 1. 00 15.69 C
ATOM 4744 0 GLN B 191 17.804 45.018 76.595 1. 00 16.57 0
ATOM 4745 CB GLN B 191 17.799 42.740 74.361 1. 00 17.94 C
ATOM 4746 CG GLN B 191 18.836 43.366 73.431 1. 00 24.04 C
ATOM 4747 CD GLN B 191 19.936 42.396 72.980 1. 00 18.67 C
ATOM 4748 OE1 GLN B 191 20.154 41.360 73.589 1. 00 30.72 0
ATOM 4749 NE2 GLN B 191 20.648 42.757 71.927 1. 00 19.71 N
ATOM 4750 N GLU B 192 19.925 44.290 76.621 1. 00 14.57 N
ATOM 4751 CA GLU B 192 20.478 45.573 77.023 1. 00 18.66 C
ATOM 4752 C GLU B 192 20.436 46.516 75.818 1. 00 20.75 C
ATOM 4753 0 GLU B 192 20.946 46.167 74.741 1. 00 20.58 0
ATOM 4754 CB GLU B 192 21.887 45.401 77.566 1. 00 21.68 C
ATOM 4755 CG GLU B 192 21.939 44.515 78.790 1. 00 25.08 C
ATOM 4756 CD GLU B 192 23.348 44.242 79.276 1. 00 29.85 C
ATOM 4757 OE1 GLU B 192 24.299 44.574 78.557 1. 00 34.07 0
ATOM 4758 OE2 GLU B 192 23.493 43.699 80.395 1. 00 35.80 0
ATOM 4759 N VAL B 193 19.786 47.677 75.994 1. 00 18.02 N
ATOM 4760 CA VAL B 193 19.512 48.610 74.904 1. 00 17.14 C
ATOM 4761 C VAL B 193 19.940 50.063 75.160 1. 00 19.26 C
ATOM 4762 0 VAL B 193 19.972 50.874 74.242 1. 00 18.55 0
ATOM 4763 CB VAL B 193 18.026 48.632 74.495 1. 00 16.23 C
ATOM 4764 CG1 VAL B 193 17.646 47.350 73.765 1. 00 15.68 C
ATOM 4765 CG2 VAL B 193 17.151 48.912 75.689 1. 00 19.04 C
ATOM 4766 N GLY B 194 20.261 50.395 76.405 1. 00 19.59 N
ATOM 4767 CA GLY B 194 20.610 51.764 76.745 1. 00 16.76 C
ATOM 4768 C GLY B 194 21.302 51.869 78.086 1. 00 18.70 C
ATOM 4769 0 GLY B 194 21.478 50.880 78.784 1. 00 19.14 0
ATOM 4770 N VAL B 195 21.707 53.084 78.435 1. 00 15.35 N
ATOM 4771 CA VAL B 195 22.307 53.357 79.728 1. 00 17.17 C
ATOM 4772 C VAL B 195 21.710 54.651 80.231 1. 00 14.83 C
ATOM 4773 0 VAL B 195 21.508 55.606 79.460 1. 00 14.88 0
ATOM 4774 CB VAL B 195 23.873 53.433 79.635 1. 00 15.80 C
ATOM 4775 CG1 VAL B 195 24.368 54.482 78.605 1. 00 17.34 C
ATOM 4776 CG2 VAL B 195 24.538 53.594 81.016 1. 00 19.48 C
ATOM 4777 N GLY B 196 21.448 54.708 81.524 1. 00 15.63 N
ATOM 4778 CA GLY B 196 20.958 55.942 82.095 1. 00 16.30 C
ATOM 4779 C GLY B 196 21.385 56.167 83.523 1. 00 16.50 C
ATOM 4780 0 GLY B 196 21.872 55.278 84.172 1. 00 15.82 0
ATOM 4781 N LEU B 197 21.197 57.408 83.967 1. 00 17.32 N
ATOM 4782 CA LEU B 197 21. 354 57.803 85.347 1. 00 19.23 C
ATOM 4783 C LEU B 197 19.983 57.969 85.971 1. 00 18.30 C
ATOM 4784 0 LEU B 197 19.073 58.566 85.380 1. 00 20.98 0

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Figure IA-88

Atom Type Residue # X Y Z Oee B Type

ATOM 4785 CB LEU B 197 22.168 59.092 85.458 1. 00 19.85 C
ATOM 4786 CG LEU B 197 23.637 59.083 84.999 1. 00 17.53 C
ATOM 4787 CD1 LEU B 197 24.367 60.350 85.504 1. 00 17.73 C
ATOM 4788 CD2 LEU B 197 24.406 57.807 85.430 1. 00 20.80 C
ATOM 4789 N TYR B 198 19.830 57.458 87.191 1. 00 18.99 N
ATOM 4790 CA TYR B 198 18.574 57.609 87.888 1. 00 19.42 C
ATOM 4791 C TYR B 198 19.019 57.829 89.337 1. 00 21. 24 C
ATOM 4792 0 TYR B 198 19.115 56.866 90.097 1. 00 17.78 0
ATOM 4793 CB TYR B 198 17.730 56.339 87.796 1. 00 20.01 C
ATOM 4794 CG TYR B 198 17.328 55.860 86.413 1. 00 14.16 C
ATOM 4795 CD1 TYR B 198 16.030 55.978 85.993 1. 00 20.76 C
ATOM 4796 CE1 TYR B 198 15.626 55.485 84.735 1. 00 20.63 C
ATOM 4797 CZ TYR B 198 16.551 54.877 83.892 1. 00 18.26 C
ATOM 4798 OH TYR B 198 16.098 54.410 82.675 1. 00 16.58 0
ATOM 4799 CE2 TYR B 198 17.860 54.732 84.289 1. 00 16.72 C
ATOM 4800 CD2 TYR B 198 18.245 55.216 85.555 1. 00 15.33 C
ATOM 4801 N PRO B 199 19.369 59.092 89.683 1. 00 20.57 N
ATOM 4802 CA PRO B 199 20.107 59.368 90.934 1. 00 23.22 C
ATOM 4803 C PRO B 199 19.404 58.850 92.199 1. 00 19.93 C
ATOM 4804 0 PRO B 199 20.074 58.324 93.080 1. 00 21.69 0
ATOM 4805 CB PRO B 199 20.243 60.893 90.918 1. 00 23.99 C
ATOM 4806 CG PRO B 199 20.315 61.180 89.384 1. 00 19.10 C
ATOM 4807 CD PRO B 199 19.173 60.329 88.907 1. 00 17.23 C
ATOM 4808 N SER B 200 18.082 58.982 92.274 1. 00 22.03 N
ATOM 4809 CA SER B 200 17.339 58.559 93.490 1. 00 23.38 C
ATOM 4810 C SER B 200 17.478 57.058 93.691 1. 00 23.44 C
ATOM 4811 0 SER B 200 17.718 56.585 94.804 1. 00 24.87 0
ATOM 4812 CB SER B 200 15.861 58.950 93.411 1. 00 23.03 C
ATOM 4813 OG SER B 200 15.675 60.340 93.445 1. 00 28.58 0
ATOM 4814 N ILE B 201 17.363 56.316 92.589 1. 00 23.15 N
ATOM 4815 CA ILE B 201 17.566 54.874 92.570 1. 00 21.12 C
ATOM 4816 C ILE B 201 19.018 54.462 92.921 1. 00 20.06 C
ATOM 4817 0 ILE B 201 19.249 53.361 93.424 1. 00 21.17 0
ATOM 4818 CB ILE B 201 17.109 54.285 91.172 1. 00 16.62 C
ATOM 4819 CG1 ILE B 201 15.816 54.939 90.690 1. 00 23.59 C
ATOM 4820 CD1 ILE B 201 14.571 54.594 91.503 1. 00 26.48 C
ATOM 4821 CG2 ILE B 201 16.970 52.766 91.206 1. 00 24.66 C
ATOM 4822 N SER B 202 19.993 55.339 92.666 1. 00 20.49 N
ATOM 4823 CA SER B 202 21.396 55.046 92.931 1. 00 19.76 C
ATOM 4824 C SER B 202 21.695 54.992 94.453 1. 00 19.85 C
ATOM 4825 0 SER B 202 22.779 54.620 94.850 1. 00 21. 38 0
ATOM 4826 CB SER B 202 22.305 56.100 92.280 1. 00 25.49 C
ATOM 4827 OG SER B 202 22.352 55.930 90.879 1. 00 28.47 0
ATOM 4828 N LEU B 203 20.709 55.342 95.266 1. 00 19.49 N
ATOM 4829 CA LEU B 203 20.805 55.217 96.738 1. 00 23.65 C
ATOM 4830 C LEU B 203 20.849 53.752 97.208 1. 00 22.82 C
ATOM 4831 0 LEU B 203 21.379 53.453 98.269 1. 00 26.93 0
ATOM 4832 CB LEU B 203 19.603 55.925 97.375 1. 00 22.57 C
ATOM 4833 CG LEU B 203 19.729 56.889 98.561 1. 00 26.65 C
ATOM 4834 CD1 LEU B 203 21.080 57.511 98.729 1. 00 23.99 C
ATOM 4835 CD2 LEU B 203 18.638 57.934 98.443 1. 00 26.21 C
ATOM 4836 N LEU B 204 20.253 52.865 96.430 1. 00 21.81 N
ATOM 4837 CA LEU B 204 20.264 51.435 96.713 1. 00 22.03 C
ATOM 4838 C LEU B 204 21.649 50.780 96.669 1. 00 20.04 C
ATOM 4839 0 LEU B 204 22.327 50.737 95.639 1. 00 23.11 0

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Figure IA-89

Atom Type Residue # X Y Z Oee B Type

ATOM 4840 CB LEU B 204 19.293 50.715 95.783 1. 00 21. 40 C
ATOM 4841 CG LEU B 204 17.808 51.048 95.862 1. 00 24.92 C
ATOM 4842 CD1 LEU B 204 17.170 50.750 94.488 1. 00 25.40 C
ATOM 4843 CD2 LEU B 204 17.147 50.254 96.967 1. 00 24.42 C
ATOM 4844 N ASN B 205 22.068 50.272 97.818 1. 00 22.71 N
ATOM 4845 CA ASN B 205 23.269 49.471 97.908 1. 00 19.87 C
ATOM 4846 C ASN B 205 23.034 48.052 97.379 1. 00 19.22 C
ATOM 4847 0 ASN B 205 21.897 47.653 97.136 1. 00 19.25 0
ATOM 4848 CB ASN B 205 23.767 49.482 99.345 1. 00 23.38 C
ATOM 4849 CG ASN B 205 24.412 50.795 99.702 1. 00 26.05 C
ATOM 4850 OD1 ASN B 205 25.326 51.230 99.022 1. 00 27.30 0
ATOM 4851 ND2 ASN B 205 23.928 51.445 100.757 1. 00 29.04 N
ATOM 4852 N HIS B 206 24.123 47.322 97.181 1. 00 21.88 N
ATOM 4853 CA HIS B 206 24.080 46.036 96.508 1. 00 21.84 C
ATOM 4854 C HIS B 206 23.978 44.833 97.471 1. 00 22.77 C
ATOM 4855 0 HIS B 206 24.646 44.824 98.500 1. 00 23.32 0
ATOM 4856 CB HIS B 206 25.334 45.857 95.636 1. 00 20.29 C
ATOM 4857 CG HIS B 206 25.516 44.453 95.134 1. 00 23.23 C
ATOM 4858 ND1 HIS B 206 26.260 43.505 95.809 1. 00 32.74 N
ATOM 4859 CE1 HIS B 206 26.213 42.361 95.150 1. 00 18.78 C
ATOM 4860 NE2 HIS B 206 25.457 42.529 94.081 1. 00 24.87 N
ATOM 4861 CD2 HIS B 206 25.008 43.826 94.051 1. 00 16.16 C
ATOM 4862 N SER B 207 23.174 43.830 97.093 1. 00 22.18 N
ATOM 4863 CA SER B 207 23.261 42.482 97.660 1. 00 22.80 C
ATOM 4864 C SER B 207 23.194 41.406 96.566 1. 00 23.39 C
ATOM 4865 0 SER B 207 22.501 41.599 95.588 1. 00 24.50 0
ATOM 4866 CB SER B 207 22.129 42.235 98.653 1. 00 26.02 C
ATOM 4867 OG SER B 207 22.296 40.982 99.292 1. 00 23.27 0
ATOM 4868 N CYS B 208 23.865 40.270 96.760 1. 00 24.54 N
ATOM 4869 CA CYS B 208 23.633 39.089 95.879 1. 00 24.46 C
ATOM 4870 C CYS B 208 22.353 38.312 96.221 1. 00 24.80 C
ATOM 4871 0 CYS B 208 21.924 37.423 95.473 1. 00 28.42 0
ATOM 4872 CB CYS B 208 24.879 38.194 95.822 1. 00 28.29 C
ATOM 4873 SG CYS B 208 26.437 39.130 95.575 1. 00 24.03 S
ATOM 4874 N ASP B 209 21.761 38.625 97.372 1. 00 26.24 N
ATOM 4875 CA ASP B 209 20.446 38.122 97.769 1. 00 27.10 C
ATOM 4876 C ASP B 209 19.532 39.313 98.127 1. 00 27.30 C
ATOM 4877 0 ASP B 209 19.243 39.556 99.320 1. 00 27.59 0
ATOM 4878 CB ASP B 209 20.597 37.143 98.952 1. 00 28.72 C
ATOM 4879 CG ASP B 209 19.269 36.696 99.525 1. 00 29.96 C
ATOM 4880 OD1 ASP B 209 18.341 36.407 98.758 1. 00 33.47 0
ATOM 4881 OD2 ASP B 209 19.170 36.611 100.763 1. 00 43.89 0
ATOM 4882 N PRO B 210 19.088 40.082 97.103 1. 00 26.84 N
ATOM 4883 CA PRO B 210 18.371 41.331 97.352 1. 00 23.73 C
ATOM 4884 C PRO B 210 16.922 41.198 97.841 1. 00 23.67 C
ATOM 4885 0 PRO B 210 16.267 40.185 97.603 1. 00 24.25 0
ATOM 4886 CB PRO B 210 18.432 42.044 95.986 1. 00 26.02 C
ATOM 4887 CG PRO B 210 18.539 40.971 94.987 1. 00 23.72 C
ATOM 4888 CD PRO B 210 19.268 39.826 95.657 1. 00 26.74 C
ATOM 4889 N ASN B 211 16.413 42.238 98.507 1. 00 22.49 N
ATOM 4890 CA ASN B 211 14.987 42.279 98.847 1. 00 23.78 C
ATOM 4891 C ASN B 211 14.128 43.111 97.880 1. 00 20.55 C
ATOM 4892 0 ASN B 211 12.910 43.132 97.970 1. 00 21.90 0
ATOM 4893 CB ASN B 211 14.767 42.703 100.319 1. 00 26.55 C
ATOM 4894 CG ASN B 211 15.392 44.047 100.658 1. 00 24.29 C

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Figure IA-90

Atom Type Residue # X Y Z Oee B Type

ATOM 4895 OD1 ASN B 211 15.683 44.864 99.779 1. 00 24.19 0
ATOM 4896 ND2 ASN B 211 15.592 44.285 101.954 1. 00 32.34 N
ATOM 4897 N CYS B 212 14.782 43.744 96.903 1. 00 23.63 N
ATOM 4898 CA CYS B 212 14.119 44.583 95.915 1. 00 22.38 C
ATOM 4899 C CYS B 212 14.673 44.284 94.522 1. 00 21.88 C
ATOM 4900 0 CYS B 212 15.759 43.736 94.381 1. 00 22.06 0
ATOM 4901 CB CYS B 212 14.370 46.061 96.180 1. 00 25.03 C
ATOM 4902 SG CYS B 212 13 .515 46.708 97.630 1. 00 24.74 S
ATOM 4903 N SER B 213 13.914 44.680 93.518 1. 00 23.74 N
ATOM 4904 CA SER B 213 14.323 44.449 92.123 1. 00 22.30 C
ATOM 4905 C SER B 213 13.861 45.627 91.288 1. 00 18.43 C
ATOM 4906 0 SER B 213 12.824 46.213 91.569 1. 00 24.45 0
ATOM 4907 CB SER B 213 13.672 43.183 91.626 1. 00 18.10 C
ATOM 4908 OG SER B 213 13.913 42.969 90.241 1. 00 24.95 0
ATOM 4909 N ILE B 214 14.628 45.952 90.253 1. 00 21.94 N
ATOM 4910 CA ILE B 214 14.237 46.957 89.251 1. 00 18.52 C
ATOM 4911 C ILE B 214 13.859 46.303 87.901 1. 00 17.65 C
ATOM 4912 0 ILE B 214 14.348 45.219 87.549 1. 00 17.96 0
ATOM 4913 CB ILE B 214 15.314 48.070 89.063 1. 00 20.69 C
ATOM 4914 CG1 ILE B 214 16.658 47.523 88.585 1. 00 20.93 C
ATOM 4915 CD1 ILE B 214 17.642 48.622 88.115 1. 00 20.63 C
ATOM 4916 CG2 ILE B 214 15.530 48.842 90.386 1. 00 23.41 C
ATOM 4917 N VAL B 215 12.949 46.944 87.198 1. 00 17.53 N
ATOM 4918 CA VAL B 215 12.567 46.543 85.852 1. 00 20.44 C
ATOM 4919 C VAL B 215 12.350 47.825 85.026 1. 00 22.98 C
ATOM 4920 0 VAL B 215 11.905 48.830 85.558 1. 00 20.73 0
ATOM 4921 CB VAL B 215 11.306 45.590 85.899 1. 00 23.90 C
ATOM 4922 CG1 VAL B 215 10.067 46.343 86.434 1. 00 26.17 C
ATOM 4923 CG2 VAL B 215 11.034 44.956 84.569 1. 00 30.75 C
ATOM 4924 N PHE B 216 12.722 47.766 83.749 1. 00 19.95 N
ATOM 4925 CA PHE B 216 12.564 48.843 82.814 1. 00 19.65 C
ATOM 4926 C PHE B 216 11.385 48.617 81.889 1. 00 18.87 C
ATOM 4927 0 PHE B 216 11 .153 47.515 81.398 1. 00 19.98 0
ATOM 4928 CB PHE B 216 13.871 49.035 81.997 1. 00 18.16 C
ATOM 4929 CG PHE B 216 15.046 49.405 82.830 1. 00 16.31 C
ATOM 4930 CD1 PHE B 216 15.298 50.739 83.120 1. 00 17.85 C
ATOM 4931 CE1 PHE B 216 16.385 51.112 83.914 1. 00 11.82 C
ATOM 4932 CZ PHE B 216 17.215 50.136 84.467 1. 00 16.83 C
ATOM 4933 CE2 PHE B 216 16.969 48.751 84.168 1. 00 14.14 C
ATOM 4934 CD2 PHE B 216 15.884 48.408 83.386 1. 00 14.34 C
ATOM 4935 N ASN B 217 10.642 49.688 81.657 1. 00 20.40 N
ATOM 4936 CA ASN B 217 9.597 49.735 80.642 1. 00 21.59 C
ATOM 4937 C ASN B 217 9.976 50.887 79.709 1. 00 21.08 C
ATOM 4938 0 ASN B 217 9.657 52.011 79.972 1. 00 18.80 0
ATOM 4939 CB ASN B 217 8.263 50.031 81.325 1. 00 21.51 C
ATOM 4940 CG ASN B 217 7.073 49.619 80.515 1. 00 29.45 C
ATOM 4941 OD1 ASN B 217 5.937 49.796 80.961 1. 00 43.07 0
ATOM 4942 ND2 ASN B 217 7.302 49.050 79.336 1. 00 35.03 N
ATOM 4943 N GLY B 218 10.693 50.596 78.634 1. 00 19.95 N
ATOM 4944 CA GLY B 218 11.375 51.641 77.913 1. 00 19.69 C
ATOM 4945 C GLY B 218 12.402 52.257 78.861 1. 00 15.50 C
ATOM 4946 0 GLY B 218 12.984 51.567 79.670 1. 00 19.22 0
ATOM 4947 N PRO B 219 12.605 53.581 78.782 1. 00 19.75 N
ATOM 4948 CA PRO B 219 13.490 54.292 79.717 1. 00 17.05 C
ATOM 4949 C PRO B 219 12.943 54.387 81.152 1. 00 15.71 C

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Figure lA-91

Atom Type Residue # X Y Z Oee B Type

ATOM 4950 0 PRO B 219 13.709 54.692 82.070 1. 00 17.63 0
ATOM 4951 CB PRO B 219 13.579 55.701 79.110 1. 00 18.27 C
ATOM 4952 CG PRO B 219 13.001 55.552 77.700 1. 00 23.13 C
ATOM 4953 CD PRO B 219 12.028 54.482 77.764 1. 00 18.31 C
ATOM 4954 N HIS B 220 11.653 54.120 81.345 1. 00 17.83 N
ATOM 4955 CA HIS B 220 11.027 54.164 82.687 1. 00 18.33 C
ATOM 4956 C HIS B 220 11.437 53.011 83.628 1. 00 16.38 C
ATOM 4957 0 HIS B 220 11.425 51.844 83.236 1. 00 22.44 0
ATOM 4958 CB HIS B 220 9.498 54.249 82.578 1. 00 18.88 C
ATOM 4959 CG HIS B 220 8.834 54.693 83.843 1. 00 22.15 C
ATOM 4960 ND1 HIS B 220 8.895 55.993 84.297 1. 00 29.16 N
ATOM 4961 CE1 HIS B 220 8.244 56.087 85.444 1. 00 30.03 C
ATOM 4962 NE2 HIS B 220 7.764 54.898 85.749 1. 00 21.53 N
ATOM 4963 CD2 HIS B 220 8.136 54.003 84.775 1. 00 29.97 C
ATOM 4964 N LEU B 221 11.815 53.354 84.858 1. 00 16.82 N
ATOM 4965 CA LEU B 221 12.333 52.382 85.811 1. 00 17.39 C
ATOM 4966 C LEU B 221 11.309 52.256 86.962 1. 00 21.77 C
ATOM 4967 0 LEU B 221 10.826 53.273 87.494 1. 00 21.94 0
ATOM 4968 CB LEU B 221 13.716 52.808 86.340 1. 00 12.68 C
ATOM 4969 CG LEU B 221 14.449 51.954 87.416 1. 00 16.09 C
ATOM 4970 CD1 LEU B 221 15.937 52.240 87.487 1. 00 13 .42 C
ATOM 4971 CD2 LEU B 221 13.819 52.098 88.833 1. 00 20.16 C
ATOM 4972 N LEU B 222 11.032 51.005 87.335 1. 00 19.58 N
ATOM 4973 CA LEU B 222 10.173 50.672 88.433 1. 00 20.91 C
ATOM 4974 C LEU B 222 10.989 49.903 89.450 1. 00 21.09 C
ATOM 4975 0 LEU B 222 11.645 48.903 89.110 1. 00 19.85 0
ATOM 4976 CB LEU B 222 9.015 49.788 87.948 1. 00 22.02 C
ATOM 4977 CG LEU B 222 8.019 50.267 86.900 1. 00 20.15 C
ATOM 4978 CD1 LEU B 222 6.975 49.167 86.673 1. 00 27.34 C
ATOM 4979 CD2 LEU B 222 7.345 51.554 87.280 1. 00 27.55 C
ATOM 4980 N LEU B 223 10.933 50.364 90.698 1. 00 24.39 N
ATOM 4981 CA LEU B 223 11.550 49.677 91.851 1. 00 21.08 C
ATOM 4982 C LEU B 223 10.461 48.965 92.682 1. 00 21. 28 C
ATOM 4983 0 LEU B 223 9.529 49.616 93.155 1. 00 21.19 0
ATOM 4984 CB LEU B 223 12.327 50.684 92.713 1. 00 19.72 C
ATOM 4985 CG LEU B 223 12.927 50.162 94.034 1. 00 22.28 C
ATOM 4986 CD1 LEU B 223 14.068 49.180 93.817 1. 00 16.23 C
ATOM 4987 CD2 LEU B 223 13.367 51.324 94.910 1. 00 22.27 C
ATOM 4988 N ARG B 224 10.563 47.636 92.803 1. 00 22.79 N
ATOM 4989 CA ARG B 224 9.583 46.855 93.558 1. 00 24.19 C
ATOM 4990 C ARG B 224 10.212 46.040 94.666 1. 00 24.51 C
ATOM 4991 0 ARG B 224 11.341 45.601 94.545 1. 00 23.46 0
ATOM 4992 CB ARG B 224 8.800 45.906 92.651 1. 00 22.96 C
ATOM 4993 CG ARG B 224 8.188 46.540 91.469 1. 00 23.34 C
ATOM 4994 CD ARG B 224 7.070 45.709 90.976 1. 00 30.21 C
ATOM 4995 NE ARG B 224 6.299 46.478 90.038 1. 00 44.05 N
ATOM 4996 CZ ARG B 224 5.092 46.964 90.271 1. 00 38.57 C
ATOM 4997 NH1 ARG B 224 4.468 46.741 91.423 1. 00 44.07 N
ATOM 4998 NH2 ARG B 224 4.505 47.664 89.316 1. 00 47.72 N
ATOM 4999 N ALA B 225 9.451 45.815 95.747 1. 00 26.21 N
ATOM 5000 CA ALA B 225 9.855 44.841 96.750 1. 00 24.61 C
ATOM 5001 C ALA B 225 9.659 43.436 96 .196 1. 00 21.04 C
ATOM 5002 0 ALA B 225 8.665 43.155 95.515 1. 00 25.28 0
ATOM 5003 CB ALA B 225 9.050 45.026 98.075 1. 00 24.86 C
ATOM 5004 N VAL B 226 10.595 42.555 96.489 1. 00 20.96 N

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Figure IA-92

Atom Type Residue # X Y Z Oee B Type

ATOM 5005 CA VAL B 226 10.410 41.139 96.095 1. 00 25.13 C
ATOM 5006 C VAL B 226 10.335 40.152 97.267 1. 00 26.85 C
ATOM 5007 0 VAL B 226 10.340 38.943 97.074 1. 00 28.47 0
ATOM 5008 CB VAL B 226 11.425 40.664 94.999 1. 00 20.76 C
ATOM 5009 CG1 VAL B 226 11.176 41. 412 93.693 1. 00 23.38 C
ATOM 5010 CG2 VAL B 226 12.861 40.776 95.463 1. 00 23.36 C
ATOM 5011 N ARG B 227 10.291 40.689 98.479 1. 00 31. 41 N
ATOM 5012 CA ARG B 227 9.943 39.910 99.667 1. 00 34.21 C
ATOM 5013 C ARG B 227 9.284 40.842 100.692 1. 00 31.78 C
ATOM 5014 0 ARG B 227 9.079 42.033 100.422 1. 00 28.99 0
ATOM 5015 CB ARG B 227 11.172 39.182 100.241 1. 00 32.88 C
ATOM 5016 CG ARG B 227 12.341 40.067 100.614 1. 00 37.98 C
ATOM 5017 CD ARG B 227 13.439 39.286 101.361 1. 00 40.24 C
ATOM 5018 NE ARG B 227 14.272 38.476 100.467 1. 00 51.03 N
ATOM 5019 CZ ARG B 227 15.580 38.653 100.260 1. 00 48.35 C
ATOM 5020 NH1 ARG B 227 16.255 39.608 100.887 1. 00 51.16 N
ATOM 5021 NH2 ARG B 227 16.222 37.848 99.427 1. 00 49.21 N
ATOM 5022 N ASP B 228 8.918 40.299 101.849 1. 00 32.48 N
ATOM 5023 CA ASP B 228 8.468 41.143 102.950 1. 00 32.97 C
ATOM 5024 C ASP B 228 9.659 41.886 103.512 1. 00 30.87 C
ATOM 5025 0 ASP B 228 10.735 41.313 103.684 1. 00 34.21 0
ATOM 5026 CB ASP B 228 7.780 40.303 104.035 1. 00 35.63 C
ATOM 5027 CG ASP B 228 6.392 39.853 103.618 1. 00 41. 37 C
ATOM 5028 OD1 ASP B 228 5.478 40.708 103.555 1. 00 50.45 0
ATOM 5029 OD2 ASP B 228 6.218 38.645 103.344 1. 00 52.25 0
ATOM 5030 N ILE B 229 9.465 43.171 103.765 1. 00 29.98 N
ATOM 5031 CA ILE B 229 10.507 44.038 104.290 1. 00 29.32 C
ATOM 5032 C ILE B 229 9.894 44.791 105.456 1. 00 31.95 C
ATOM 5033 0 ILE B 229 8.767 45.290 105.352 1. 00 33.22 0
ATOM 5034 CB ILE B 229 11.020 45.076 103.233 1. 00 28.88 C
ATOM 5035 CG1 ILE B 229 11.523 44.367 101.961 1. 00 27.53 C
ATOM 5036 CD1 ILE B 229 11.822 45.310 100.797 1. 00 28.54 C
ATOM 5037 CG2 ILE B 229 12.128 45.973 103.842 1. 00 19.75 C
ATOM 5038 N GLU B 230 10.641 44.865 106.553 1. 00 34.69 N
ATOM 5039 CA GLU B 230 10.166 45.495 107.790 1. 00 37.28 C
ATOM 5040 C GLU B 230 10.617 46.951 107.859 1. 00 36.38 C
ATOM 5041 0 GLU B 230 11.618 47.322 107.242 1. 00 35.02 0
ATOM 5042 CB GLU B 230 10.694 44.725 109.011 1. 00 39.10 C
ATOM 5043 N VAL B 231 9.891 47.772 108.620 1. 00 36.86 N
ATOM 5044 CA VAL B 231 10.284 49.172 108.827 1. 00 33.96 C
ATOM 5045 C VAL B 231 11.762 49.261 109.233 1. 00 32.20 C
ATOM 5046 0 VAL B 231 12.227 48.517 110.100 1. 00 30.63 0
ATOM 5047 CB VAL B 231 9.393 49.882 109.905 1. 00 34.60 C
ATOM 5048 CG1 VAL B 231 9.820 51.333 110.090 1. 00 34.18 C
ATOM 5049 CG2 VAL B 231 7.916 49.819 109.526 1. 00 38.28 C
ATOM 5050 N GLY B 232 12.503 50.156 108.585 1. 00 29.93 N
ATOM 5051 CA GLY B 232 13.900 50.395 108.926 1. 00 29.82 C
ATOM 5052 C GLY B 232 14.913 49.507 108.245 1. 00 28.95 C
ATOM 5053 0 GLY B 232 16.109 49.767 108.320 1. 00 32.22 0
ATOM 5054 N GLU B 233 14.445 48.439 107.608 1. 00 31. 27 N
ATOM 5055 CA GLU B 233 15.314 47.491 106.912 1. 00 30.70 C
ATOM 5056 C GLU B 233 15.858 48.151 105.653 1. 00 26.99 C
ATOM 5057 0 GLU B 233 15.101 48.775 104.927 1. 00 26.49 0
ATOM 5058 CB GLU B 233 14.504 46.250 106.545 1. 00 33.30 C
ATOM 5059 CG GLU B 233 15.302 45.094 105.960 1. 00 38.83 C

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Figure IA-93

Atom Type Residue # X Y Z Oee B Type

ATOM 5060 CD GLU B 233 14.432 43.870 105.654 1. 00 40.62 C
ATOM 5061 OE1 GLU B 233 13.374 43.688 106.317 1. 00 48.03 0
ATOM 5062 OE2 GLU B 233 14.816 43.089 104.743 1. 00 46.06 0
ATOM 5063 N GLU B 234 17.172 48.057 105.450 1. 00 25.15 N
ATOM 5064 CA GLU B 234 17.824 48.550 104.236 1. 00 24.94 C
ATOM 5065 C GLU B 234 17.229 47.879 102.997 1. 00 24.16 C
ATOM 5066 0 GLU B 234 16.970 46.675 102.999 1. 00 24.33 0
ATOM 5067 CB GLU B 234 19.332 48.316 104.278 1. 00 23.44 C
ATOM 5068 CG GLU B 234 20.030 48.785 102.996 1. 00 29.00 C
ATOM 5069 CD GLU B 234 21.515 49.070 103.153 1. 00 30.34 C
ATOM 5070 OE1 GLU B 234 22.152 48.522 104.074 1. 00 40.04 0
ATOM 5071 OE2 GLU B 234 22.048 49.865 102.349 1. 00 33.80 0
ATOM 5072 N LEU B 235 17.013 48.671 101.946 1. 00 22.50 N
ATOM 5073 CA LEU B 235 16.565 48.145 100.661 1. 00 22.91 C
ATOM 5074 C LEU B 235 17.784 47.923 99.754 1. 00 23.03 C
ATOM 5075 0 LEU B 235 18.644 48.790 99.620 1. 00 25.50 0
ATOM 5076 CB LEU B 235 15.583 49.113 100.001 1. 00 22.77 C
ATOM 5077 CG LEU B 235 14.362 49.592 100.779 1. 00 27.89 C
ATOM 5078 CD1 LEU B 235 13.687 50.726 100.049 1. 00 39.45 C
ATOM 5079 CD2 LEU B 235 13.405 48.501 100.927 1. 00 21. 38 C
ATOM 5080 N THR B 236 17.846 46.751 99.147 1. 00 24.92 N
ATOM 5081 CA THR B 236 18.975 46.372 98.308 1. 00 23.87 C
ATOM 5082 C THR B 236 18.478 45.861 96 . 954 1. 00 21. 36 C
ATOM 5083 0 THR B 236 17.383 45.306 96.852 1. 00 21.00 0
ATOM 5084 CB THR B 236 19.831 45.232 98.959 1. 00 24.79 C
ATOM 5085 OG1 THR B 236 19.000 44.102 99.208 1. 00 23.29 0
ATOM 5086 CG2 THR B 236 20.521 45.681 100.240 1. 00 25.40 C
ATOM 5087 N ILE B 237 19.306 46.055 95.933 1. 00 22.45 N
ATOM 5088 CA ILE B 237 19.151 45.373 94.652 1. 00 21.83 C
ATOM 5089 C ILE B 237 20.446 44.648 94.305 1. 00 19.37 C
ATOM 5090 0 ILE B 237 21.506 44.921 94.891 1. 00 19.99 0
ATOM 5091 CB ILE B 237 18.764 46.366 93.484 1. 00 21.90 C
ATOM 5092 CG1 ILE B 237 19.809 47.487 93.381 1. 00 20.58 C
ATOM 5093 CD1 ILE B 237 19.740 48.314 92.061 1. 00 23.60 C
ATOM 5094 CG2 ILE B 237 17.363 46.868 93.674 1. 00 24.57 C
ATOM 5095 N CYS B 238 20.365 43.713 93.354 1. 00 20.40 N
ATOM 5096 CA CYS B 238 21.575 43.100 92.824 1. 00 20.86 C
ATOM 5097 C CYS B 238 22.090 43.864 91.588 1. 00 20.77 C
ATOM 5098 0 CYS B 238 21.368 43.996 90.602 1. 00 19.24 0
ATOM 5099 CB CYS B 238 21.341 41.612 92.496 1. 00 22.24 C
ATOM 5100 SG CYS B 238 22.835 40.771 92.200 1. 00 24.29 S
ATOM 5101 N TYR B 239 23.339 44.325 91.656 1. 00 17.01 N
ATOM 5102 CA TYR B 239 23.960 45.119 90.606 1. 00 19.27 C
ATOM 5103 C TYR B 239 24.383 44.276 89.427 1. 00 19.02 C
ATOM 5104 0 TYR B 239 24.660 44.831 88.386 1. 00 19.14 0
ATOM 5105 CB TYR B 239 25.246 45.806 91.093 1. 00 18.03 C
ATOM 5106 CG TYR B 239 25.093 46.955 92.065 1. 00 13.81 C
ATOM 5107 CD1 TYR B 239 23.843 47.284 92.609 1. 00 21.68 C
ATOM 5108 CE1 TYR B 239 23.712 48.321 93.527 1. 00 23.59 C
ATOM 5109 CZ TYR B 239 24.843 49.029 93.943 1. 00 21.63 C
ATOM 5110 OH TYR B 239 24.691 50.053 94.866 1. 00 25.83 0
ATOM 5111 CE2 TYR B 239 26.084 48.717 93.451 1. 00 18.11 C
ATOM 5112 CD2 TYR B 239 26.213 47.652 92.515 1. 00 21.72 C
ATOM 5113 N LEU B 240 24.444 42.960 89.649 1. 00 20.09 N
ATOM 5114 CA LEU B 240 25.080 41.974 88.797 1. 00 21.92 C

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Figure IA-94

Atom Type Residue # X Y Z Oee B Type

ATOM 5115 C LEU B 240 24.146 40.890 88.222 1. 00 19.42 C
ATOM 5116 0 LEU B 240 23.102 40.540 88.800 1. 00 20.30 0
ATOM 5117 CB LEU B 240 26.210 41.299 89.593 1. 00 21.14 C
ATOM 5118 CG LEU B 240 27.348 42.130 90.192 1. 00 22.06 C
ATOM 5119 CDI LEU B 240 28.371 41.179 90.809 1. 00 26.86 C
ATOM 5120 CD2 LEU B 240 28.044 43.117 89.202 1. 00 22.82 C
ATOM 5121 N ASP B 241 24.540 40.389 87.058 1. 00 20.64 N
ATOM 5122 CA ASP B 241 23.960 39.183 86.416 1. 00 23.32 C
ATOM 5123 C ASP B 241 24.008 38.055 87.445 1. 00 20.01 C
ATOM 5124 0 ASP B 241 25.018 37.892 88.124 1. 00 22.19 0
ATOM 5125 CB ASP B 241 24.836 38.867 85.191 1. 00 21. 45 C
ATOM 5126 CG ASP B 241 24.480 37.554 84.442 1. 00 28.06 C
ATOM 5127 ODI ASP B 241 23.496 36.818 84.722 1. 00 32.40 0
ATOM 5128 OD2 ASP B 241 25.250 37.261 83.512 1. 00 44.83 0
ATOM 5129 N MET B 242 22.918 37.314 87.574 1. 00 21. 35 N
ATOM 5130 CA MET B 242 22.861 36.148 88.500 1. 00 19.09 C
ATOM 5131 C MET B 242 23.767 34.991 88.110 1. 00 20.20 C
ATOM 5132 0 MET B 242 24.168 34.192 88.969 1. 00 20.83 0
ATOM 5133 CB MET B 242 21.440 35.623 88.599 1. 00 18.99 C
ATOM 5134 CG MET B 242 20.428 36.547 89.297 1. 00 22.68 C
ATOM 5135 SD MET B 242 21.056 37.421 90.747 1. 00 29.03 S
ATOM 5136 CE MET B 242 21.209 36.088 91.925 1. 00 32.73 C
ATOM 5137 N LEU B 243 24.094 34.901 86.826 1. 00 17.48 N
ATOM 5138 CA LEU B 243 24.891 33.805 86.317 1. 00 18.20 C
ATOM 5139 C LEU B 243 26.382 34.071 86.388 1. 00 17.61 C
ATOM 5140 0 LEU B 243 27.067 34.259 85.369 1. 00 21.90 0
ATOM 5141 CB LEU B 243 24.440 33.462 84.903 1. 00 15.26 C
ATOM 5142 CG LEU B 243 22.983 32.989 84.708 1. 00 18.38 C
ATOM 5143 CDI LEU B 243 22.781 32.491 83.284 1. 00 18.73 C
ATOM 5144 CD2 LEU B 243 22.537 31.930 85.741 1. 00 18.87 C
ATOM 5145 N MET B 244 26.887 34.114 87.614 1. 00 20.38 N
ATOM 5146 CA MET B 244 28.251 34.562 87.905 1. 00 20.36 C
ATOM 5147 C MET B 244 28.663 33.895 89.206 1. 00 18.22 C
ATOM 5148 0 MET B 244 27.899 33.915 90.158 1. 00 23.30 0
ATOM 5149 CB MET B 244 28.320 36.101 88.141 1. 00 19.04 C
ATOM 5150 CG MET B 244 28.012 36.949 86.984 1. 00 22.96 C
ATOM 5151 SD MET B 244 28.257 38.715 87.283 1. 00 23.34 S
ATOM 5152 CE MET B 244 30.015 38.806 87.313 1. 00 22.88 C
ATOM 5153 N THR B 245 29.871 33.357 89.245 1. 00 19.61 N
ATOM 5154 CA THR B 245 30.403 32.706 90.440 1. 00 22.82 C
ATOM 5155 C THR B 245 30.725 33.784 91.490 1. 00 23.05 C
ATOM 5156 0 THR B 245 30.886 34.936 91 .149 1. 00 21.86 0
ATOM 5157 CB THR B 245 31.687 31.894 90.127 1. 00 21.93 C
ATOM 5158 OGI THR B 245 32.726 32.777 89.681 1. 00 21. 38 0
ATOM 5159 CG2 THR B 245 31.432 30.852 89.078 1. 00 23.54 C
ATOM 5160 N SER B 246 30.807 33.406 92.765 1. 00 25.26 N
ATOM 5161 CA SER B 246 31.219 34.368 93.798 1. 00 22.52 C
ATOM 5162 C SER B 246 32.552 35.077 93.473 1. 00 23.10 C
ATOM 5163 0 SER B 246 32.703 36.260 93.741 1. 00 23.10 0
ATOM 5164 CB SER B 246 31.247 33.709 95.197 1. 00 23.63 C
ATOM 5165 OG SER B 246 32.272 32.719 95.270 1. 00 25.31 0
ATOM 5166 N GLU B 247 33.502 34.360 92.887 1. 00 25.18 N
ATOM 5167 CA GLU B 247 34.763 34.936 92.452 1. 00 27.12 C
ATOM 5168 C GLU B 247 34.573 35.994 91.350 1. 00 26.17 C
ATOM 5169 0 GLU B 247 35.233 37.006 91.368 1. 00 22.84 0

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Figure IA-95

Atom Type Residue # X Y Z Oee B Type

ATOM 5170 CB GLU B 247 35.716 33.825 91.966 1. 00 27.01 C
ATOM 5171 CG GLU B 247 37.055 34.302 91.407 1. 00 36.02 C
ATOM 5172 N GLU B 248 33.698 35.722 90.375 1. 00 27.04 N
ATOM 5173 CA GLU B 248 33.432 36.666 89.284 1. 00 22.63 C
ATOM 5174 C GLU B 248 32.719 37.922 89.798 1. 00 21. 48 C
ATOM 5175 0 GLU B 248 33.049 39.045 89.384 1. 00 24.98 0
ATOM 5176 CB GLU B 248 32.635 35.992 88.145 1. 00 23.92 C
ATOM 5177 CG GLU B 248 33.416 34.945 87.344 1. 00 28.08 C
ATOM 5178 CD GLU B 248 32.543 34.160 86.352 1. 00 20.72 C
ATOM 5179 OE1 GLU B 248 31.330 33.968 86.609 1. 00 22.99 0
ATOM 5180 OE2 GLU B 248 33.084 33.762 85.292 1. 00 23.30 0
ATOM 5181 N ARG B 249 31.763 37.739 90.707 1. 00 21.86 N
ATOM 5182 CA ARG B 249 31.116 38.845 91.361 1. 00 21.77 C
ATOM 5183 C ARG B 249 32.134 39.713 92.133 1. 00 23.84 C
ATOM 5184 0 ARG B 249 32.116 40.940 92.033 1. 00 23.23 0
ATOM 5185 CB ARG B 249 29.982 38.374 92.281 1. 00 15.48 C
ATOM 5186 CG ARG B 249 28.967 37.472 91.574 1. 00 24.32 C
ATOM 5187 CD ARG B 249 27.631 37.332 92.269 1. 00 24.61 C
ATOM 5188 NE ARG B 249 27.734 36.849 93.644 1. 00 27.67 N
ATOM 5189 CZ ARG B 249 27.785 35.562 94.000 1. 00 26.36 C
ATOM 5190 NH1 ARG B 249 27.744 34.607 93.083 1. 00 28.82 N
ATOM 5191 NH2 ARG B 249 27.870 35.240 95.287 1. 00 26.61 N
ATOM 5192 N ARG B 250 33.020 39.055 92.877 1. 00 25.50 N
ATOM 5193 CA ARG B 250 34.041 39.733 93.656 1. 00 28.65 C
ATOM 5194 C ARG B 250 34.878 40.598 92.748 1. 00 27.30 C
ATOM 5195 0 ARG B 250 35.055 41.777 93.015 1. 00 27.69 0
ATOM 5196 CB ARG B 250 34.934 38.715 94.406 1. 00 31.10 C
ATOM 5197 N LYS B 251 35.353 40.029 91.644 1. 00 28.43 N
ATOM 5198 CA LYS B 251 36.152 40.794 90.710 1. 00 29.61 C
ATOM 5199 C LYS B 251 35.409 42.051 90.188 1. 00 29.82 C
ATOM 5200 0 LYS B 251 35.953 43.145 90.230 1. 00 27.17 0
ATOM 5201 CB LYS B 251 36.660 39.905 89.575 1. 00 29.25 C
ATOM 5202 CG LYS B 251 37.578 40.603 88.583 1. 00 37.19 C
ATOM 5203 CD LYS B 251 38.011 39.644 87.466 1. 00 36.73 C
ATOM 5204 CE LYS B 251 38.825 40.345 86.367 1. 00 49.14 C
ATOM 5205 NZ LYS B 251 40.010 41.070 86.912 1. 00 56.96 N
ATOM 5206 N GLN B 252 34.162 41.894 89.737 1. 00 30.12 N
ATOM 5207 CA GLN B 252 33.435 43.003 89.137 1. 00 28.17 C
ATOM 5208 C GLN B 252 33.113 44.095 90.139 1. 00 27.75 C
ATOM 5209 0 GLN B 252 33.296 45.266 89.835 1. 00 28.46 0
ATOM 5210 CB GLN B 252 32.143 42.549 88.411 1. 00 30.10 C
ATOM 5211 CG GLN B 252 31.704 43.588 87.387 1. 00 30.43 C
ATOM 5212 CD GLN B 252 30.373 43.310 86.731 1. 00 33.95 C
ATOM 5213 OE1 GLN B 252 30.038 42.162 86.407 1. 00 36.62 0
ATOM 5214 NE2 GLN B 252 29.589 44.374 86.535 1. 00 38.29 N
ATOM 5215 N LEU B 253 32.655 43.704 91.327 1. 00 25.12 N
ATOM 5216 CA LEU B 253 32.327 44.635 92.394 1. 00 24.67 C
ATOM 5217 C LEU B 253 33.535 45.409 92.895 1. 00 26.14 C
ATOM 5218 0 LEU B 253 33.425 46.565 93.257 1. 00 22.95 0
ATOM 5219 CB LEU B 253 31.624 43.935 93.550 1. 00 24.75 C
ATOM 5220 CG LEU B 253 30.252 43.317 93.274 1. 00 25.03 C
ATOM 5221 CD1 LEU B 253 29.722 42.681 94.535 1. 00 17.16 C
ATOM 5222 CD2 LEU B 253 29.255 44.328 92.732 1. 00 25.67 C
ATOM 5223 N ARG B 254 34.694 44.777 92.906 1. 00 27.88 N
ATOM 5224 CA ARG B 254 35.909 45.531 93.193 1. 00 28.38 C

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Figure IA-96

Atom Type Residue # X Y Z Oee B Type

ATOM 5225 C ARG B 254 36.303 46.476 92.046 1. 00 26.71 C
ATOM 5226 0 ARG B 254 36.552 47.657 92.283 1. 00 31.60 0
ATOM 5227 CB ARG B 254 37.054 44.588 93.594 1. 00 26.83 C
ATOM 5228 CG ARG B 254 38.469 45.207 93.540 1. 00 30.32 C
ATOM 5229 CD ARG B 254 38.651 46.401 94.496 1. 00 46.55 C
ATOM 5230 NE ARG B 254 38.074 46.167 95.824 1. 00 52.55 N
ATOM 5231 CZ ARG B 254 37.846 47.115 96 .732 1. 00 56.51 C
ATOM 5232 NH1 ARG B 254 38.138 48.388 96.471 1. 00 57.78 N
ATOM 5233 NH2 ARG B 254 37.316 46.789 97.906 1. 00 56.86 N
ATOM 5234 N ASP B 255 36.329 45.973 90.817 1. 00 27.40 N
ATOM 5235 CA ASP B 255 36.817 46.727 89.669 1. 00 27.60 C
ATOM 5236 C ASP B 255 35.943 47.901 89.283 1. 00 28.92 C
ATOM 5237 0 ASP B 255 36.443 48.977 88.963 1. 00 26.50 0
ATOM 5238 CB ASP B 255 37.034 45.813 88.465 1. 00 30.53 C
ATOM 5239 CG ASP B 255 38.222 44.901 88.630 1. 00 33.39 C
ATOM 5240 OD1 ASP B 255 38.917 44.983 89.667 1. 00 35.36 0
ATOM 5241 OD2 ASP B 255 38.462 44.084 87.712 1. 00 48.83 0
ATOM 5242 N GLN B 256 34.634 47.707 89.348 1. 00 29.23 N
ATOM 5243 CA GLN B 256 33.690 48.738 88.951 1. 00 27.76 C
ATOM 5244 C GLN B 256 33.167 49.562 90.099 1. 00 25.86 C
ATOM 5245 0 GLN B 256 32.955 50.773 89.949 1. 00 28.99 0
ATOM 5246 CB GLN B 256 32.507 48.088 88.231 1. 00 26.73 C
ATOM 5247 CG GLN B 256 31.653 49.039 87.414 1. 00 26.87 C
ATOM 5248 CD GLN B 256 30.463 48.336 86.779 1. 00 29.09 C
ATOM 5249 OE1 GLN B 256 30.454 47.118 86.650 1. 00 25.24 0
ATOM 5250 NE2 GLN B 256 29.443 49.100 86.403 1. 00 28.05 N
ATOM 5251 N TYR B 257 32.927 48.917 91.237 1. 00 26.11 N
ATOM 5252 CA TYR B 257 32.249 49.575 92.334 1. 00 26.30 C
ATOM 5253 C TYR B 257 33.094 49.792 93.584 1. 00 26.96 C
ATOM 5254 0 TYR B 257 32.580 50.325 94.560 1. 00 29.27 0
ATOM 5255 CB TYR B 257 30.968 48.832 92.711 1. 00 26.26 C
ATOM 5256 CG TYR B 257 29.943 48.777 91.615 1. 00 25.98 C
ATOM 5257 CD1 TYR B 257 29.031 49.818 91.443 1. 00 22.04 C
ATOM 5258 CE1 TYR B 257 28.098 49.775 90.440 1. 00 25.45 C
ATOM 5259 CZ TYR B 257 28.058 48.683 89.581 1. 00 21.74 C
ATOM 5260 OH TYR B 257 27.105 48.648 88.609 1. 00 21.01 0
ATOM 5261 CE2 TYR B 257 28.926 47.624 89.740 1. 00 26.97 C
ATOM 5262 CD2 TYR B 257 29.881 47.679 90.747 1. 00 27.11 C
ATOM 5263 N CYS B 258 34.364 49.392 93.548 1. 00 25.82 N
ATOM 5264 CA CYS B 258 35.292 49.624 94.672 1. 00 28.37 C
ATOM 5265 C CYS B 258 34.771 49.126 96.008 1. 00 26.91 C
ATOM 5266 0 CYS B 258 34.777 49.883 96.988 1. 00 25.80 0
ATOM 5267 CB CYS B 258 35.629 51.129 94.795 1. 00 27.78 C
ATOM 5268 SG CYS B 258 36.439 51.792 93.370 1. 00 30.49 S
ATOM 5269 N PHE B 259 34.273 47.884 96.050 1. 00 25.68 N
ATOM 5270 CA PHE B 259 33.910 47.261 97.320 1. 00 27.00 C
ATOM 5271 C PHE B 259 33.990 45.733 97.279 1. 00 29.57 C
ATOM 5272 0 PHE B 259 34.125 45.116 96.209 1. 00 30.12 0
ATOM 5273 CB PHE B 259 32.557 47.759 97.888 1. 00 26.19 C
ATOM 5274 CG PHE B 259 31.319 47.107 97.263 1. 00 26.86 C
ATOM 5275 CD1 PHE B 259 30.736 45.973 97.843 1. 00 26.67 C
ATOM 5276 CE1 PHE B 259 29.604 45.373 97.290 1. 00 23.83 C
ATOM 5277 CZ PHE B 259 29.017 45.932 96 .128 1. 00 28.22 C
ATOM 5278 CE2 PHE B 259 29.572 47.082 95.550 1. 00 23.92 C
ATOM 5279 CD2 PHE B 259 30.718 47.660 96.118 1. 00 26.63 C

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WO 2008/137834 peTIUS2008/062636

Figure IA-97

Atom Type Residue # X Y Z Oee B Type

ATOM 5280 N GLU B 260 33.927 45.156 98.478 1. 00 32.34 N
ATOM 5281 CA GLU B 260 33.878 43.719 98.714 1. 00 32.22 C
ATOM 5282 C GLU B 260 32.524 43.422 99.310 1. 00 31. 42 C
ATOM 5283 0 GLU B 260 32.131 44.030 100.325 1. 00 31. 26 0
ATOM 5284 CB GLU B 260 34.981 43.322 99.675 1. 00 33.82 C
ATOM 5285 CG GLU B 260 36.164 42.630 99.025 1. 00 46.78 C
ATOM 5286 CD GLU B 260 36.242 41.139 99.376 1. 00 57.94 C
ATOM 5287 OE1 GLU B 260 36.096 40.788 100.572 1. 00 65.23 0
ATOM 5288 OE2 GLU B 260 36.460 40.318 98.459 1. 00 64.48 0
ATOM 5289 N CYS B 261 31.781 42.524 98.655 1. 00 30.96 N
ATOM 5290 CA CYS B 261 30.460 42.134 99.126 1. 00 31.89 C
ATOM 5291 C CYS B 261 30.571 41.163 100.277 1. 00 34.66 C
ATOM 5292 0 CYS B 261 31.233 40.140 100.154 1. 00 32.53 0
ATOM 5293 CB CYS B 261 29.630 41.464 98.038 1. 00 24.21 C
ATOM 5294 SG CYS B 261 27.984 41.101 98.610 1. 00 31. 28 S
ATOM 5295 N ASP B 262 29.880 41.491 101.367 1. 00 36.84 N
ATOM 5296 CA ASP B 262 29.847 40.655 102.558 1. 00 39.25 C
ATOM 5297 C ASP B 262 28.506 39.940 102.756 1. 00 37.02 C
ATOM 5298 0 ASP B 262 28.180 39.566 103.882 1. 00 39.57 0
ATOM 5299 CB ASP B 262 30.174 41.501 103.808 1. 00 41.81 C
ATOM 5300 CG ASP B 262 29.110 42.571 104.108 1. 00 48.77 C
ATOM 5301 OD1 ASP B 262 28.385 43.010 103.182 1. 00 52.65 0
ATOM 5302 OD2 ASP B 262 29.010 42.991 105.282 1. 00 55.92 0
ATOM 5303 N CYS B 263 27.719 39.753 101.695 1. 00 33.41 N
ATOM 5304 CA CYS B 263 26.458 39.018 101.853 1. 00 32.43 C
ATOM 5305 C CYS B 263 26.741 37.522 102.099 1. 00 29.96 C
ATOM 5306 0 CYS B 263 27.871 37.068 101.920 1. 00 28.83 0
ATOM 5307 CB CYS B 263 25.501 39.232 100.666 1. 00 31.90 C
ATOM 5308 SG CYS B 263 25.817 38.183 99.201 1. 00 30.95 S
ATOM 5309 N PHE B 264 25.716 36.779 102.519 1. 00 32.03 N
ATOM 5310 CA PHE B 264 25.878 35.366 102.867 1. 00 32.48 C
ATOM 5311 C PHE B 264 26.319 34.507 101.685 1. 00 31. 36 C
ATOM 5312 0 PHE B 264 27.090 33.568 101.870 1. 00 29.71 0
ATOM 5313 CB PHE B 264 24.616 34.801 103.541 1. 00 37.20 C
ATOM 5314 CG PHE B 264 23.656 34.107 102.601 1. 00 46.55 C
ATOM 5315 CD1 PHE B 264 22.609 34.815 101.998 1. 00 52.15 C
ATOM 5316 CE1 PHE B 264 21.705 34.172 101.137 1. 00 54.67 C
ATOM 5317 CZ PHE B 264 21.843 32.802 100.875 1. 00 52.72 C
ATOM 5318 CE2 PHE B 264 22.884 32.082 101.476 1. 00 55.87 C
ATOM 5319 CD2 PHE B 264 23.778 32.735 102.341 1. 00 51.50 C
ATOM 5320 N ARG B 265 25.866 34.855 100.472 1. 00 30.16 N
ATOM 5321 CA ARG B 265 26.215 34.086 99.265 1. 00 28.42 C
ATOM 5322 C ARG B 265 27.703 34.172 98.947 1. 00 27.51 C
ATOM 5323 0 ARG B 265 28.347 33.186 98.631 1. 00 29.22 0
ATOM 5324 CB ARG B 265 25.379 34.520 98.051 1. 00 27.62 C
ATOM 5325 CG ARG B 265 23.924 34.170 98.155 1. 00 24.93 C
ATOM 5326 CD ARG B 265 23.174 34.327 96.845 1. 00 23.92 C
ATOM 5327 NE ARG B 265 23.615 33.371 95.847 1. 00 34.99 N
ATOM 5328 CZ ARG B 265 23.932 33.680 94.600 1. 00 33.48 C
ATOM 5329 NH1 ARG B 265 23.814 34.934 94.178 1. 00 34.40 N
ATOM 5330 NH2 ARG B 265 24.344 32.724 93.778 1. 00 32.73 N
ATOM 5331 N CYS B 266 28.250 35.363 99.048 1. 00 29.25 N
ATOM 5332 CA CYS B 266 29.669 35.560 98.842 1. 00 30.39 C
ATOM 5333 C CYS B 266 30.488 34.935 99.983 1. 00 31.05 C
ATOM 5334 0 CYS B 266 31.566 34.405 99.744 1. 00 32.81 0

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Figure IA-98

Atom Type Residue # X Y Z Oee B Type

ATOM 5335 CB CYS B 266 29.975 37.055 98.732 1. 00 31. 23 C
ATOM 5336 SG CYS B 266 29.295 37.836 97.214 1. 00 29.39 S
ATOM 5337 N GLN B 267 29.980 35.015 101.212 1. 00 32.06 N
ATOM 5338 CA GLN B 267 30.634 34.358 102.350 1. 00 34.20 C
ATOM 5339 C GLN B 267 30.712 32.829 102.145 1. 00 35.26 C
ATOM 5340 0 GLN B 267 31.733 32.220 102.441 1. 00 36.85 0
ATOM 5341 CB GLN B 267 29.923 34.702 103.659 1. 00 35.91 C
ATOM 5342 N THR B 268 29.657 32.234 101.583 1. 00 34.25 N
ATOM 5343 CA THR B 268 29.550 30.774 101.505 1. 00 34.80 C
ATOM 5344 C THR B 268 29.721 30.154 100.121 1. 00 36.08 C
ATOM 5345 0 THR B 268 29.471 28.941 99.952 1. 00 33.46 0
ATOM 5346 CB THR B 268 28.215 30.271 102.096 1. 00 33.20 C
ATOM 5347 OG1 THR B 268 27.108 30.906 101.435 1. 00 34.47 0
ATOM 5348 CG2 THR B 268 28.157 30.547 103.583 1. 00 38.33 C
ATOM 5349 N GLN B 269 30.141 30.961 99.132 1. 00 35.10 N
ATOM 5350 CA GLN B 269 30.293 30.477 97.735 1. 00 33.76 C
ATOM 5351 C GLN B 269 29.027 29.808 97.259 1. 00 30.15 C
ATOM 5352 0 GLN B 269 29.053 28.737 96.635 1. 00 31.92 0
ATOM 5353 CB GLN B 269 31.473 29.506 97.599 1. 00 33.69 C
ATOM 5354 CG GLN B 269 32.821 30.156 97.755 1. 00 41.56 C
ATOM 5355 CD GLN B 269 33.007 30.783 99.124 1. 00 54.38 C
ATOM 5356 OE1 GLN B 269 33.073 30.085 100.141 1. 00 59.78 0
ATOM 5357 NE2 GLN B 269 33.082 32.107 99.158 1. 00 59.37 N
ATOM 5358 N ASP B 270 27.910 30.435 97.584 1. 00 31.02 N
ATOM 5359 CA ASP B 270 26.600 29.820 97.387 1. 00 31.57 C
ATOM 5360 C ASP B 270 26.279 29.567 95.915 1. 00 29.60 C
ATOM 5361 0 ASP B 270 26.238 30.519 95.131 1. 00 29.08 0
ATOM 5362 CB ASP B 270 25.519 30.708 97.991 1. 00 32.28 C
ATOM 5363 CG ASP B 270 24.150 30.125 97.823 1. 00 30.21 C
ATOM 5364 OD1 ASP B 270 23.958 28.994 98.299 1. 00 38.01 0
ATOM 5365 OD2 ASP B 270 23.281 30.779 97.196 1. 00 30.27 0
ATOM 5366 N LYS B 271 26.055 28.289 95.576 1. 00 25.41 N
ATOM 5367 CA LYS B 271 25.726 27.804 94.212 1. 00 25.73 C
ATOM 5368 C LYS B 271 26.909 27.723 93.223 1. 00 19.67 C
ATOM 5369 0 LYS B 271 26.687 27.397 92.058 1. 00 22.16 0
ATOM 5370 CB LYS B 271 24.524 28.562 93.572 1. 00 26.02 C
ATOM 5371 CG LYS B 271 23.258 28.617 94.423 1. 00 29.42 C
ATOM 5372 CD LYS B 271 22.126 29.333 93.707 1. 00 31.10 C
ATOM 5373 CE LYS B 271 20.901 29.530 94.605 1. 00 33.42 C
ATOM 5374 NZ LYS B 271 21.180 30.623 95.584 1. 00 35.39 N
ATOM 5375 N ASP B 272 28.135 28.020 93.672 1. 00 20.64 N
ATOM 5376 CA ASP B 272 29.328 28.016 92.794 1. 00 23.36 C
ATOM 5377 C ASP B 272 29.587 26.637 92.177 1. 00 25.31 C
ATOM 5378 0 ASP B 272 29.967 26.533 91.012 1. 00 27.16 0
ATOM 5379 CB ASP B 272 30.603 28.414 93.536 1. 00 24.96 C
ATOM 5380 CG ASP B 272 30.817 29.941 93.617 1. 00 30.38 C
ATOM 5381 OD1 ASP B 272 29.914 30.725 93.257 1. 00 29.10 0
ATOM 5382 OD2 ASP B 272 31.913 30.334 94.052 1. 00 35.55 0
ATOM 5383 N ALA B 273 29.421 25.584 92.979 1. 00 26.00 N
ATOM 5384 CA ALA B 273 29.643 24.204 92.501 1. 00 26.37 C
ATOM 5385 C ALA B 273 28.740 23.859 91.340 1. 00 23.00 C
ATOM 5386 0 ALA B 273 29.200 23.341 90.329 1. 00 25.24 0
ATOM 5387 CB ALA B 273 29.440 23.192 93.647 1. 00 24.62 C
ATOM 5388 N ASP B 274 27.454 24.134 91.530 1. 00 22.60 N
ATOM 5389 CA ASP B 274 26.425 23.929 90.546 1. 00 23.47 C

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WO 2008/137834 peTIUS2008/062636

Figure IA-99

Atom Type Residue # X Y Z Oee B Type

ATOM 5390 C ASP B 274 26.758 24.718 89.271 1. 00 23.59 C
ATOM 5391 0 ASP B 274 26.647 24.189 88.173 1. 00 23.43 0
ATOM 5392 CB ASP B 274 25.058 24.335 91.112 1. 00 26.49 C
ATOM 5393 CG ASP B 274 24.388 23.225 91.950 1. 00 31.89 C
ATOM 5394 OD1 ASP B 274 25.057 22.237 92.315 1. 00 39.60 0
ATOM 5395 OD2 ASP B 274 23.172 23.345 92.219 1. 00 30.49 0
ATOM 5396 N MET B 275 27.188 25.967 89.428 1. 00 22.76 N
ATOM 5397 CA MET B 275 27.562 26.812 88.276 1. 00 23.31 C
ATOM 5398 C MET B 275 28.736 26.281 87.482 1. 00 21.00 C
ATOM 5399 0 MET B 275 28.805 26.514 86.299 1. 00 19.09 0
ATOM 5400 CB MET B 275 27.909 28.247 88.721 1. 00 23.50 C
ATOM 5401 CG MET B 275 26.713 29.013 89.166 1. 00 25.61 C
ATOM 5402 SD MET B 275 27.133 30.672 89.654 1. 00 24.23 S
ATOM 5403 CE MET B 275 25.574 31.081 90.384 1. 00 28.02 C
ATOM 5404 N LEU B 276 29.659 25.569 88.140 1. 00 24.95 N
ATOM 5405 CA LEU B 276 30.880 25.106 87.499 1. 00 23.76 C
ATOM 5406 C LEU B 276 30.907 23.601 87.179 1. 00 22.79 C
ATOM 5407 0 LEU B 276 31.944 23.045 86.911 1. 00 23.21 0
ATOM 5408 CB LEU B 276 32.093 25.547 88.306 1. 00 25.16 C
ATOM 5409 CG LEU B 276 32.153 27.089 88.391 1. 00 32.05 C
ATOM 5410 CD1 LEU B 276 33.418 27.551 89.096 1. 00 25.93 C
ATOM 5411 CD2 LEU B 276 32.019 27.759 86.986 1. 00 28.82 C
ATOM 5412 N THR B 277 29.736 22.994 87.168 1. 00 24.11 N
ATOM 5413 CA THR B 277 29.552 21.577 86.836 1. 00 25.65 C
ATOM 5414 C THR B 277 30.258 21.227 85.515 1. 00 26.69 C
ATOM 5415 0 THR B 277 30.162 21.958 84.533 1. 00 26.93 0
ATOM 5416 CB THR B 277 28.064 21.273 86.721 1. 00 23.45 C
ATOM 5417 OG1 THR B 277 27.425 21.573 87.960 1. 00 25.80 0
ATOM 5418 CG2 THR B 277 27.795 19.807 86.317 1. 00 27.09 C
ATOM 5419 N GLY B 278 30.962 20.092 85.520 1. 00 29.89 N
ATOM 5420 CA GLY B 278 31.703 19.596 84.365 1. 00 23.17 C
ATOM 5421 C GLY B 278 33.186 19.889 84.505 1. 00 22.36 C
ATOM 5422 0 GLY B 278 33.640 20.420 85.518 1. 00 28.38 0
ATOM 5423 N ASP B 279 33.924 19.585 83.450 1. 00 24.40 N
ATOM 5424 CA ASP B 279 35.352 19.667 83.416 1. 00 26.48 C
ATOM 5425 C ASP B 279 35.789 21.043 82.940 1. 00 25.04 C
ATOM 5426 0 ASP B 279 35.442 21.459 81.842 1. 00 24.85 0
ATOM 5427 CB ASP B 279 35.870 18.643 82.412 1. 00 30.63 C
ATOM 5428 CG ASP B 279 37.400 18.506 82.420 1. 00 37.62 C
ATOM 5429 OD1 ASP B 279 38.122 19.392 82.949 1. 00 45.62 0
ATOM 5430 OD2 ASP B 279 37.879 17.501 81.857 1. 00 46.36 0
ATOM 5431 N GLU B 280 36.620 21.687 83.743 1. 00 26.43 N
ATOM 5432 CA GLU B 280 37.109 23.034 83.477 1. 00 31. 33 C
ATOM 5433 C GLU B 280 37.840 23.143 82.142 1. 00 30.20 C
ATOM 5434 0 GLU B 280 37.730 24.147 81.473 1. 00 30.37 0
ATOM 5435 CB GLU B 280 37.996 23.530 84.616 1. 00 28.13 C
ATOM 5436 CG GLU B 280 38.653 24.888 84.324 1. 00 42.03 C
ATOM 5437 CD GLU B 280 39.505 25.409 85.469 1. 00 39.87 C
ATOM 5438 OE1 GLU B 280 39.949 24.598 86.314 1. 00 55.82 0
ATOM 5439 OE2 GLU B 280 39.735 26.638 85.515 1. 00 57.74 0
ATOM 5440 N GLN B 281 38.572 22.106 81.752 1. 00 31. 46 N
ATOM 5441 CA GLN B 281 39.199 22.073 80.423 1. 00 33.89 C
ATOM 5442 C GLN B 281 38.154 22.127 79.293 1. 00 34.18 C
ATOM 5443 0 GLN B 281 38.460 22.574 78.188 1. 00 35.42 0
ATOM 5444 CB GLN B 281 40.087 20.826 80.266 1. 00 36.19 C

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Figure IA-IOO

Atom Type Residue # X Y Z Oee B Type

ATOM 5445 N VAL B 282 36.936 21.652 79.573 1. 00 32.36 N
ATOM 5446 CA VAL B 282 35.829 21. 71 7 78.619 1. 00 30.05 C
ATOM 5447 C VAL B 282 35.169 23.116 78.669 1. 00 28.40 C
ATOM 5448 0 VAL B 282 35.113 23.810 77.651 1. 00 29.03 0
ATOM 5449 CB VAL B 282 34.744 20.658 78.904 1. 00 30.15 C
ATOM 5450 CG1 VAL B 282 33.534 20.873 78.012 1. 00 25.50 C
ATOM 5451 CG2 VAL B 282 35.294 19.224 78.717 1. 00 34.00 C
ATOM 5452 N TRP B 283 34.674 23.513 79.842 1. 00 25.49 N
ATOM 5453 CA TRP B 283 33.942 24.783 79.957 1. 00 26.26 C
ATOM 5454 C TRP B 283 34.755 26.079 79.809 1. 00 28.18 C
ATOM 5455 0 TRP B 283 34.189 27.115 79.449 1. 00 29.04 0
ATOM 5456 CB TRP B 283 33.019 24.845 81.167 1. 00 24.58 C
ATOM 5457 CG TRP B 283 33.607 24.784 82.572 1. 00 25.57 C
ATOM 5458 CD1 TRP B 283 33.444 23.763 83.461 1. 00 25.46 C
ATOM 5459 NE1 TRP B 283 34.050 24.066 84.662 1. 00 29.86 N
ATOM 5460 CE2 TRP B 283 34.605 25.311 84.581 1. 00 31.89 C
ATOM 5461 CD2 TRP B 283 34.337 25.810 83.280 1. 00 28.89 C
ATOM 5462 CE3 TRP B 283 34.793 27.092 82.944 1. 00 30.86 C
ATOM 5463 CZ3 TRP B 283 35.513 27.822 83.906 1. 00 29.76 C
ATOM 5464 CH2 TRP B 283 35.765 27.293 85.175 1. 00 27.63 C
ATOM 5465 CZ2 TRP B 283 35.321 26.041 85.538 1. 00 29.02 C
ATOM 5466 N LYS B 284 36.054 26.025 80.091 1. 00 28.32 N
ATOM 5467 CA LYS B 284 36.950 27.158 79.814 1. 00 29.15 C
ATOM 5468 C LYS B 284 36.808 27.662 78.382 1. 00 28.07 C
ATOM 5469 0 LYS B 284 36.854 28.854 78.140 1. 00 26.78 0
ATOM 5470 CB LYS B 284 38.419 26.766 80.066 1. 00 30.58 C
ATOM 5471 N GLU B 285 36.628 26.742 77.442 1. 00 28.47 N
ATOM 5472 CA GLU B 285 36.532 27.078 76.024 1. 00 29.62 C
ATOM 5473 C GLU B 285 35.191 27.747 75.670 1. 00 28.06 C
ATOM 5474 0 GLU B 285 35.126 28.611 74.788 1. 00 23.62 0
ATOM 5475 CB GLU B 285 36.724 25.815 75.196 1. 00 32.44 C
ATOM 5476 CG GLU B 285 38.070 25.120 75.420 1. 00 44.91 C
ATOM 5477 CD GLU B 285 39.266 25.912 74.888 1. 00 55.99 C
ATOM 5478 OE1 GLU B 285 39.085 27.029 74.351 1. 00 59.92 0
ATOM 5479 OE2 GLU B 285 40.404 25.405 75.011 1. 00 64.35 0
ATOM 5480 N VAL B 286 34.143 27.326 76.378 1. 00 24.49 N
ATOM 5481 CA VAL B 286 32.828 27.908 76.258 1. 00 23.03 C
ATOM 5482 C VAL B 286 32.818 29.328 76.849 1. 00 22.12 C
ATOM 5483 0 VAL B 286 32.260 30.221 76.252 1. 00 22.32 0
ATOM 5484 CB VAL B 286 31.748 27.030 76.918 1. 00 20.36 C
ATOM 5485 CG1 VAL B 286 30.360 27.618 76.671 1. 00 20.90 C
ATOM 5486 CG2 VAL B 286 31.819 25.602 76.397 1. 00 28.92 C
ATOM 5487 N GLN B 287 33.432 29.500 78.017 1. 00 21.72 N
ATOM 5488 CA GLN B 287 33.663 30.814 78.636 1. 00 24.28 C
ATOM 5489 C GLN B 287 34.416 31.776 77.694 1. 00 25.21 C
ATOM 5490 0 GLN B 287 34.026 32.931 77.522 1. 00 26.99 0
ATOM 5491 CB GLN B 287 34.388 30.672 79.969 1. 00 24.41 C
ATOM 5492 CG GLN B 287 34.553 31.975 80.762 1. 00 24.78 C
ATOM 5493 CD GLN B 287 35.459 31.862 81.969 1. 00 25.81 C
ATOM 5494 OE1 GLN B 287 36.343 31.022 82.031 1. 00 34.96 0
ATOM 5495 NE2 GLN B 287 35.253 32.743 82.931 1. 00 29.98 N
ATOM 5496 N GLU B 288 35.455 31.286 77.040 1. 00 26.17 N
ATOM 5497 CA GLU B 288 36.198 32.121 76.117 1. 00 28.89 C
ATOM 5498 C GLU B 288 35.354 32.581 74.912 1. 00 28.76 C
ATOM 5499 0 GLU B 288 35.391 33.763 74.504 1. 00 27.35 0

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Figure IA-101

Atom Type Residue # X Y Z Oee B Type

ATOM 5500 CB GLU B 288 37.500 31.415 75.701 1. 00 30.63 C
ATOM 5501 CG GLU B 288 38.403 32.200 74.712 1. 00 41.62 C
ATOM 5502 CD GLU B 288 38.800 33.614 75.169 1. 00 49.00 C
ATOM 5503 OE1 GLU B 288 38.749 33.935 76.380 1. 00 54.83 0
ATOM 5504 OE2 GLU B 288 39.180 34.415 74.294 1. 00 53.29 0
ATOM 5505 N SER B 289 34.578 31.658 74.360 1. 00 27.78 N
ATOM 5506 CA SER B 289 33.776 31.931 73.180 1. 00 26.33 C
ATOM 5507 C SER B 289 32.638 32.913 73.446 1. 00 26.06 C
ATOM 5508 0 SER B 289 32.206 33.654 72.538 1. 00 23.94 0
ATOM 5509 CB SER B 289 33.204 30.632 72.648 1. 00 25.62 C
ATOM 5510 OG SER B 289 34.255 29.795 72.228 1. 00 31.93 0
ATOM 5511 N LEU B 290 32.148 32.905 74.683 1. 00 22.52 N
ATOM 5512 CA LEU B 290 31.075 33.812 75.071 1. 00 23.31 C
ATOM 5513 C LEU B 290 31.448 35.296 74.961 1. 00 24.01 C
ATOM 5514 0 LEU B 290 30.571 36.141 74.875 1. 00 26.03 0
ATOM 5515 CB LEU B 290 30.579 33.498 76.481 1. 00 21. 20 C
ATOM 5516 CG LEU B 290 29.501 32.450 76.661 1. 00 18.09 C
ATOM 5517 CD1 LEU B 290 29.439 32.096 78.198 1. 00 16.82 C
ATOM 5518 CD2 LEU B 290 28.167 32.971 76.163 1. 00 21.59 C
ATOM 5519 N LYS B 291 32.736 35.615 74.959 1. 00 24.74 N
ATOM 5520 CA LYS B 291 33.142 37.008 74.802 1. 00 28.08 C
ATOM 5521 C LYS B 291 32.662 37.513 73.426 1. 00 25.56 C
ATOM 5522 0 LYS B 291 32.048 38.555 73.326 1. 00 22.20 0
ATOM 5523 CB LYS B 291 34.660 37.186 74.984 1. 00 24.07 C
ATOM 5524 CG LYS B 291 35.201 36.713 76.334 1. 00 34.56 C
ATOM 5525 CD LYS B 291 36.687 37.052 76.485 1. 00 34.42 C
ATOM 5526 CE LYS B 291 37.227 36.630 77.850 1. 00 49.69 C
ATOM 5527 NZ LYS B 291 38.556 37.252 78.153 1. 00 56.56 N
ATOM 5528 N LYS B 292 32.908 36.742 72.370 1. 00 24.61 N
ATOM 5529 CA LYS B 292 32.494 37.169 71.055 1. 00 25.39 C
ATOM 5530 C LYS B 292 30.993 37.004 70.850 1. 00 24.44 C
ATOM 5531 0 LYS B 292 30.376 37.852 70.205 1. 00 23.24 0
ATOM 5532 CB LYS B 292 33.289 36.446 69.966 1. 00 25.10 C
ATOM 5533 CG LYS B 292 32.892 36.839 68.541 1. 00 36.17 C
ATOM 5534 CD LYS B 292 33.269 38.281 68.223 1. 00 46.47 C
ATOM 5535 CE LYS B 292 32.749 38.712 66.852 1. 00 57.31 C
ATOM 5536 NZ LYS B 292 33.383 37.959 65.731 1. 00 62.83 N
ATOM 5537 N ILE B 293 30.410 35.926 71.407 1. 00 20.60 N
ATOM 5538 CA ILE B 293 28.974 35.700 71.328 1. 00 19.92 C
ATOM 5539 C ILE B 293 28.208 36.882 71.927 1. 00 19.66 C
ATOM 5540 0 ILE B 293 27.262 37.387 71.309 1. 00 18.62 0
ATOM 5541 CB ILE B 293 28.526 34.335 72.021 1. 00 15.43 C
ATOM 5542 CG1 ILE B 293 29.091 33.144 71.241 1. 00 24.14 C
ATOM 5543 CD1 ILE B 293 28.960 31.847 71.971 1. 00 21. 37 C
ATOM 5544 CG2 ILE B 293 26.971 34.238 72.104 1. 00 17.26 C
ATOM 5545 N GLU B 294 28.635 37.315 73.118 1. 00 21. 36 N
ATOM 5546 CA GLU B 294 27.985 38.411 73.837 1. 00 22.32 C
ATOM 5547 C GLU B 294 28.111 39.746 73.085 1. 00 21.50 C
ATOM 5548 0 GLU B 294 27.171 40.510 73.053 1. 00 21.81 0
ATOM 5549 CB GLU B 294 28.471 38.514 75.288 1. 00 21. 38 C
ATOM 5550 CG GLU B 294 27.905 37.411 76.200 1. 00 27.39 C
ATOM 5551 CD GLU B 294 28.504 37.397 77.616 1. 00 31. 48 C
ATOM 5552 OE1 GLU B 294 29.411 38.218 77.897 1. 00 49.53 0
ATOM 5553 OE2 GLU B 294 28.087 36.554 78.455 1. 00 40.73 0
ATOM 5554 N GLU B 295 29.258 39.988 72.453 1. 00 23.93 N

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Figure IA-I02

Atom Type Residue # X Y Z Oee B Type

ATOM 5555 CA GLU B 295 29.436 41.140 71.565 1. 00 24.25 C
ATOM 5556 C GLU B 295 28.494 41.111 70.361 1. 00 21.74 C
ATOM 5557 0 GLU B 295 27.869 42.115 70.050 1. 00 24.84 0
ATOM 5558 CB GLU B 295 30.900 41.249 71.097 1. 00 27.13 C
ATOM 5559 CG GLU B 295 31.215 42.511 70.308 1. 00 24.47 C
ATOM 5560 N LEU B 296 28.449 39.990 69.647 1. 00 21.58 N
ATOM 5561 CA LEU B 296 27.534 39.814 68.516 1. 00 18.95 C
ATOM 5562 C LEU B 296 26.090 40.034 68.937 1. 00 18.45 C
ATOM 5563 0 LEU B 296 25.343 40.721 68.257 1. 00 18.53 0
ATOM 5564 CB LEU B 296 27.689 38.387 67.917 1. 00 23.28 C
ATOM 5565 CG LEU B 296 28.873 38.125 66.967 1. 00 20.87 C
ATOM 5566 CD1 LEU B 296 29.005 36.664 66.639 1. 00 27.31 C
ATOM 5567 CD2 LEU B 296 28.789 38.956 65.686 1. 00 30.06 C
ATOM 5568 N LYS B 297 25.684 39.443 70.060 1. 00 17.36 N
ATOM 5569 CA LYS B 297 24.340 39.671 70.587 1. 00 16.14 C
ATOM 5570 C LYS B 297 24.082 41.170 70.934 1. 00 17.16 C
ATOM 5571 0 LYS B 297 23.010 41.713 70.654 1. 00 18.22 0
ATOM 5572 CB LYS B 297 24.108 38.775 71.814 1. 00 20.72 C
ATOM 5573 CG LYS B 297 22.874 39.113 72.607 1. 00 25.04 C
ATOM 5574 CD LYS B 297 22.774 38.243 73.819 1. 00 31.14 C
ATOM 5575 CE LYS B 297 21.366 38.245 74.339 1. 00 37.48 C
ATOM 5576 NZ LYS B 297 21.140 39.272 75.365 1. 00 45.66 N
ATOM 5577 N ALA B 298 25.079 41.830 71.504 1. 00 20.31 N
ATOM 5578 CA ALA B 298 24.951 43.228 71.883 1. 00 20.33 C
ATOM 5579 C ALA B 298 24.662 44.083 70.633 1. 00 22.06 C
ATOM 5580 0 ALA B 298 23.939 45.060 70.724 1. 00 22.30 0
ATOM 5581 CB ALA B 298 26.173 43.704 72.586 1. 00 21.58 C
ATOM 5582 N HIS B 299 25.174 43.642 69.481 1. 00 23.05 N
ATOM 5583 CA HIS B 299 24.906 44.279 68.187 1. 00 22.42 C
ATOM 5584 C HIS B 299 23.720 43.722 67.421 1. 00 21. 46 C
ATOM 5585 0 HIS B 299 23.499 44.096 66.275 1. 00 23.36 0
ATOM 5586 CB HIS B 299 26.177 44.298 67.335 1. 00 18.90 C
ATOM 5587 CG HIS B 299 27.199 45.266 67.832 1. 00 25.12 C
ATOM 5588 ND1 HIS B 299 28.031 44.981 68.896 1. 00 28.66 N
ATOM 5589 CE1 HIS B 299 28.814 46.021 69.133 1. 00 16.43 C
ATOM 5590 NE2 HIS B 299 28.519 46.970 68.257 1. 00 22.57 N
ATOM 5591 CD2 HIS B 299 27.510 46.529 67.434 1. 00 19.31 C
ATOM 5592 N TRP B 300 22.955 42.820 68.054 1. 00 20.49 N
ATOM 5593 CA TRP B 300 21.781 42.194 67.433 1. 00 19.34 C
ATOM 5594 C TRP B 300 22.144 41.395 66.164 1. 00 20.13 C
ATOM 5595 0 TRP B 300 21.341 41.302 65.256 1. 00 20.98 0
ATOM 5596 CB TRP B 300 20.689 43.238 67.104 1. 00 21.81 C
ATOM 5597 CG TRP B 300 20.102 44.020 68.292 1. 00 15.75 C
ATOM 5598 CD1 TRP B 300 20.755 44.860 69.125 1. 00 18.36 C
ATOM 5599 NE1 TRP B 300 19.897 45.386 70.039 1. 00 24.37 N
ATOM 5600 CE2 TRP B 300 18.644 44.897 69.802 1. 00 19.80 C
ATOM 5601 CD2 TRP B 300 18.741 44.031 68.695 1. 00 19.63 C
ATOM 5602 CE3 TRP B 300 17.588 43.390 68.229 1. 00 15.95 C
ATOM 5603 CZ3 TRP B 300 16.394 43.614 68.882 1. 00 23.54 C
ATOM 5604 CH2 TRP B 300 16.320 44.505 69.986 1. 00 25.03 C
ATOM 5605 CZ2 TRP B 300 17.441 45.138 70.461 1. 00 17.57 C
ATOM 5606 N LYS B 301 23.327 40.805 66.130 1. 00 19.86 N
ATOM 5607 CA LYS B 301 23.754 40.002 64.976 1. 00 21.02 C
ATOM 5608 C LYS B 301 23.326 38.562 65.193 1. 00 19.11 C
ATOM 5609 0 LYS B 301 24.169 37.720 65.446 1. 00 18.95 0

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Figure 1A-103

Atom Type Residue # X Y Z Oee B Type

ATOM 5610 CB LYS B 301 25.264 40.014 64.806 1. 00 21. 45 C
ATOM 5611 CG LYS B 301 25.986 41.365 64.825 1. 00 29.75 C
ATOM 5612 CD LYS B 301 25.898 42.090 63.522 1. 00 34.96 C
ATOM 5613 CE LYS B 301 26.863 43.267 63.534 1. 00 51. 35 C
ATOM 5614 NZ LYS B 301 26.858 44.007 62.241 1. 00 58.53 N
ATOM 5615 N TRP B 302 22.027 38.298 65.057 1. 00 20.59 N
ATOM 5616 CA TRP B 302 21.413 37.042 65.472 1. 00 20.90 C
ATOM 5617 C TRP B 302 21.872 35.816 64.695 1. 00 20.53 C
ATOM 5618 0 TRP B 302 22.081 34.740 65.263 1. 00 21.19 0
ATOM 5619 CB TRP B 302 19.894 37.172 65.385 1. 00 21.82 C
ATOM 5620 CG TRP B 302 19.365 38.237 66.262 1. 00 25.35 C
ATOM 5621 CD1 TRP B 302 18.624 39.320 65.891 1. 00 26.97 C
ATOM 5622 NE1 TRP B 302 18.356 40.101 66.981 1. 00 25.44 N
ATOM 5623 CE2 TRP B 302 18.924 39.532 68.084 1. 00 23.90 C
ATOM 5624 CD2 TRP B 302 19.581 38.360 67.666 1. 00 19.62 C
ATOM 5625 CE3 TRP B 302 20.268 37.592 68.611 1. 00 17.02 C
ATOM 5626 CZ3 TRP B 302 20.249 37.991 69.936 1. 00 24.34 C
ATOM 5627 CH2 TRP B 302 19.575 39.158 70.319 1. 00 23.68 C
ATOM 5628 CZ2 TRP B 302 18.908 39.939 69.405 1. 00 19.65 C
ATOM 5629 N GLU B 303 21.999 35.967 63.384 1. 00 24.48 N
ATOM 5630 CA GLU B 303 22.505 34.875 62.556 1. 00 26.28 C
ATOM 5631 C GLU B 303 23.874 34.395 62.999 1. 00 23.43 C
ATOM 5632 0 GLU B 303 24.068 33.199 63.137 1. 00 26.34 0
ATOM 5633 CB GLU B 303 22.494 35.265 61.074 1. 00 25.47 C
ATOM 5634 CG GLU B 303 21.108 35.437 60.519 1. 00 40.03 C
ATOM 5635 CD GLU B 303 21.113 36.029 59.115 1. 00 58.33 C
ATOM 5636 OE1 GLU B 303 21.723 35.413 58.209 1. 00 63.17 0
ATOM 5637 OE2 GLU B 303 20.507 37.111 58.924 1. 00 63.07 0
ATOM 5638 N GLN B 304 24.804 35.319 63.243 1. 00 22.36 N
ATOM 5639 CA GLN B 304 26.159 34.995 63.683 1. 00 20.77 C
ATOM 5640 C GLN B 304 26.210 34.440 65.107 1. 00 20.50 C
ATOM 5641 0 GLN B 304 26.984 33.535 65.368 1. 00 19.61 0
ATOM 5642 CB GLN B 304 27.115 36.187 63.566 1. 00 26.49 C
ATOM 5643 CG GLN B 304 27.173 36.845 62.197 1. 00 28.21 C
ATOM 5644 CD GLN B 304 27.933 38.132 62.227 1. 00 33.90 C
ATOM 5645 OE1 GLN B 304 29.122 38.156 62.562 1. 00 49.48 0
ATOM 5646 NE2 GLN B 304 27.260 39.224 61.883 1. 00 37.03 N
ATOM 5647 N VAL B 305 25.340 34.946 65.990 1. 00 22.33 N
ATOM 5648 CA VAL B 305 25.146 34.376 67.345 1. 00 19.06 C
ATOM 5649 C VAL B 305 24.747 32.900 67.259 1. 00 18.76 C
ATOM 5650 0 VAL B 305 25.376 32.050 67.862 1. 00 22.56 0
ATOM 5651 CB VAL B 305 24.054 35.152 68.141 1. 00 16.86 C
ATOM 5652 CG1 VAL B 305 23.656 34.414 69.422 1. 00 20.23 C
ATOM 5653 CG2 VAL B 305 24.526 36.536 68.431 1. 00 16.18 C
ATOM 5654 N LEU B 306 23.702 32.629 66.498 1. 00 19.13 N
ATOM 5655 CA LEU B 306 23.161 31.306 66.400 1. 00 20.64 C
ATOM 5656 C LEU B 306 24.177 30.341 65.786 1. 00 22.63 C
ATOM 5657 0 LEU B 306 24.377 29.238 66.320 1. 00 23.92 0
ATOM 5658 CB LEU B 306 21.835 31.323 65.644 1. 00 20.55 C
ATOM 5659 CG LEU B 306 21.186 29.935 65.504 1. 00 21.68 C
ATOM 5660 CD1 LEU B 306 20.925 29.280 66.889 1. 00 22.72 C
ATOM 5661 CD2 LEU B 306 19.948 30.109 64.744 1. 00 17.44 C
ATOM 5662 N ALA B 307 24.831 30.756 64.696 1. 00 25.25 N
ATOM 5663 CA ALA B 307 25.924 29.970 64.128 1. 00 25.53 C
ATOM 5664 C ALA B 307 26.966 29.571 65.180 1. 00 27.38 C

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Figure IA-I04

Atom Type Residue # X Y Z Oee B Type

ATOM 5665 0 ALA B 307 27.292 28.392 65.281 1. 00 25.39 0
ATOM 5666 CB ALA B 307 26.586 30.677 62.933 1. 00 23.77 C
ATOM 5667 N MET B 308 27.478 30.530 65.963 1. 00 24.34 N
ATOM 5668 CA MET B 308 28.473 30.213 66.978 1. 00 24.66 C
ATOM 5669 C MET B 308 27.881 29.299 68.057 1. 00 23.00 C
ATOM 5670 0 MET B 308 28.495 28.306 68.416 1. 00 26.39 0
ATOM 5671 CB MET B 308 29.081 31.468 67.626 1. 00 23.10 C
ATOM 5672 CG MET B 308 30.118 32.202 66.779 1. 00 32.61 C
ATOM 5673 SD MET B 308 31.056 33.496 67.651 1. 00 30.61 S
ATOM 5674 CE MET B 308 31.968 32.528 68.872 1. 00 36.98 C
ATOM 5675 N CYS B 309 26.688 29.637 68.556 1. 00 22.00 N
ATOM 5676 CA CYS B 309 26.063 28.890 69.634 1. 00 22.92 C
ATOM 5677 C CYS B 309 25.728 27.458 69.229 1. 00 22.12 C
ATOM 5678 0 CYS B 309 25.990 26.563 70.008 1. 00 21.54 0
ATOM 5679 CB CYS B 309 24.809 29.612 70.166 1. 00 22.73 C
ATOM 5680 SG CYS B 309 25.145 31.122 71.046 1. 00 24.26 S
ATOM 5681 N GLN B 310 25.184 27.259 68.019 1. 00 26.04 N
ATOM 5682 CA GLN B 310 24.893 25.889 67.464 1. 00 27.65 C
ATOM 5683 C GLN B 310 26.090 24.983 67.499 1. 00 26.60 C
ATOM 5684 0 GLN B 310 25.996 23.824 67.920 1. 00 30.68 0
ATOM 5685 CB GLN B 310 24.435 25.944 66.007 1. 00 26.49 C
ATOM 5686 CG GLN B 310 23.022 26.317 65.850 1. 00 34.83 C
ATOM 5687 CD GLN B 310 22.593 26.503 64.384 1. 00 29.55 C
ATOM 5688 OE1 GLN B 310 21.416 26.547 64.112 1. 00 34.81 0
ATOM 5689 NE2 GLN B 310 23.546 26.644 63.464 1. 00 38.02 N
ATOM 5690 N ALA B 311 27.214 25.509 67.043 1. 00 26.79 N
ATOM 5691 CA ALA B 311 28.445 24.752 66.987 1. 00 27.15 C
ATOM 5692 C ALA B 311 28.920 24.371 68.385 1. 00 28.04 C
ATOM 5693 0 ALA B 311 29.292 23.242 68.608 1. 00 30.54 0
ATOM 5694 CB ALA B 311 29.505 25.531 66.241 1. 00 28.83 C
ATOM 5695 N ILE B 312 28.882 25.316 69.328 1. 00 29.09 N
ATOM 5696 CA ILE B 312 29.261 25.052 70.706 1. 00 27.18 C
ATOM 5697 C ILE B 312 28.338 24.028 71.374 1. 00 25.00 C
ATOM 5698 0 ILE B 312 28.812 23.126 72.075 1. 00 28.32 0
ATOM 5699 CB ILE B 312 29.354 26.372 71.548 1. 00 25.75 C
ATOM 5700 CG1 ILE B 312 30.569 27.164 71.108 1. 00 27.52 C
ATOM 5701 CD1 ILE B 312 30.569 28.588 71.517 1. 00 32.18 C
ATOM 5702 CG2 ILE B 312 29.490 26.060 73.022 1. 00 24.01 C
ATOM 5703 N ILE B 313 27.032 24.139 71 .140 1. 00 22.20 N
ATOM 5704 CA ILE B 313 26.089 23.270 71.811 1. 00 22.39 C
ATOM 5705 C ILE B 313 26.210 21.837 71.300 1. 00 25.30 C
ATOM 5706 0 ILE B 313 26.290 20.929 72.084 1. 00 26.42 0
ATOM 5707 CB ILE B 313 24.659 23.767 71.700 1. 00 21. 30 C
ATOM 5708 CG1 ILE B 313 24.525 25.133 72.424 1. 00 23.39 C
ATOM 5709 CD1 ILE B 313 23.299 25.942 72.041 1. 00 35.02 C
ATOM 5710 CG2 ILE B 313 23.702 22.802 72.318 1. 00 20.07 C
ATOM 5711 N SER B 314 26.211 21.658 69.990 1. 00 29.75 N
ATOM 5712 CA SER B 314 26.393 20.322 69.411 1. 00 30.49 C
ATOM 5713 C SER B 314 27.743 19.722 69.776 1. 00 28.92 C
ATOM 5714 0 SER B 314 27.811 18.559 70.175 1. 00 34.44 0
ATOM 5715 CB SER B 314 26.179 20.340 67.891 1. 00 31. 44 C
ATOM 5716 OG SER B 314 26.893 21.391 67.272 1. 00 41.77 0
ATOM 5717 N SER B 315 28.822 20.486 69.665 1. 00 27.97 N
ATOM 5718 CA SER B 315 30.137 19.924 69.933 1. 00 28.47 C
ATOM 5719 C SER B 315 30.337 19.424 71.384 1. 00 27.69 C

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Figure lA-lOS

Atom Type Residue # X Y Z Oee B Type

ATOM 5720 0 SER B 315 31.111 18.508 71.621 1. 00 30.18 0
ATOM 5721 CB SER B 315 31.234 20.896 69.548 1. 00 25.21 C
ATOM 5722 OG SER B 315 31.427 21.847 70.589 1. 00 38.09 0
ATOM 5723 N ASN B 316 29.648 20.018 72.350 1. 00 30.22 N
ATOM 5724 CA ASN B 316 29.793 19.601 73.762 1. 00 28.34 C
ATOM 5725 C ASN B 316 28.688 18.742 74.384 1. 00 23.39 C
ATOM 5726 0 ASN B 316 28.695 18.563 75.600 1. 00 23.59 0
ATOM 5727 CB ASN B 316 30.011 20.832 74.651 1. 00 29.84 C
ATOM 5728 CG ASN B 316 31.400 21.396 74.509 1. 00 30.23 C
ATOM 5729 OD1 ASN B 316 32.358 20.659 74.322 1. 00 41.89 0
ATOM 5730 ND2 ASN B 316 31.516 22.713 74.591 1. 00 43.18 N
ATOM 5731 N SER B 317 27.768 18.209 73.573 1. 00 19.28 N
ATOM 5732 CA SER B 317 26.571 17.510 74.069 1. 00 23.29 C
ATOM 5733 C SER B 317 26.873 16.206 74.822 1. 00 21.82 C
ATOM 5734 0 SER B 317 26.050 15.734 75.574 1. 00 25.28 0
ATOM 5735 CB SER B 317 25.599 17.189 72.940 1. 00 22.26 C
ATOM 5736 OG SER B 317 26.221 16.341 71.995 1. 00 29.45 0
ATOM 5737 N GLU B 318 28.048 15.648 74.579 1. 00 22.81 N
ATOM 5738 CA GLU B 318 28.450 14.383 75.187 1. 00 23.18 C
ATOM 5739 C GLU B 318 29.197 14.564 76.530 1. 00 23.69 C
ATOM 5740 0 GLU B 318 29.373 13.598 77.278 1. 00 26.05 0
ATOM 5741 CB GLU B 318 29.280 13.595 74.189 1. 00 17.51 C
ATOM 5742 CG GLU B 318 28.411 12.861 73.172 1. 00 23.23 C
ATOM 5743 CD GLU B 318 29.212 12.141 72.106 1. 00 25.08 C
ATOM 5744 OE1 GLU B 318 30.447 12.100 72.178 1. 00 26.32 0
ATOM 5745 OE2 GLU B 318 28.578 11.624 71.186 1. 00 32.21 0
ATOM 5746 N ARG B 319 29.593 15.805 76.830 1. 00 25.28 N
ATOM 5747 CA ARG B 319 30.500 16.121 77.917 1. 00 23.46 C
ATOM 5748 C ARG B 319 30.059 17.211 78.912 1. 00 24.44 C
ATOM 5749 0 ARG B 319 30.377 17.123 80.089 1. 00 22.77 0
ATOM 5750 CB ARG B 319 31.862 16.509 77.350 1. 00 26.08 C
ATOM 5751 N LEU B 320 29.376 18.259 78.451 1. 00 23.16 N
ATOM 5752 CA LEU B 320 29.081 19.387 79.364 1. 00 23.18 C
ATOM 5753 C LEU B 320 27.596 19.591 79.667 1. 00 19.40 C
ATOM 5754 0 LEU B 320 26.820 19.828 78.765 1. 00 25.34 0
ATOM 5755 CB LEU B 320 29.682 20.666 78.775 1. 00 20.03 C
ATOM 5756 CG LEU B 320 29.800 21.927 79.624 1. 00 25.87 C
ATOM 5757 CD1 LEU B 320 30.740 21.730 80.827 1. 00 18.02 C
ATOM 5758 CD2 LEU B 320 30.313 23.056 78.725 1. 00 24.07 C
ATOM 5759 N PRO B 321 27.199 19.502 80.955 1. 00 23.18 N
ATOM 5760 CA PRO B 321 25.839 19.697 81.363 1. 00 21. 28 C
ATOM 5761 C PRO B 321 25.336 21.143 81.151 1. 00 20.20 C
ATOM 5762 0 PRO B 321 26.105 22.086 81.222 1. 00 23.68 0
ATOM 5763 CB PRO B 321 25.887 19.382 82.864 1. 00 21. 20 C
ATOM 5764 CG PRO B 321 27.056 18.446 83.003 1. 00 23.69 C
ATOM 5765 CD PRO B 321 28.038 19.121 82.109 1. 00 23.42 C
ATOM 5766 N ASP B 322 24.039 21.273 80.955 1. 00 23.70 N
ATOM 5767 CA ASP B 322 23.399 22.570 80.688 1. 00 23.52 C
ATOM 5768 C ASP B 322 23.380 23.486 81.910 1. 00 23.15 C
ATOM 5769 0 ASP B 322 23.131 24.679 81.789 1. 00 25.00 0
ATOM 5770 CB ASP B 322 21.965 22.345 80.215 1. 00 23.20 C
ATOM 5771 CG ASP B 322 21.881 21.686 78.869 1. 00 20.83 C
ATOM 5772 OD1 ASP B 322 22.852 21.716 78.080 1. 00 23.04 0
ATOM 5773 OD2 ASP B 322 20.784 21.193 78.576 1. 00 18.36 0
ATOM 5774 N ILE B 323 23.623 22.928 83.081 1. 00 24.91 N

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Figure IA-I06

Atom Type Residue # X Y Z Oee B Type

ATOM 5775 CA ILE B 323 23.576 23.685 84.319 1. 00 24.50 C
ATOM 5776 C ILE B 323 24.867 24.501 84.503 1. 00 21.53 C
ATOM 5777 0 ILE B 323 24.860 25.506 85.210 1. 00 26.04 0
ATOM 5778 CB ILE B 323 23.302 22.778 85.556 1. 00 23.91 C
ATOM 5779 CG1 ILE B 323 22.927 23.644 86.773 1. 00 17.71 C
ATOM 5780 CD1 ILE B 323 22.377 22.859 87.970 1. 00 26.54 C
ATOM 5781 CG2 ILE B 323 24.556 21.860 85.849 1. 00 21.53 C
ATOM 5782 N ASN B 324 25.958 24.082 83.865 1. 00 18.01 N
ATOM 5783 CA ASN B 324 27.168 24.870 83.816 1. 00 17.81 C
ATOM 5784 C ASN B 324 26.838 26.274 83.257 1. 00 18.53 C
ATOM 5785 0 ASN B 324 26.262 26.386 82.190 1. 00 22.30 0
ATOM 5786 CB ASN B 324 28.175 24.218 82.882 1. 00 19.54 C
ATOM 5787 CG ASN B 324 29.422 25.041 82.730 1. 00 19.05 C
ATOM 5788 OD1 ASN B 324 29.504 25.906 81.857 1. 00 19.89 0
ATOM 5789 ND2 ASN B 324 30.418 24.754 83.548 1. 00 22.72 N
ATOM 5790 N ILE B 325 27.220 27.329 83.956 1. 00 19.32 N
ATOM 5791 CA ILE B 325 26.695 28.655 83.610 1. 00 17.78 C
ATOM 5792 C ILE B 325 27.128 29.163 82.230 1. 00 17.86 C
ATOM 5793 0 ILE B 325 26.450 30.022 81.653 1. 00 21. 30 0
ATOM 5794 CB ILE B 325 27.004 29.721 84.681 1. 00 16.38 C
ATOM 5795 CG1 ILE B 325 28.492 29.714 85.047 1. 00 17.25 C
ATOM 5796 CD1 ILE B 325 29.015 30.976 85.646 1. 00 14.77 C
ATOM 5797 CG2 ILE B 325 26.055 29.589 85.868 1. 00 23.31 C
ATOM 5798 N TYR B 326 28.253 28.676 81.723 1. 00 17.19 N
ATOM 5799 CA TYR B 326 28.763 29.093 80.416 1. 00 16.91 C
ATOM 5800 C TYR B 326 27.970 28.434 79.320 1. 00 18.78 C
ATOM 5801 0 TYR B 326 27.480 29.092 78.422 1. 00 21. 48 0
ATOM 5802 CB TYR B 326 30.294 28.874 80.336 1. 00 21. 38 C
ATOM 5803 CG TYR B 326 30.989 29.498 81.532 1. 00 24.15 C
ATOM 5804 CD1 TYR B 326 30.988 30.889 81.725 1. 00 25.04 C
ATOM 5805 CE1 TYR B 326 31.581 31.463 82.864 1. 00 25.24 C
ATOM 5806 CZ TYR B 326 32.176 30.656 83.798 1. 00 23.70 C
ATOM 5807 OH TYR B 326 32.750 31.197 84.935 1. 00 27.75 0
ATOM 5808 CE2 TYR B 326 32.168 29.274 83.634 1. 00 28.04 C
ATOM 5809 CD2 TYR B 326 31.566 28.708 82.519 1. 00 18.05 C
ATOM 5810 N GLN B 327 27.766 27.124 79.441 1. 00 20.73 N
ATOM 5811 CA GLN B 327 26.865 26.413 78.574 1. 00 20.30 C
ATOM 5812 C GLN B 327 25.463 27.027 78.642 1. 00 21. 37 C
ATOM 5813 0 GLN B 327 24.830 27.186 77.620 1. 00 23.39 0
ATOM 5814 CB GLN B 327 26.845 24.908 78.943 1. 00 19.58 C
ATOM 5815 CG GLN B 327 25.971 24.050 77.996 1. 00 23.31 C
ATOM 5816 CD GLN B 327 26.739 23.513 76.810 1. 00 33.55 C
ATOM 5817 OE1 GLN B 327 27.369 24.260 76.068 1. 00 50.57 0
ATOM 5818 NE2 GLN B 327 26.702 22.192 76.633 1. 00 52.38 N
ATOM 5819 N LEU B 328 24.998 27.392 79.847 1. 00 20.90 N
ATOM 5820 CA LEU B 328 23.653 27.925 80.028 1. 00 17.79 C
ATOM 5821 C LEU B 328 23.488 29.292 79.300 1. 00 17.78 C
ATOM 5822 0 LEU B 328 22.488 29.536 78.624 1. 00 17.15 0
ATOM 5823 CB LEU B 328 23.317 28.040 81.528 1. 00 17.56 C
ATOM 5824 CG LEU B 328 21.974 28.601 81.956 1. 00 15.08 C
ATOM 5825 CD1 LEU B 328 20.825 27.735 81.395 1. 00 18.99 C
ATOM 5826 CD2 LEU B 328 21.905 28.654 83.482 1. 00 17.64 C
ATOM 5827 N LYS B 329 24.493 30.150 79.419 1. 00 18.64 N
ATOM 5828 CA LYS B 329 24.490 31.437 78.746 1. 00 19.26 C
ATOM 5829 C LYS B 329 24.488 31.251 77.202 1. 00 19.79 C

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Figure IA-I07

Atom Type Residue # X Y Z Oee B Type

ATOM 5830 0 LYS B 329 23.839 32.023 76.470 1. 00 19.11 0
ATOM 5831 CB LYS B 329 25.687 32.265 79.221 1. 00 17.61 C
ATOM 5832 CG LYS B 329 25.577 32.816 80.666 1. 00 21.15 C
ATOM 5833 CD LYS B 329 26.961 33.374 81.057 1. 00 21.57 C
ATOM 5834 CE LYS B 329 27.035 33.889 82.454 1. 00 38.54 C
ATOM 5835 NZ LYS B 329 26.823 35.370 82.556 1. 00 50.88 N
ATOM 5836 N VAL B 330 25.151 30.193 76.736 1. 00 19.61 N
ATOM 5837 CA VAL B 330 25.163 29.833 75.311 1. 00 18.71 C
ATOM 5838 C VAL B 330 23.781 29.369 74.833 1. 00 16.89 C
ATOM 5839 0 VAL B 330 23.328 29.744 73.742 1. 00 17.41 0
ATOM 5840 CB VAL B 330 26.313 28.828 74.965 1. 00 22.91 C
ATOM 5841 CG1 VAL B 330 26.189 28.287 73.555 1. 00 20.66 C
ATOM 5842 CG2 VAL B 330 27.668 29.503 75.110 1. 00 22.93 C
ATOM 5843 N LEU B 331 23.112 28.569 75.663 1. 00 18.59 N
ATOM 5844 CA LEU B 331 21.762 28.124 75.369 1. 00 17.95 C
ATOM 5845 C LEU B 331 20.790 29.308 75.354 1. 00 18.75 C
ATOM 5846 0 LEU B 331 19.898 29.364 74.526 1. 00 19.83 0
ATOM 5847 CB LEU B 331 21.294 27.088 76.385 1. 00 16.78 C
ATOM 5848 CG LEU B 331 21.852 25.653 76.301 1. 00 15.13 C
ATOM 5849 CD1 LEU B 331 21.637 25.007 77.667 1. 00 21.90 C
ATOM 5850 CD2 LEU B 331 21. 217 24.875 75.181 1. 00 23.36 C
ATOM 5851 N ASP B 332 20.922 30.190 76.334 1. 00 18.66 N
ATOM 5852 CA ASP B 332 20.081 31.373 76.407 1. 00 20.21 C
ATOM 5853 C ASP B 332 20.302 32.270 75.159 1. 00 17.45 C
ATOM 5854 0 ASP B 332 19.359 32.763 74.618 1. 00 17.55 0
ATOM 5855 CB ASP B 332 20.329 32.127 77.691 1. 00 21. 30 C
ATOM 5856 CG ASP B 332 19.484 33.367 77.791 1. 00 28.35 C
ATOM 5857 OD1 ASP B 332 18.235 33.241 77.900 1. 00 30.24 0
ATOM 5858 OD2 ASP B 332 20.070 34.466 77.714 1. 00 32.95 0
ATOM 5859 N CYS B 333 21.541 32.419 74.710 1. 00 17.05 N
ATOM 5860 CA CYS B 333 21.837 33.241 73.527 1. 00 19.22 C
ATOM 5861 C CYS B 333 21.281 32.612 72.269 1. 00 19.22 C
ATOM 5862 0 CYS B 333 20.780 33.322 71.412 1. 00 18.94 0
ATOM 5863 CB CYS B 333 23.332 33.508 73.339 1. 00 16.79 C
ATOM 5864 SG CYS B 333 24.082 34.616 74.502 1. 00 22.61 S
ATOM 5865 N ALA B 334 21.376 31.291 72.170 1. 00 17.99 N
ATOM 5866 CA ALA B 334 20.771 30.539 71.062 1. 00 19.03 C
ATOM 5867 C ALA B 334 19.249 30.671 71.010 1. 00 19.09 C
ATOM 5868 0 ALA B 334 18.686 30.869 69.948 1. 00 20.61 0
ATOM 5869 CB ALA B 334 21.193 29.028 71 .151 1. 00 21. 29 C
ATOM 5870 N MET B 335 18.590 30.529 72.166 1. 00 17.87 N
ATOM 5871 CA MET B 335 17.149 30.762 72.296 1. 00 16.26 C
ATOM 5872 C MET B 335 16.741 32.163 71.847 1. 00 16.35 C
ATOM 5873 0 MET B 335 15.856 32.307 70.990 1. 00 20.35 0
ATOM 5874 CB MET B 335 16.693 30.523 73.743 1. 00 15.53 C
ATOM 5875 CG MET B 335 15.220 30.811 73.955 1. 00 16.45 C
ATOM 5876 SD MET B 335 14.701 31.193 75.611 1. 00 22.92 S
ATOM 5877 CE MET B 335 15.327 32.863 75.828 1. 00 21.89 C
ATOM 5878 N ASP B 336 17.379 33.195 72.393 1. 00 13.97 N
ATOM 5879 CA ASP B 336 17.098 34.572 71.926 1. 00 18.43 C
ATOM 5880 C ASP B 336 17.385 34.813 70.423 1. 00 16.08 C
ATOM 5881 0 ASP B 336 16.634 35.524 69.738 1. 00 18.17 0
ATOM 5882 CB ASP B 336 17.757 35.642 72.813 1. 00 18.41 C
ATOM 5883 CG ASP B 336 16.945 35.945 74.085 1. 00 17.24 C
ATOM 5884 OD1 ASP B 336 15.699 35.848 74.100 1. 00 23.03 0

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Figure lA-108

Atom Type Residue # X Y Z Oee B Type

ATOM 5885 OD2 ASP B 336 17.578 36.283 75.091 1. 00 22.06 0
ATOM 5886 N ALA B 337 18.462 34.250 69.923 1. 00 14.22 N
ATOM 5887 CA ALA B 337 18.741 34.350 68.479 1. 00 15.50 C
ATOM 5888 C ALA B 337 17.630 33.730 67.638 1. 00 18.86 C
ATOM 5889 0 ALA B 337 17.188 34.327 66.636 1. 00 23.48 0
ATOM 5890 CB ALA B 337 20.076 33.708 68.152 1. 00 19.64 C
ATOM 5891 N CYS B 338 17.181 32.539 68.036 1. 00 19.48 N
ATOM 5892 CA CYS B 338 16.092 31.837 67.356 1. 00 18.97 C
ATOM 5893 C CYS B 338 14.773 32.617 67.383 1. 00 21.68 C
ATOM 5894 0 CYS B 338 14.092 32.727 66.346 1. 00 22.20 0
ATOM 5895 CB CYS B 338 15.915 30.397 67.911 1. 00 19.55 C
ATOM 5896 SG CYS B 338 17.193 29.300 67.481 1. 00 24.16 S
ATOM 5897 N ILE B 339 14.432 33.209 68.538 1. 00 20.27 N
ATOM 5898 CA ILE B 339 13.235 33.991 68.653 1. 00 22.11 C
ATOM 5899 C ILE B 339 13.276 35.191 67.713 1. 00 20.83 C
ATOM 5900 0 ILE B 339 12.284 35.478 67.044 1. 00 25.46 0
ATOM 5901 CB ILE B 339 12.958 34.480 70.106 1. 00 23.59 C
ATOM 5902 CGl ILE B 339 12.685 33.297 71.021 1. 00 19.79 C
ATOM 5903 CDI ILE B 339 12.615 33.636 72.499 1. 00 21.84 C
ATOM 5904 CG2 ILE B 339 11.761 35.446 70.126 1. 00 28.11 C
ATOM 5905 N ASN B 340 14.412 35.877 67.659 1. 00 19.61 N
ATOM 5906 CA ASN B 340 14.588 37.012 66.760 1. 00 20.94 C
ATOM 5907 C ASN B 340 14.682 36.645 65.265 1. 00 24.53 C
ATOM 5908 0 ASN B 340 14.443 37.480 64.416 1. 00 25.42 0
ATOM 5909 CB ASN B 340 15.799 37.832 67.161 1. 00 23.02 C
ATOM 5910 CG ASN B 340 15.509 38.725 68.366 1. 00 24.31 C
ATOM 5911 ODI ASN B 340 15.026 39.836 68.202 1. 00 25.05 0
ATOM 5912 ND2 ASN B 340 15.790 38.229 69.573 1. 00 25.70 N
ATOM 5913 N LEU B 341 15.032 35.409 64.975 1. 00 25.62 N
ATOM 5914 CA LEU B 341 15.068 34.934 63.602 1. 00 25.34 C
ATOM 5915 C LEU B 341 13 .776 34.296 63.136 1. 00 23.41 C
ATOM 5916 0 LEU B 341 13.682 33.915 61.959 1. 00 23.98 0
ATOM 5917 CB LEU B 341 16.238 33.987 63.398 1. 00 25.83 C
ATOM 5918 CG LEU B 341 17.591 34.680 63.521 1. 00 19.13 C
ATOM 5919 CDI LEU B 341 18.680 33.629 63.756 1. 00 18.68 C
ATOM 5920 CD2 LEU B 341 17.889 35.550 62.318 1. 00 27.84 C
ATOM 5921 N GLY B 342 12.822 34.139 64.049 1. 00 20.27 N
ATOM 5922 CA GLY B 342 11.538 33.470 63.784 1. 00 26.29 C
ATOM 5923 C GLY B 342 11.600 31.939 63.787 1. 00 25.92 C
ATOM 5924 0 GLY B 342 10.667 31.290 63.338 1. 00 27.25 0
ATOM 5925 N LEU B 343 12.695 31.363 64.292 1. 00 25.28 N
ATOM 5926 CA LEU B 343 12.872 29.895 64.323 1. 00 23.72 C
ATOM 5927 C LEU B 343 12.379 29.334 65.621 1. 00 26.01 C
ATOM 5928 0 LEU B 343 13 .172 28.975 66.464 1. 00 27.51 0
ATOM 5929 CB LEU B 343 14.351 29.531 64.136 1. 00 23.85 C
ATOM 5930 CG LEU B 343 15.023 30.006 62.852 1. 00 19.75 C
ATOM 5931 CDI LEU B 343 16.512 29.984 62.925 1. 00 25.24 C
ATOM 5932 CD2 LEU B 343 14.568 29.191 61.644 1. 00 25.65 C
ATOM 5933 N LEU B 344 11.063 29.255 65.765 1. 00 24.83 N
ATOM 5934 CA LEU B 344 10.429 29.059 67.066 1. 00 29.08 C
ATOM 5935 C LEU B 344 10.540 27.663 67.638 1. 00 27.29 C
ATOM 5936 0 LEU B 344 10.630 27.507 68.831 1. 00 29.88 0
ATOM 5937 CB LEU B 344 8.969 29.538 67.047 1. 00 25.96 C
ATOM 5938 CG LEU B 344 8.723 30.992 66.645 1. 00 32.89 C
ATOM 5939 CDI LEU B 344 7.274 31.349 66.922 1. 00 41.12 C

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Figure IA-I09

Atom Type Residue # X Y Z Oee B Type

ATOM 5940 CD2 LEU B 344 9.680 31.994 67.342 1. 00 24.29 C
ATOM 5941 N GLU B 345 10.502 26.643 66.781 1. 00 30.13 N
ATOM 5942 CA GLU B 345 10.748 25.291 67.203 1. 00 27.73 C
ATOM 5943 C GLU B 345 12.13 7 25.140 67.824 1. 00 25.74 C
ATOM 5944 0 GLU B 345 12.269 24.553 68.882 1. 00 23.07 0
ATOM 5945 CB GLU B 345 10.605 24.314 66.021 1. 00 33.20 C
ATOM 5946 CG GLU B 345 10.927 22.880 66.411 1. 00 29.72 C
ATOM 5947 CD GLU B 345 10.512 21.862 65.369 1. 00 48.64 C
ATOM 5948 OE1 GLU B 345 11.030 21.912 64.232 1. 00 49.00 0
ATOM 5949 OE2 GLU B 345 9.674 21.000 65.704 1. 00 47.72 0
ATOM 5950 N GLU B 346 13 .157 25.676 67.153 1. 00 25.27 N
ATOM 5951 CA GLU B 346 14.538 25.664 67.637 1. 00 26.21 C
ATOM 5952 C GLU B 346 14.657 26.471 68.944 1. 00 25.41 C
ATOM 5953 0 GLU B 346 15.289 26.031 69.880 1. 00 25.36 0
ATOM 5954 CB GLU B 346 15.475 26.244 66.587 1. 00 26.55 C
ATOM 5955 CG GLU B 346 15.634 25.424 65.298 1. 00 32.53 C
ATOM 5956 CD GLU B 346 14.477 25.538 64.277 1. 00 36.05 C
ATOM 5957 OE1 GLU B 346 13.409 26.154 64.534 1. 00 38.24 0
ATOM 5958 OE2 GLU B 346 14.653 24.979 63.174 1. 00 45.37 0
ATOM 5959 N ALA B 347 14.032 27.644 68.989 1. 00 26.37 N
ATOM 5960 CA ALA B 347 14.017 28.478 70.201 1. 00 26.86 C
ATOM 5961 C ALA B 347 13.490 27.684 71.392 1. 00 25.65 C
ATOM 5962 0 ALA B 347 14.086 27.739 72.460 1. 00 24.67 0
ATOM 5963 CB ALA B 347 13 .182 29.710 70.009 1. 00 22.83 C
ATOM 5964 N LEU B 348 12.381 26.946 71.196 1. 00 25.10 N
ATOM 5965 CA LEU B 348 11.835 26.093 72.256 1. 00 23.23 C
ATOM 5966 C LEU B 348 12.807 25.023 72.706 1. 00 23.09 C
ATOM 5967 0 LEU B 348 12.847 24.685 73.865 1. 00 24.73 0
ATOM 5968 CB LEU B 348 10.514 25.460 71.850 1. 00 24.72 C
ATOM 5969 CG LEU B 348 9.764 24.685 72.934 1. 00 22.72 C
ATOM 5970 CD1 LEU B 348 9.570 25.554 74.196 1. 00 23.43 C
ATOM 5971 CD2 LEU B 348 8.437 24.206 72.409 1. 00 28.67 C
ATOM 5972 N PHE B 349 13.595 24.499 71.774 1. 00 26.57 N
ATOM 5973 CA PHE B 349 14.547 23.442 72.064 1. 00 23.88 C
ATOM 5974 C PHE B 349 15.620 23.937 73.015 1. 00 25.52 C
ATOM 5975 0 PHE B 349 15.920 23.285 73.997 1. 00 24.94 0
ATOM 5976 CB PHE B 349 15.166 22.928 70.770 1. 00 25.59 C
ATOM 5977 CG PHE B 349 16.299 21.962 70.971 1. 00 30.24 C
ATOM 5978 CD1 PHE B 349 16.052 20.642 71.337 1. 00 38.46 C
ATOM 5979 CE1 PHE B 349 17.113 19.741 71.519 1. 00 37.86 C
ATOM 5980 CZ PHE B 349 18.431 20.165 71.327 1. 00 33.55 C
ATOM 5981 CE2 PHE B 349 18.686 21.470 70.968 1. 00 26.55 C
ATOM 5982 CD2 PHE B 349 17.618 22.366 70.769 1. 00 24.62 C
ATOM 5983 N TYR B 350 16.162 25.121 72.736 1. 00 23.35 N
ATOM 5984 CA TYR B 350 17.214 25.682 73.561 1. 00 22.80 C
ATOM 5985 C TYR B 350 16.619 26.231 74.853 1. 00 21. 41 C
ATOM 5986 0 TYR B 350 17.198 26.046 75.923 1. 00 24.14 0
ATOM 5987 CB TYR B 350 17.974 26.778 72.799 1. 00 23.84 C
ATOM 5988 CG TYR B 350 18.736 26.303 71.574 1. 00 18.89 C
ATOM 5989 CD1 TYR B 350 19.799 25.417 71.682 1. 00 24.47 C
ATOM 5990 CE1 TYR B 350 20.504 24.995 70.559 1. 00 28.73 C
ATOM 5991 CZ TYR B 350 20.137 25.471 69.299 1. 00 25.40 C
ATOM 5992 OH TYR B 350 20.824 25.087 68.179 1. 00 27.29 0
ATOM 5993 CE2 TYR B 350 19.097 26.356 69.168 1. 00 20.51 C
ATOM 5994 CD2 TYR B 350 18.396 26.767 70.304 1. 00 21.62 C

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Figure IA-IIO

Atom Type Residue # X Y Z Oee B Type

ATOM 5995 N GLY B 351 15.453 26.873 74.738 1. 00 22.56 N
ATOM 5996 CA GLY B 351 14.779 27.510 75.872 1. 00 21. 31 C
ATOM 5997 C GLY B 351 14.388 26.552 76.974 1. 00 21.76 C
ATOM 5998 0 GLY B 351 14.615 26.826 78.136 1. 00 18.43 0
ATOM 5999 N THR B 352 13.798 25.415 76.597 1. 00 24.39 N
ATOM 6000 CA THR B 352 13.351 24.408 77.545 1. 00 24.76 C
ATOM 6001 C THR B 352 14.526 23.930 78.372 1. 00 21.73 C
ATOM 6002 0 THR B 352 14.399 23.692 79.563 1. 00 24.26 0
ATOM 6003 CB THR B 352 12.644 23.211 76.818 1. 00 25.69 C
ATOM 6004 OG1 THR B 352 11.474 23.695 76.165 1. 00 34.64 0
ATOM 6005 CG2 THR B 352 12.209 22.150 77.804 1. 00 32.69 C
ATOM 6006 N ARG B 353 15.687 23.849 77.742 1. 00 22.47 N
ATOM 6007 CA ARG B 353 16.879 23.368 78.432 1. 00 21.73 C
ATOM 6008 C ARG B 353 17.400 24.334 79.516 1. 00 22.84 C
ATOM 6009 0 ARG B 353 18.123 23.934 80.410 1. 00 20.61 0
ATOM 6010 CB ARG B 353 17.949 23.022 77.429 1. 00 19.80 C
ATOM 6011 CG ARG B 353 17.634 21.735 76.638 1. 00 23.29 C
ATOM 6012 CD ARG B 353 18.591 21.573 75.463 1. 00 19.02 C
ATOM 6013 NE ARG B 353 19.982 21.439 75.870 1. 00 20.25 N
ATOM 6014 CZ ARG B 353 20.982 21.198 75.030 1. 00 18.71 C
ATOM 6015 NH1 ARG B 353 20.739 21.064 73.737 1. 00 24.63 N
ATOM 6016 NH2 ARG B 353 22.234 21.097 75.482 1. 00 20.26 N
ATOM 6017 N THR B 354 16.993 25.591 79.455 1. 00 22.14 N
ATOM 6018 CA THR B 354 17.392 26.571 80.489 1. 00 19.22 C
ATOM 6019 C THR B 354 16.502 26.608 81.734 1. 00 17.55 C
ATOM 6020 0 THR B 354 16.850 27.234 82.715 1. 00 20.80 0
ATOM 6021 CB THR B 354 17.431 27.982 79.904 1. 00 17.18 C
ATOM 6022 OG1 THR B 354 16.110 28.412 79.620 1. 00 20.76 0
ATOM 6023 CG2 THR B 354 18.255 28.002 78.649 1. 00 17.94 C
ATOM 6024 N MET B 355 15.362 25.925 81.690 1. 00 21.14 N
ATOM 6025 CA MET B 355 14.329 26.078 82.726 1. 00 21.79 C
ATOM 6026 C MET B 355 14.754 25.669 84.127 1. 00 19.93 C
ATOM 6027 0 MET B 355 14.579 26.431 85.052 1. 00 21.14 0
ATOM 6028 CB MET B 355 13 . 018 25.393 82.317 1. 00 22.79 C
ATOM 6029 CG MET B 355 12.300 26.079 81.154 1. 00 29.64 C
ATOM 6030 SD MET B 355 11.487 27.648 81.494 1. 00 29.17 S
ATOM 6031 CE MET B 355 10.038 27.094 82.382 1. 00 46.82 C
ATOM 6032 N GLU B 356 15.326 24.474 84.279 1. 00 20.62 N
ATOM 6033 CA GLU B 356 15.736 24.013 85.591 1. 00 22.62 C
ATOM 6034 C GLU B 356 16.993 24.694 86.142 1. 00 20.17 C
ATOM 6035 0 GLU B 356 17.047 25.019 87.304 1. 00 23.06 0
ATOM 6036 CB GLU B 356 15.838 22.467 85.622 1. 00 24.47 C
ATOM 6037 CG GLU B 356 16.165 21.885 86.968 1. 00 30.49 C
ATOM 6038 CD GLU B 356 15.124 22.195 88.016 1. 00 36.50 C
ATOM 6039 OE1 GLU B 356 13.995 22.577 87.646 1. 00 33.30 0
ATOM 6040 OE2 GLU B 356 15.443 22.044 89.215 1. 00 41.82 0
ATOM 6041 N PRO B 357 18.026 24.900 85.312 1. 00 20.62 N
ATOM 6042 CA PRO B 357 19.086 25.777 85.782 1. 00 22.16 C
ATOM 6043 C PRO B 357 18.588 27.216 86.196 1. 00 19.96 C
ATOM 6044 0 PRO B 357 19.080 27.758 87.196 1. 00 19.40 0
ATOM 6045 CB PRO B 357 20.038 25.819 84.596 1. 00 20.26 C
ATOM 6046 CG PRO B 357 19.805 24.500 83.909 1. 00 21.81 C
ATOM 6047 CD PRO B 357 18.334 24.313 84.006 1. 00 18.52 C
ATOM 6048 N TYR B 358 17.627 27.788 85.470 1. 00 19.35 N
ATOM 6049 CA TYR B 358 17.068 29.104 85.858 1. 00 21. 33 C

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Figure lA-ll1

Atom Type Residue # X Y Z Oee B Type

ATOM 6050 C TYR B 358 16.342 29.032 87.204 1. 00 21.64 C
ATOM 6051 0 TYR B 358 16.534 29.905 88.052 1. 00 26.58 0
ATOM 6052 CB TYR B 358 16.181 29.731 84.766 1. 00 18.94 C
ATOM 6053 CG TYR B 358 16.921 30.663 83.788 1. 00 22.61 C
ATOM 6054 CD1 TYR B 358 18.102 30.272 83.167 1. 00 19.50 C
ATOM 6055 CE1 TYR B 358 18.755 31.107 82.259 1. 00 17.44 C
ATOM 6056 CZ TYR B 358 18.233 32.386 81.980 1. 00 19.91 C
ATOM 6057 OH TYR B 358 18.916 33.214 81.111 1. 00 20.09 0
ATOM 6058 CE2 TYR B 358 17.062 32.804 82.578 1. 00 19.36 C
ATOM 6059 CD2 TYR B 358 16.408 31.941 83.474 1. 00 20.40 C
ATOM 6060 N ARG B 359 15.567 27.965 87.414 1. 00 22.70 N
ATOM 6061 CA ARG B 359 14.867 27.744 88.689 1. 00 24.15 C
ATOM 6062 C ARG B 359 15.866 27.758 89.826 1. 00 25.62 C
ATOM 6063 0 ARG B 359 15.631 28.392 90.869 1. 00 28.08 0
ATOM 6064 CB ARG B 359 14.080 26.427 88.672 1. 00 23.13 C
ATOM 6065 CG ARG B 359 13.133 26.241 89.853 1. 00 24.26 C
ATOM 6066 CD ARG B 359 12.559 24.826 89.923 1. 00 29.51 C
ATOM 6067 NE ARG B 359 13.593 23.862 90.289 1. 00 43.90 N
ATOM 6068 CZ ARG B 359 14.019 23.631 91.528 1. 00 50.14 C
ATOM 6069 NH1 ARG B 359 13 .492 24.275 92.563 1. 00 55.50 N
ATOM 6070 NH2 ARG B 359 14.980 22.741 91.732 1. 00 54.29 N
ATOM 6071 N ILE B 360 17.015 27.129 89.597 1. 00 25.82 N
ATOM 6072 CA ILE B 360 18.047 26.995 90.596 1. 00 25.80 C
ATOM 6073 C ILE B 360 18.840 28.273 90.860 1. 00 27.78 C
ATOM 6074 0 ILE B 360 19.118 28.611 92.019 1. 00 26.79 0
ATOM 6075 CB ILE B 360 18.992 25.813 90.266 1. 00 29.38 C
ATOM 6076 CG1 ILE B 360 18.236 24.485 90.438 1. 00 22.69 C
ATOM 6077 CD1 ILE B 360 18.861 23.332 89.675 1. 00 34.92 C
ATOM 6078 CG2 ILE B 360 20.290 25.873 91.115 1. 00 31.56 C
ATOM 6079 N PHE B 361 19.202 28.977 89.796 1. 00 24.86 N
ATOM 6080 CA PHE B 361 20.087 30.131 89.894 1. 00 21.75 C
ATOM 6081 C PHE B 361 19.410 31.502 90.100 1. 00 21.91 C
ATOM 6082 0 PHE B 361 20.092 32.481 90.436 1. 00 23.78 0
ATOM 6083 CB PHE B 361 21.000 30.186 88.654 1. 00 19.82 C
ATOM 6084 CG PHE B 361 21.988 29.032 88.540 1. 00 22.25 C
ATOM 6085 CD1 PHE B 361 22.717 28.596 89.634 1. 00 19.37 C
ATOM 6086 CE1 PHE B 361 23.627 27.572 89.505 1. 00 24.85 C
ATOM 6087 CZ PHE B 361 23.848 26.985 88.249 1. 00 22.51 C
ATOM 6088 CE2 PHE B 361 23.145 27.437 87.137 1. 00 21.95 C
ATOM 6089 CD2 PHE B 361 22.229 28.436 87.287 1. 00 22.09 C
ATOM 6090 N PHE B 362 18.106 31.565 89.878 1. 00 23.66 N
ATOM 6091 CA PHE B 362 17.297 32.776 90.092 1. 00 27.52 C
ATOM 6092 C PHE B 362 16.223 32.488 91.145 1. 00 28.96 C
ATOM 6093 0 PHE B 362 15.031 32.387 90.822 1. 00 31. 21 0
ATOM 6094 CB PHE B 362 16.603 33.249 88.801 1. 00 23.61 C
ATOM 6095 CG PHE B 362 17.550 33.639 87.694 1. 00 22.04 C
ATOM 6096 CD1 PHE B 362 17.865 34.991 87.463 1. 00 23.76 C
ATOM 6097 CE1 PHE B 362 18.744 35.364 86.414 1. 00 18.97 C
ATOM 6098 CZ PHE B 362 19.319 34.354 85.611 1. 00 21.50 C
ATOM 6099 CE2 PHE B 362 18.979 33.012 85.826 1. 00 16.10 C
ATOM 6100 CD2 PHE B 362 18.097 32.668 86.870 1. 00 18.90 C
ATOM 6101 N PRO B 363 16.630 32.353 92.405 1. 00 31.09 N
ATOM 6102 CA PRO B 363 15.626 32.014 93.427 1. 00 32.07 C
ATOM 6103 C PRO B 363 14.505 33.056 93.599 1. 00 31.52 C
ATOM 6104 0 PRO B 363 14.683 34.221 93.284 1. 00 31.77 0

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Figure IA-I 12

Atom Type Residue # X Y Z Oee B Type

ATOM 6105 CB PRO B 363 16.458 31.914 94.706 1. 00 32.72 C
ATOM 6106 CG PRO B 363 17.718 32.644 94.414 1. 00 36.04 C
ATOM 6107 CD PRO B 363 17.983 32.467 92.971 1. 00 31. 37 C
ATOM 6108 N GLY B 364 13.369 32.618 94.116 1. 00 33.50 N
ATOM 6109 CA GLY B 364 12.290 33.510 94.518 1. 00 31.61 C
ATOM 6110 C GLY B 364 11.696 34.225 93.328 1. 00 30.16 C
ATOM 6111 0 GLY B 364 11.280 33.592 92.359 1. 00 32.64 0
ATOM 6112 N SER B 365 11.685 35.551 93.391 1. 00 28.02 N
ATOM 6113 CA SER B 365 11.067 36.345 92.336 1. 00 27.19 C
ATOM 6114 C SER B 365 12.107 37.244 91.690 1. 00 22.83 C
ATOM 6115 0 SER B 365 12.568 38.192 92.312 1. 00 24.97 0
ATOM 6116 CB SER B 365 9.897 37.153 92.895 1. 00 27.95 C
ATOM 6117 OG SER B 365 8.936 36.288 93.471 1. 00 35.52 0
ATOM 6118 N HIS B 366 12.495 36.898 90.453 1. 00 22.07 N
ATOM 6119 CA HIS B 366 13 .517 37.627 89.710 1. 00 21. 38 C
ATOM 6120 C HIS B 366 12.980 37.881 88.309 1. 00 20.62 C
ATOM 6121 0 HIS B 366 12.555 36.933 87.651 1. 00 16.99 0
ATOM 6122 CB HIS B 366 14.828 36.823 89.614 1. 00 22.47 C
ATOM 6123 CG HIS B 366 15.997 37.644 89.160 1. 00 24.23 C
ATOM 6124 ND1 HIS B 366 16.056 38.240 87.913 1. 00 21.01 N
ATOM 6125 CE1 HIS B 366 17.185 38.924 87.811 1. 00 19.30 C
ATOM 6126 NE2 HIS B 366 17.857 38.791 88.941 1. 00 21. 49 N
ATOM 6127 CD2 HIS B 366 17.136 37.998 89.800 1. 00 28.88 C
ATOM 6128 N PRO B 367 13.010 39.161 87.840 1. 00 19.10 N
ATOM 6129 CA PRO B 367 12.361 39.482 86.590 1. 00 18.45 C
ATOM 6130 C PRO B 367 12.941 38.766 85.383 1. 00 15.65 C
ATOM 6131 0 PRO B 367 12.196 38.506 84.444 1. 00 18.12 0
ATOM 6132 CB PRO B 367 12.564 41.004 86.452 1. 00 16.41 C
ATOM 6133 CG PRO B 367 13.720 41.308 87.314 1. 00 20.02 C
ATOM 6134 CD PRO B 367 13.610 40.357 88.456 1. 00 21. 21 C
ATOM 6135 N VAL B 368 14.236 38.457 85.419 1. 00 17.02 N
ATOM 6136 CA VAL B 368 14.907 37.745 84.308 1. 00 17.72 C
ATOM 6137 C VAL B 368 14.343 36.297 84.225 1. 00 17.76 C
ATOM 6138 0 VAL B 368 14.076 35.811 83.134 1. 00 15.52 0
ATOM 6139 CB VAL B 368 16.452 37.751 84.470 1. 00 17.51 C
ATOM 6140 CG1 VAL B 368 17.177 36.720 83.503 1. 00 20.51 C
ATOM 6141 CG2 VAL B 368 17.029 39.134 84.286 1. 00 19.61 C
ATOM 6142 N ARG B 369 14.132 35.638 85.374 1. 00 19.31 N
ATOM 6143 CA ARG B 369 13.482 34.330 85.349 1. 00 19.48 C
ATOM 6144 C ARG B 369 12.039 34.423 84.898 1. 00 16.93 C
ATOM 6145 0 ARG B 369 11.601 33.602 84.107 1. 00 21. 34 0
ATOM 6146 CB ARG B 369 13 .582 33.561 86.675 1. 00 21.98 C
ATOM 6147 CG ARG B 369 12.855 32.220 86.602 1. 00 22.22 C
ATOM 6148 CD ARG B 369 13.138 31.331 87.776 1. 00 23.34 C
ATOM 6149 NE ARG B 369 12.411 30.084 87.598 1. 00 27.15 N
ATOM 6150 CZ ARG B 369 11.522 29.596 88.459 1. 00 31.80 C
ATOM 6151 NH1 ARG B 369 11.260 30.227 89.588 1. 00 29.09 N
ATOM 6152 NH2 ARG B 369 10.908 28.462 88.188 1. 00 29.80 N
ATOM 6153 N GLY B 370 11.310 35.439 85.366 1. 00 16.02 N
ATOM 6154 CA GLY B 370 9.953 35.681 84.906 1. 00 19.36 C
ATOM 6155 C GLY B 370 9.795 35.770 83.406 1. 00 17.32 C
ATOM 6156 0 GLY B 370 8.910 35.134 82.819 1. 00 20.23 0
ATOM 6157 N VAL B 371 10.681 36.547 82.792 1. 00 18.87 N
ATOM 6158 CA VAL B 371 10.698 36.743 81.358 1. 00 18.38 C
ATOM 6159 C VAL B 371 11.119 35.473 80.600 1. 00 15.37 C

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Figure IA-I 13

Atom Type Residue # X Y Z Oee B Type

ATOM 6160 0 VAL B 371 10.552 35.177 79.556 1. 00 18.94 0
ATOM 6161 CB VAL B 371 11.618 37.926 80.981 1. 00 20.79 C
ATOM 6162 CG1 VAL B 371 11.957 37.910 79.494 1. 00 15.08 C
ATOM 6163 CG2 VAL B 371 10.982 39.269 81.408 1. 00 17.61 C
ATOM 6164 N GLN B 372 12.078 34.736 81.137 1. 00 18.77 N
ATOM 6165 CA GLN B 372 12.506 33.470 80.524 1. 00 17.60 C
ATOM 6166 C GLN B 372 11.348 32.457 80.463 1. 00 18.71 C
ATOM 6167 0 GLN B 372 11.099 31.822 79.426 1. 00 19.34 0
ATOM 6168 CB GLN B 372 13.714 32.887 81.266 1. 00 19.51 C
ATOM 6169 CG GLN B 372 14.431 31.779 80.521 1. 00 22.09 C
ATOM 6170 CD GLN B 372 15.452 32.283 79.499 1. 00 15.25 C
ATOM 6171 OE1 GLN B 372 15.401 33.424 79.043 1. 00 26.25 0
ATOM 6172 NE2 GLN B 372 16.373 31.427 79.139 1. 00 21. 36 N
ATOM 6173 N VAL B 373 10.630 32.345 81.571 1. 00 18.94 N
ATOM 6174 CA VAL B 373 9.498 31.436 81.672 1. 00 22.02 C
ATOM 6175 C VAL B 373 8.387 31.832 80.727 1. 00 21.71 C
ATOM 6176 0 VAL B 373 7.830 30.973 80.025 1. 00 22.81 0
ATOM 6177 CB VAL B 373 9.022 31.268 83.161 1. 00 24.14 C
ATOM 6178 CG1 VAL B 373 7.797 30.401 83.236 1. 00 20.86 C
ATOM 6179 CG2 VAL B 373 10.139 30.645 83.998 1. 00 20.89 C
ATOM 6180 N MET B 374 8.085 33.129 80.672 1. 00 23.53 N
ATOM 6181 CA MET B 374 7.142 33.660 79.700 1. 00 21.60 C
ATOM 6182 C MET B 374 7.483 33.329 78.243 1. 00 23.04 C
ATOM 6183 0 MET B 374 6.597 32.897 77.493 1. 00 22.76 0
ATOM 6184 CB MET B 374 6.950 35.150 79.904 1. 00 22.08 C
ATOM 6185 CG MET B 374 5.978 35.775 78.945 1. 00 24.20 C
ATOM 6186 SD MET B 374 5.831 37.492 79.361 1. 00 27.91 S
ATOM 6187 CE MET B 374 4.663 38.022 78.120 1. 00 29.98 C
ATOM 6188 N LYS B 375 8.753 33.498 77.852 1. 00 19.96 N
ATOM 6189 CA LYS B 375 9.202 33.172 76.492 1. 00 19.94 C
ATOM 6190 C LYS B 375 8.979 31.690 76.160 1. 00 19.80 C
ATOM 6191 0 LYS B 375 8.411 31.373 75.124 1. 00 24.91 0
ATOM 6192 CB LYS B 375 10.695 33.532 76.285 1. 00 22.38 C
ATOM 6193 CG LYS B 375 10.993 35.044 76.115 1. 00 19.29 C
ATOM 6194 CD LYS B 375 12.513 35.298 76.187 1. 00 17.76 C
ATOM 6195 CE LYS B 375 12.908 36.753 76.049 1. 00 15.99 C
ATOM 6196 NZ LYS B 375 14.351 36.879 76.312 1. 00 20.77 N
ATOM 6197 N VAL B 376 9.360 30.806 77.071 1. 00 20.08 N
ATOM 6198 CA VAL B 376 9.177 29.349 76.876 1. 00 23.38 C
ATOM 6199 C VAL B 376 7.684 29.003 76.711 1. 00 23.86 C
ATOM 6200 0 VAL B 376 7.302 28.314 75.761 1. 00 28.32 0
ATOM 6201 CB VAL B 376 9.890 28.533 77.986 1. 00 23.79 C
ATOM 6202 CG1 VAL B 376 9.469 27.050 77.973 1. 00 23.86 C
ATOM 6203 CG2 VAL B 376 11.442 28.662 77.823 1. 00 22.12 C
ATOM 6204 N GLY B 377 6.859 29.535 77.600 1. 00 24.84 N
ATOM 6205 CA GLY B 377 5.419 29.349 77.576 1. 00 26.70 C
ATOM 6206 C GLY B 377 4.792 29.865 76.302 1. 00 29.67 C
ATOM 6207 0 GLY B 377 3.893 29.236 75.761 1. 00 31.90 0
ATOM 6208 N LYS B 378 5.277 31.005 75.809 1. 00 32.82 N
ATOM 6209 CA LYS B 378 4.788 31.552 74.564 1. 00 34.14 C
ATOM 6210 C LYS B 378 5.206 30.650 73.407 1. 00 35.16 C
ATOM 6211 0 LYS B 378 4.415 30.411 72.493 1. 00 39.43 0
ATOM 6212 CB LYS B 378 5.277 32.987 74.357 1. 00 35.86 C
ATOM 6213 CG LYS B 378 4.588 33.702 73.189 1. 00 39.33 C
ATOM 6214 CD LYS B 378 5.072 35.132 73.027 1. 00 38.46 C

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Figure lA-114

Atom Type Residue # X Y Z Oee B Type

ATOM 6215 CE LYS B 378 4.371 35.785 71.840 1. 00 46.63 C
ATOM 6216 NZ LYS B 378 4.977 37.098 71.487 1. 00 42.55 N
ATOM 6217 N LEU B 379 6.441 30.150 73.452 1. 00 32.30 N
ATOM 6218 CA LEU B 379 6.932 29.195 72.465 1. 00 32.06 C
ATOM 6219 C LEU B 379 6.112 27.904 72.461 1. 00 31. 28 C
ATOM 6220 0 LEU B 379 5.752 27.403 71.399 1. 00 33.12 0
ATOM 6221 CB LEU B 379 8.415 28.877 72.685 1. 00 30.20 C
ATOM 6222 CG LEU B 379 9.382 30.022 72.362 1. 00 27.34 C
ATOM 6223 CD1 LEU B 379 10.798 29.720 72.801 1. 00 22.14 C
ATOM 6224 CD2 LEU B 379 9.350 30.394 70.877 1. 00 37.77 C
ATOM 6225 N GLN B 380 5.810 27.391 73.646 1. 00 34.48 N
ATOM 6226 CA GLN B 380 5.016 26.167 73.776 1. 00 38.69 C
ATOM 6227 C GLN B 380 3.589 26.325 73.234 1. 00 43.38 C
ATOM 6228 0 GLN B 380 3.079 25.432 72.547 1. 00 45.14 0
ATOM 6229 CB GLN B 380 5.013 25.687 75.215 1. 00 37.08 C
ATOM 6230 CG GLN B 380 6.341 25.131 75.623 1. 00 28.12 C
ATOM 6231 CD GLN B 380 6.435 24.808 77.076 1. 00 26.13 C
ATOM 6232 OE1 GLN B 380 7.206 23.924 77.450 1. 00 30.13 0
ATOM 6233 NE2 GLN B 380 5.649 25.500 77.929 1. 00 24.10 N
ATOM 6234 N LEU B 381 2.972 27.466 73.538 1. 00 48.36 N
ATOM 6235 CA LEU B 381 1.665 27.846 73.001 1. 00 52.20 C
ATOM 6236 C LEU B 381 1.664 27.837 71.465 1. 00 54.90 C
ATOM 6237 0 LEU B 381 0.772 27.246 70.849 1. 00 55.91 0
ATOM 6238 CB LEU B 381 1. 249 29.224 73.549 1. 00 51.95 C
ATOM 6239 CG LEU B 381 0.040 29.992 72.994 1. 00 51. 39 C
ATOM 6240 CD1 LEU B 381 -1.284 29.247 73.227 1. 00 55.67 C
ATOM 6241 CD2 LEU B 381 -0.014 31.388 73.606 1. 00 53.21 C
ATOM 6242 N HIS B 382 2.672 28.474 70.860 1. 00 56.54 N
ATOM 6243 CA HIS B 382 2.812 28.519 69.400 1. 00 58.17 C
ATOM 6244 C HIS B 382 2.912 27.126 68.768 1. 00 59.24 C
ATOM 6245 0 HIS B 382 2.441 26.913 67.646 1. 00 59.21 0
ATOM 6246 CB HIS B 382 4.022 29.370 68.987 1. 00 58.04 C
ATOM 6247 CG HIS B 382 4.326 29.316 67.519 1. 00 61.16 C
ATOM 6248 ND1 HIS B 382 5.135 28.347 66.959 1. 00 63.94 N
ATOM 6249 CE1 HIS B 382 5.217 28.543 65.655 1. 00 62.53 C
ATOM 6250 NE2 HIS B 382 4.489 29.601 65.346 1. 00 62.77 N
ATOM 6251 CD2 HIS B 382 3.919 30.102 66.493 1. 00 61. 41 C
ATOM 6252 N GLN B 383 3.534 26.192 69.486 1. 00 59.86 N
ATOM 6253 CA GLN B 383 3.755 24.842 68.972 1. 00 61.00 C
ATOM 6254 C GLN B 383 2.694 23.844 69.457 1. 00 61.64 C
ATOM 6255 0 GLN B 383 2.885 22.628 69.371 1. 00 62.70 0
ATOM 6256 CB GLN B 383 5.177 24.365 69.299 1. 00 60.37 C
ATOM 6257 N GLY B 384 1.579 24.371 69.959 1. 00 61.87 N
ATOM 6258 CA GLY B 384 0.419 23.561 70.324 1. 00 62.49 C
ATOM 6259 C GLY B 384 0.504 22.758 71.613 1. 00 62.80 C
ATOM 6260 0 GLY B 384 -0.372 21.935 71.882 1. 00 62.62 0
ATOM 6261 N MET B 385 1.548 22.987 72.409 1. 00 62.35 N
ATOM 6262 CA MET B 385 1.698 22.315 73.699 1. 00 62.10 C
ATOM 6263 C MET B 385 0.913 23.059 74.774 1. 00 63.10 C
ATOM 6264 0 MET B 385 1. 498 23.651 75.686 1. 00 62.51 0
ATOM 6265 CB MET B 385 3.169 22.246 74.101 1. 00 62.06 C
ATOM 6266 CG MET B 385 3.965 21.160 73.427 1. 00 62.47 C
ATOM 6267 SD MET B 385 5.698 21.640 73.343 1. 00 61. 43 S
ATOM 6268 CE MET B 385 5.578 22.914 72.097 1. 00 59.06 C
ATOM 6269 N PHE B 386 -0.414 23.001 74.675 1. 00 63.75 N

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Figure lA-lIS

Atom Type Residue # X Y Z Oee B Type

ATOM 6270 CA PHE B 386 -1.295 23.840 75.494 1. 00 64.10 C
ATOM 6271 C PHE B 386 -1.208 23.667 77.022 1. 00 63.78 C
ATOM 6272 0 PHE B 386 -1.165 24.672 77.735 1. 00 63.97 0
ATOM 6273 CB PHE B 386 -2.746 23.784 74.985 1. 00 64.75 C
ATOM 6274 CG PHE B 386 -2.898 24.200 73.541 1. 00 65.65 C
ATOM 6275 CD1 PHE B 386 -2.511 25.473 73.121 1. 00 65.39 C
ATOM 6276 CE1 PHE B 386 -2.645 25.861 71.787 1. 00 66.59 C
ATOM 6277 CZ PHE B 386 -3.176 24.969 70.853 1. 00 67.24 C
ATOM 6278 CE2 PHE B 386 -3.566 23.694 71.258 1. 00 68.26 C
ATOM 6279 CD2 PHE B 386 -3.426 23.317 72.600 1. 00 67.55 C
ATOM 6280 N PRO B 387 -1.164 22.411 77.532 1. 00 63.57 N
ATOM 6281 CA PRO B 387 -1.087 22.241 78.993 1. 00 62.83 C
ATOM 6282 C PRO B 387 0.270 22.653 79.582 1. 00 62.01 C
ATOM 6283 0 PRO B 387 0.320 23.212 80.684 1. 00 60.82 0
ATOM 6284 CB PRO B 387 -1.316 20.731 79.196 1. 00 62.72 C
ATOM 6285 CG PRO B 387 -1.768 20.202 77.876 1. 00 63.99 C
ATOM 6286 CD PRO B 387 -1.182 21.106 76.845 1. 00 64.29 C
ATOM 6287 N GLN B 388 1. 349 22.357 78.853 1. 00 60.68 N
ATOM 6288 CA GLN B 388 2.703 22.777 79.224 1. 00 59.59 C
ATOM 6289 C GLN B 388 2.801 24.304 79.221 1. 00 57.45 C
ATOM 6290 0 GLN B 388 3.283 24.901 80.188 1. 00 57.62 0
ATOM 6291 CB GLN B 388 3.747 22.179 78.267 1. 00 60.33 C
ATOM 6292 CG GLN B 388 3.857 20.646 78.274 1. 00 64.15 C
ATOM 6293 CD GLN B 388 2.695 19.948 77.563 1. 00 69.90 C
ATOM 6294 OE1 GLN B 388 2.161 20.442 76.566 1. 00 68.73 0
ATOM 6295 NE2 GLN B 388 2.301 18.791 78.083 1. 00 74.78 N
ATOM 6296 N ALA B 389 2.329 24.922 78.138 1. 00 55.11 N
ATOM 6297 CA ALA B 389 2.289 26.379 78.009 1. 00 54.78 C
ATOM 6298 C ALA B 389 1.544 27.020 79.176 1. 00 55.12 C
ATOM 6299 0 ALA B 389 2.076 27.917 79.840 1. 00 55.39 0
ATOM 6300 CB ALA B 389 1.655 26.786 76.684 1. 00 54.40 C
ATOM 6301 N MET B 390 0.325 26.540 79.435 1. 00 53.55 N
ATOM 6302 CA MET B 390 -0.506 27.076 80.511 1. 00 52.22 C
ATOM 6303 C MET B 390 0.228 27.078 81.861 1. 00 49.39 C
ATOM 6304 0 MET B 390 0.192 28.080 82.577 1. 00 49.52 0
ATOM 6305 CB MET B 390 -1.845 26.327 80.604 1. 00 53.62 C
ATOM 6306 CG MET B 390 -2.882 27.007 81.518 1. 00 58.89 C
ATOM 6307 SD MET B 390 -3.326 28.704 81.042 1. 00 70.96 S
ATOM 6308 CE MET B 390 -4.598 28.399 79.822 1. 00 69.88 C
ATOM 6309 N LYS B 391 0.903 25.969 82.181 1. 00 45.25 N
ATOM 6310 CA LYS B 391 1.678 25.839 83.421 1. 00 42.06 C
ATOM 6311 C LYS B 391 2.820 26.866 83.490 1. 00 39.34 C
ATOM 6312 0 LYS B 391 3.028 27.502 84.524 1. 00 36.94 0
ATOM 6313 CB LYS B 391 2.238 24.419 83.572 1. 00 42.88 C
ATOM 6314 N ASN B 392 3.552 27.017 82.389 1. 00 34.97 N
ATOM 6315 CA ASN B 392 4.632 28.004 82.336 1. 00 34.49 C
ATOM 6316 C ASN B 392 4.122 29.451 82.309 1. 00 32.60 C
ATOM 6317 0 ASN B 392 4.664 30.318 83.001 1. 00 32.93 0
ATOM 6318 CB ASN B 392 5.595 27.706 81.184 1. 00 33.15 C
ATOM 6319 CG ASN B 392 6.548 26.576 81.503 1. 00 26.78 C
ATOM 6320 OD1 ASN B 392 7.107 26.511 82.587 1. 00 41. 27 0
ATOM 6321 ND2 ASN B 392 6.762 25.695 80.545 1. 00 33.35 N
ATOM 6322 N LEU B 393 3.056 29.702 81.556 1. 00 33.91 N
ATOM 6323 CA LEU B 393 2.455 31.035 81.520 1. 00 32.74 C
ATOM 6324 C LEU B 393 1.925 31. 452 82.890 1. 00 32.71 C

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Figure lA-116

Atom Type Residue # X Y Z Oee B Type

ATOM 6325 0 LEU B 393 2.118 32.586 83.293 1. 00 29.17 0
ATOM 6326 CB LEU B 393 1. 400 31.163 80.420 1. 00 34.48 C
ATOM 6327 CG LEU B 393 1.879 30.999 78.963 1. 00 38.51 C
ATOM 6328 CD1 LEU B 393 0.689 30.973 78.006 1. 00 45.23 C
ATOM 6329 CD2 LEU B 393 2.879 32.072 78.549 1. 00 43.71 C
ATOM 6330 N ARG B 394 1. 316 30.511 83.622 1. 00 33.46 N
ATOM 6331 CA ARG B 394 0.902 30.749 85.007 1. 00 34.40 C
ATOM 6332 C ARG B 394 2.088 30.955 85.961 1. 00 32.23 C
ATOM 6333 0 ARG B 394 1.999 31.742 86.907 1. 00 34.03 0
ATOM 6334 CB ARG B 394 0.009 29.601 85.518 1. 00 36.73 C
ATOM 6335 N LEU B 395 3.181 30.239 85.722 1. 00 29.65 N
ATOM 6336 CA LEU B 395 4.393 30.424 86.499 1. 00 30.77 C
ATOM 6337 C LEU B 395 5.012 31.804 86.254 1. 00 25.16 C
ATOM 6338 0 LEU B 395 5.407 32.474 87.195 1. 00 25.14 0
ATOM 6339 CB LEU B 395 5.407 29.320 86.220 1. 00 30.37 C
ATOM 6340 CG LEU B 395 6.763 29.405 86.935 1. 00 31.75 C
ATOM 6341 CD1 LEU B 395 6.614 29.623 88.449 1. 00 39.43 C
ATOM 6342 CD2 LEU B 395 7.590 28.155 86.640 1. 00 35.78 C
ATOM 6343 N ALA B 396 5.054 32.217 84.994 1. 00 28.87 N
ATOM 6344 CA ALA B 396 5.511 33.561 84.637 1. 00 27.17 C
ATOM 6345 C ALA B 396 4.644 34.615 85.336 1. 00 28.33 C
ATOM 6346 0 ALA B 396 5.169 35.587 85.889 1. 00 28.74 0
ATOM 6347 CB ALA B 396 5.495 33.749 83.118 1. 00 23.91 C
ATOM 6348 N PHE B 397 3.323 34.416 85.331 1. 00 30.13 N
ATOM 6349 CA PHE B 397 2.434 35.367 86.004 1. 00 30.17 C
ATOM 6350 C PHE B 397 2.723 35.442 87.502 1. 00 28.75 C
ATOM 6351 0 PHE B 397 2.803 36.521 88.051 1. 00 29.37 0
ATOM 6352 CB PHE B 397 0.957 35.045 85.764 1. 00 33.49 C
ATOM 6353 CG PHE B 397 0.026 36.074 86.341 1. 00 41. 48 C
ATOM 6354 CD1 PHE B 397 -0.339 37.194 85.594 1. 00 46.68 C
ATOM 6355 CE1 PHE B 397 -1.187 38.166 86.133 1. 00 53.99 C
ATOM 6356 CZ PHE B 397 -1.667 38.021 87.438 1. 00 50.59 C
ATOM 6357 CE2 PHE B 397 -1. 294 36.914 88.198 1. 00 51.72 C
ATOM 6358 CD2 PHE B 397 -0.450 35.949 87.649 1. 00 47.23 C
ATOM 6359 N ASP B 398 2.919 34.290 88.141 1. 00 28.38 N
ATOM 6360 CA ASP B 398 3.267 34.242 89.556 1. 00 30.54 C
ATOM 6361 C ASP B 398 4.537 35.012 89.882 1. 00 29.38 C
ATOM 6362 0 ASP B 398 4.601 35.702 90.906 1. 00 28.66 0
ATOM 6363 CB ASP B 398 3.409 32.801 90.039 1. 00 32.61 C
ATOM 6364 CG ASP B 398 2.088 32.041 90.023 1. 00 45.86 C
ATOM 6365 OD1 ASP B 398 1.009 32.683 90.109 1. 00 52.86 0
ATOM 6366 OD2 ASP B 398 2.138 30.792 89.927 1. 00 55.10 0
ATOM 6367 N ILE B 399 5.551 34.897 89.022 1. 00 29.29 N
ATOM 6368 CA ILE B 399 6.809 35.643 89.221 1. 00 27.09 C
ATOM 6369 C ILE B 399 6.619 37.140 88.874 1. 00 23.95 C
ATOM 6370 0 ILE B 399 6.926 38.020 89.679 1. 00 21.99 0
ATOM 6371 CB ILE B 399 7.976 35.056 88.371 1. 00 27.48 C
ATOM 6372 CG1 ILE B 399 8.287 33.615 88.772 1. 00 26.54 C
ATOM 6373 CD1 ILE B 399 9.023 32.846 87.678 1. 00 26.51 C
ATOM 6374 CG2 ILE B 399 9.265 35.929 88.473 1. 00 21.95 C
ATOM 6375 N MET B 400 6.098 37.402 87.678 1. 00 25.00 N
ATOM 6376 CA MET B 400 6.005 38.769 87.146 1. 00 24.53 C
ATOM 6377 C MET B 400 4.936 39.664 87.794 1. 00 27.85 C
ATOM 6378 0 MET B 400 5.031 40.896 87.717 1. 00 30.51 0
ATOM 6379 CB MET B 400 5.833 38.726 85.634 1. 00 22.51 C

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Figure IA-I 17

Atom Type Residue # X Y Z Oee B Type

ATOM 6380 CG MET B 400 7.056 38.139 84.938 1. 00 24.26 C
ATOM 6381 SD MET B 400 6.779 37.978 83.182 1. 00 27.27 S
ATOM 6382 CE MET B 400 6.265 39.612 82.732 1. 00 29.10 C
ATOM 6383 N ARG B 401 3.938 39.064 88.448 1. 00 30.36 N
ATOM 6384 CA ARG B 401 3.047 39.861 89.317 1. 00 32.69 C
ATOM 6385 C ARG B 401 3.831 40.538 90.435 1. 00 28.05 C
ATOM 6386 0 ARG B 401 3.488 41.645 90.840 1. 00 29.82 0
ATOM 6387 CB ARG B 401 1.838 39.079 89.853 1. 00 32.53 C
ATOM 6388 CG ARG B 401 2.149 37.856 90.709 1. 00 38.74 C
ATOM 6389 CD ARG B 401 0.904 37.374 91.468 1. 00 40.55 C
ATOM 6390 NE ARG B 401 0.730 38.112 92.718 1. 00 59.79 N
ATOM 6391 CZ ARG B 401 1. 397 37.861 93.845 1. 00 64.83 C
ATOM 6392 NH1 ARG B 401 2.295 36.879 93.899 1. 00 64.14 N
ATOM 6393 NH2 ARG B 401 1.167 38.600 94.923 1. 00 68.12 N
ATOM 6394 N VAL B 402 4.911 39.902 90.880 1. 00 24.65 N
ATOM 6395 CA VAL B 402 5.821 40.497 91.849 1. 00 22.03 C
ATOM 6396 C VAL B 402 6.893 41.420 91.230 1. 00 22.76 C
ATOM 6397 0 VAL B 402 7.108 42.516 91.713 1. 00 23.78 0
ATOM 6398 CB VAL B 402 6.515 39.416 92.733 1. 00 22.06 C
ATOM 6399 CG1 VAL B 402 7.671 39.995 93.509 1. 00 20.79 C
ATOM 6400 CG2 VAL B 402 5.499 38.786 93.701 1. 00 26.10 C
ATOM 6401 N THR B 403 7.560 40.947 90.177 1. 00 22.45 N
ATOM 6402 CA THR B 403 8.734 41.613 89.619 1. 00 21. 34 C
ATOM 6403 C THR B 403 8.407 42.767 88.673 1. 00 19.40 C
ATOM 6404 0 THR B 403 9.204 43.708 88.535 1. 00 22.29 0
ATOM 6405 CB THR B 403 9.697 40.598 88.892 1. 00 19.89 C
ATOM 6406 OG1 THR B 403 9.002 39.964 87.827 1. 00 23.81 0
ATOM 6407 CG2 THR B 403 10.193 39.530 89.818 1. 00 20.49 C
ATOM 6408 N HIS B 404 7.274 42.673 87.989 1. 00 19.07 N
ATOM 6409 CA HIS B 404 6.888 43.690 87.029 1. 00 22.22 C
ATOM 6410 C HIS B 404 5.680 44.487 87.528 1. 00 26.16 C
ATOM 6411 0 HIS B 404 5.684 45.720 87.451 1. 00 26.24 0
ATOM 6412 CB HIS B 404 6.581 43.086 85.669 1. 00 21.01 C
ATOM 6413 CG HIS B 404 7.777 42.538 84.951 1. 00 22.04 C
ATOM 6414 ND1 HIS B 404 8.592 41.565 85.482 1. 00 21.86 N
ATOM 6415 CE1 HIS B 404 9.531 41. 253 84.605 1. 00 19.59 C
ATOM 6416 NE2 HIS B 404 9.365 42.007 83.534 1. 00 22.79 N
ATOM 6417 CD2 HIS B 404 8.269 42.807 83.722 1. 00 18.67 C
ATOM 6418 N GLY B 405 4.667 43.771 88.028 1. 00 29.56 N
ATOM 6419 CA GLY B 405 3.409 44.359 88.501 1. 00 35.03 C
ATOM 6420 C GLY B 405 2.584 45.042 87.415 1. 00 39.53 C
ATOM 6421 0 GLY B 405 3.025 45.152 86.261 1. 00 39.59 0
ATOM 6422 N ARG B 406 1. 403 45.536 87.806 1. 00 41.75 N
ATOM 6423 CA ARG B 406 0.402 46.126 86.897 1. 00 43.46 C
ATOM 6424 C ARG B 406 0.911 47.313 86.078 1. 00 44.05 C
ATOM 6425 0 ARG B 406 0.454 47.538 84.950 1. 00 44.21 0
ATOM 6426 CB ARG B 406 -0.836 46.569 87.691 1. 00 43.33 C
ATOM 6427 N GLU B 407 1.839 48.071 86.665 1. 00 43.77 N
ATOM 6428 CA GLU B 407 2.401 49.274 86.040 1. 00 44.01 C
ATOM 6429 C GLU B 407 3.316 48.928 84.858 1. 00 42.73 C
ATOM 6430 0 GLU B 407 3.704 49.814 84.095 1. 00 42.53 0
ATOM 6431 CB GLU B 407 3.166 50.126 87.070 1. 00 45.35 C
ATOM 6432 CG GLU B 407 2.308 50.735 88.199 1. 00 46.35 C
ATOM 6433 CD GLU B 407 2.111 49.794 89.389 1. 00 55.54 C
ATOM 6434 OE1 GLU B 407 2.507 48.610 89.297 1. 00 51. 40 0

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Figure IA-118

Atom Type Residue # X Y Z Oee B Type

ATOM 6435 OE2 GLU B 407 1.553 50.232 90.423 1. 00 55.17 0
ATOM 6436 N HIS B 408 3.656 47.647 84.702 1. 00 39.68 N
ATOM 6437 CA HIS B 408 4.452 47.243 83.557 1. 00 37.19 C
ATOM 6438 C HIS B 408 3.619 46.714 82.393 1. 00 39.68 C
ATOM 6439 0 HIS B 408 2.828 45.788 82.561 1. 00 41. 39 0
ATOM 6440 CB HIS B 408 5.500 46.225 83.939 1. 00 34.09 C
ATOM 6441 CG HIS B 408 6.659 46.202 83.003 1. 00 20.65 C
ATOM 6442 ND1 HIS B 408 6.552 45.780 81.696 1. 00 26.62 N
ATOM 6443 CE1 HIS B 408 7.736 45.850 81.114 1. 00 24.37 C
ATOM 6444 NE2 HIS B 408 8.603 46.304 81.995 1. 00 21.55 N
ATOM 6445 CD2 HIS B 408 7.958 46.517 83.189 1. 00 22.27 C
ATOM 6446 N SER B 409 3.839 47.282 81.209 1. 00 40.71 N
ATOM 6447 CA SER B 409 3.079 46.925 80.000 1. 00 43.13 C
ATOM 6448 C SER B 409 3.169 45.442 79.614 1. 00 43.74 C
ATOM 6449 0 SER B 409 2.271 44.916 78.944 1. 00 44.84 0
ATOM 6450 CB SER B 409 3.514 47.799 78.817 1. 00 45.02 C
ATOM 6451 OG SER B 409 4.911 47.676 78.590 1. 00 44.89 0
ATOM 6452 N LEU B 410 4.241 44.774 80.048 1. 00 41. 33 N
ATOM 6453 CA LEU B 410 4.455 43.358 79.744 1. 00 42.02 C
ATOM 6454 C LEU B 410 3.461 42.423 80.452 1. 00 44.40 C
ATOM 6455 0 LEU B 410 3.205 41.313 79.982 1. 00 43.71 0
ATOM 6456 CB LEU B 410 5.890 42.961 80.074 1. 00 39.71 C
ATOM 6457 CG LEU B 410 6.444 41.658 79.511 1. 00 32.43 C
ATOM 6458 CD1 LEU B 410 6.329 41.566 77.987 1. 00 35.84 C
ATOM 6459 CD2 LEU B 410 7.866 41.521 79.955 1. 00 31.07 C
ATOM 6460 N ILE B 411 2.909 42.882 81.575 1. 00 47.77 N
ATOM 6461 CA ILE B 411 1.885 42.134 82.315 1. 00 51. 37 C
ATOM 6462 C ILE B 411 0.581 42.012 81.507 1. 00 53.01 C
ATOM 6463 0 ILE B 411 -0.076 40.958 81.525 1. 00 53.18 0
ATOM 6464 CB ILE B 411 1.653 42.737 83.743 1. 00 51.83 C
ATOM 6465 CG1 ILE B 411 2.599 42.087 84.771 1. 00 54.09 C
ATOM 6466 CD1 ILE B 411 2.269 40.619 85.158 1. 00 51.82 C
ATOM 6467 CG2 ILE B 411 0.187 42.623 84.190 1. 00 56.01 C
ATOM 6468 N GLU B 412 0.227 43.080 80.790 1. 00 53.37 N
ATOM 6469 CA GLU B 412 -0.930 43.062 79.893 1. 00 53.94 C
ATOM 6470 C GLU B 412 -0.726 42.020 78.784 1. 00 54.26 C
ATOM 6471 0 GLU B 412 -1.648 41.258 78.467 1. 00 55.07 0
ATOM 6472 CB GLU B 412 -1.192 44.455 79.308 1. 00 52.94 C
ATOM 6473 N ASP B 413 0.490 41.977 78.230 1. 00 52.86 N
ATOM 6474 CA ASP B 413 0.861 41.001 77.200 1. 00 51.63 C
ATOM 6475 C ASP B 413 0.756 39.561 77.697 1. 00 50.45 C
ATOM 6476 0 ASP B 413 0.247 38.689 76.982 1. 00 51. 42 0
ATOM 6477 CB ASP B 413 2.286 41.249 76.700 1. 00 51.90 C
ATOM 6478 CG ASP B 413 2.440 42.575 75.985 1. 00 56.57 C
ATOM 6479 OD1 ASP B 413 1. 427 43.284 75.787 1. 00 62.78 0
ATOM 6480 OD2 ASP B 413 3.587 42.906 75.614 1. 00 60.51 0
ATOM 6481 N LEU B 414 1. 252 39.313 78.910 1. 00 47.07 N
ATOM 6482 CA LEU B 414 1.188 37.986 79.508 1. 00 45.73 C
ATOM 6483 C LEU B 414 -0.259 37.560 79.745 1. 00 48.38 C
ATOM 6484 0 LEU B 414 -0.604 36.402 79.533 1. 00 48.50 0
ATOM 6485 CB LEU B 414 2.010 37.914 80.806 1. 00 45.51 C
ATOM 6486 CG LEU B 414 2.169 36.565 81.549 1. 00 44.31 C
ATOM 6487 CD1 LEU B 414 2.684 35.448 80.665 1. 00 31.72 C
ATOM 6488 CD2 LEU B 414 3.069 36.718 82.772 1. 00 39.48 C
ATOM 6489 N ILE B 415 -1.101 38.500 80.173 1. 00 53.45 N

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Figure lA-119

Atom Type Residue # X Y Z Oee B Type

ATOM 6490 CA ILE B 415 -2.536 38.223 80.376 1. 00 56.60 C
ATOM 6491 C ILE B 415 -3.233 37.850 79.054 1. 00 58.43 C
ATOM 6492 0 ILE B 415 -4.052 36.919 79.017 1. 00 59.68 0
ATOM 6493 CB ILE B 415 -3.262 39.387 81.118 1. 00 57.09 C
ATOM 6494 CG1 ILE B 415 -2.748 39.497 82.560 1. 00 55.52 C
ATOM 6495 CD1 ILE B 415 -3.019 40.826 83.237 1. 00 58.98 C
ATOM 6496 CG2 ILE B 415 -4.784 39.170 81.118 1. 00 57.82 C
ATOM 6497 N LEU B 416 -2.883 38.558 77.979 1. 00 59.57 N
ATOM 6498 CA LEU B 416 -3.380 38.246 76.635 1. 00 61. 31 C
ATOM 6499 C LEU B 416 -3.039 36.806 76.231 1. 00 62.20 C
ATOM 6500 0 LEU B 416 -3.899 36.080 75.718 1. 00 62.15 0
ATOM 6501 CB LEU B 416 -2.833 39.241 75.603 1. 00 61. 31 C
ATOM 6502 N LEU B 417 -1.792 36.403 76.489 1. 00 62.94 N
ATOM 6503 CA LEU B 417 -1. 302 35.050 76.192 1. 00 63.14 C
ATOM 6504 C LEU B 417 -2.020 33.960 76.991 1. 00 63.95 C
ATOM 6505 0 LEU B 417 -2.295 32.882 76.460 1. 00 63.58 0
ATOM 6506 CB LEU B 417 0.213 34.953 76.427 1. 00 62.48 C
ATOM 6507 CG LEU B 417 1.166 35.714 75.498 1. 00 62.11 C
ATOM 6508 CD1 LEU B 417 2.587 35.642 76.041 1. 00 61.74 C
ATOM 6509 CD2 LEU B 417 1.110 35.193 74.063 1. 00 56.12 C
ATOM 6510 N LEU B 418 -2.303 34.244 78.264 1. 00 65.50 N
ATOM 6511 CA LEU B 418 -3.040 33.323 79.137 1. 00 67.63 C
ATOM 6512 C LEU B 418 -4.467 33.096 78.626 1. 00 69.33 C
ATOM 6513 0 LEU B 418 -4.957 31.961 78.611 1. 00 69.02 0
ATOM 6514 CB LEU B 418 -3.079 33.852 80.574 1. 00 67.16 C
ATOM 6515 CG LEU B 418 -1.810 33.794 81.429 1. 00 66.91 C
ATOM 6516 CD1 LEU B 418 -1.811 34.926 82.454 1. 00 65.17 C
ATOM 6517 CD2 LEU B 418 -1.660 32.434 82.113 1. 00 63.59 C
ATOM 6518 N GLU B 419 -5.115 34.187 78.213 1. 00 70.85 N
ATOM 6519 CA GLU B 419 -6.455 34.141 77.629 1. 00 72.31 C
ATOM 6520 C GLU B 419 -6.457 33.366 76.309 1. 00 73.57 C
ATOM 6521 0 GLU B 419 -7.332 32.525 76.081 1. 00 74.09 0
ATOM 6522 CB GLU B 419 -7.002 35.560 77.426 1. 00 72.12 C
ATOM 6523 N GLU B 420 -5.464 33.639 75.458 1. 00 74.76 N
ATOM 6524 CA GLU B 420 -5.312 32.966 74.159 1. 00 75.42 C
ATOM 6525 C GLU B 420 -4.974 31.479 74.298 1. 00 76.02 C
ATOM 6526 0 GLU B 420 -5.143 30.705 73.352 1. 00 76.19 0
ATOM 6527 CB GLU B 420 -4.249 33.669 73.306 1. 00 75.38 C
ATOM 6528 N CYS B 421 -4.496 31.091 75.477 1. 00 76.58 N
ATOM 6529 CA CYS B 421 -4.174 29.698 75.777 1. 00 77.14 C
ATOM 6530 C CYS B 421 -5.370 28.969 76.410 1. 00 77.61 C
ATOM 6531 0 CYS B 421 -5.415 27.736 76.423 1. 00 77.64 0
ATOM 6532 CB CYS B 421 -2.941 29.628 76.687 1. 00 77.00 C
ATOM 6533 SG CYS B 421 -2.259 27.972 76.958 1. 00 76.79 S
ATOM 6534 N ASP B 422 -6.332 29.737 76.927 1. 00 77.84 N
ATOM 6535 CA ASP B 422 -7.550 29.180 77.525 1. 00 77.57 C
ATOM 6536 C ASP B 422 -8.732 29.256 76.564 1. 00 77.48 C
ATOM 6537 0 ASP B 422 -8.658 28.780 75.432 1. 00 77.34 0
ATOM 6538 CB ASP B 422 -7.893 29.902 78.832 1. 00 77.44 C
TER 6539 ASP B 422
HETATM 6540 N SFG W 1 -9.659 18.049 27.955 1. 00 15.59 N
HETATM 6541 CA SFG W 1 -8.826 18.946 28.806 1. 00 16.80 C
HETATM 6542 CB SFG W 1 -7.358 18.415 28.706 1. 00 17.65 C
HETATM 6543 CG SFG W 1 -6.965 17.333 29.744 1. 00 13 .15 C
HETATM 6544 CD SFG W 1 -7.057 17.709 31.272 1. 00 6.83 C

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Figure lA-120

Atom Type Residue # X Y Z Oee B Type

HETATM 6545 NE SFG W 1 -5.697 17.605 31.891 1. 00 15.54 N
HETATM 6546 C5* SFG W 1 -7.969 16.853 32.186 1. 00 19.35 C
HETATM 6547 C4* SFG W 1 -9.487 16.780 31.875 1. 00 23.27 C
HETATM 6548 C3* SFG W 1 -10.218 15.708 32.670 1. 00 21. 39 C
HETATM 6549 03* SFG W 1 -10.452 16.110 34.000 1. 00 19.40 0
HETATM 6550 C2* SFG W 1 -11.520 15.597 31.909 1. 00 22.24 C
HETATM 6551 02* SFG W 1 -12.294 16.784 32.138 1. 00 28.27 0
HETATM 6552 C1* SFG W 1 -10.975 15.591 30.484 1. 00 21. 43 C
HETATM 6553 04* SFG W 1 -9.808 16.429 30.505 1. 00 20.39 0
HETATM 6554 N9 SFG W 1 -10.613 14.266 29.961 1. 00 19.08 N
HETATM 6555 C4 SFG W 1 -11.475 13.338 29.466 1. 00 19.57 C
HETATM 6556 C5 SFG W 1 -10.689 12.279 29.080 1. 00 13 .16 C
HETATM 6557 N7 SFG W 1 -9.343 12.553 29.346 1. 00 15.55 N
HETATM 6558 C8 SFG W 1 -9.339 13.744 29.858 1. 00 18.64 C
HETATM 6559 N3 SFG W 1 -12.817 13 .442 29.367 1. 00 21. 38 N
HETATM 6560 C2 SFG W 1 -13.347 12.327 28.835 1. 00 15.73 C
HETATM 6561 N1 SFG W 1 -12.730 11.213 28.404 1. 00 19.90 N
HETATM 6562 C6 SFG W 1 -11.370 11.160 28.533 1. 00 19.37 C
HETATM 6563 N6 SFG W 1 -10.757 10.026 28.075 1. 00 16.53 N
HETATM 6564 C SFG W 1 -8.952 20.470 28.552 1. 00 21.00 C
HETATM 6565 0 SFG W 1 -8.170 21.276 29.071 1. 00 17.58 0
HETATM 6566 OXT SFG W 1 -9.843 20.899 27.820 1. 00 21.74 0
HETATM 6567 N SFG W 2 26.240 53.795 99.072 1. 00 25.38 N
HETATM 6568 CA SFG W 2 26.049 54.642 97.871 1. 00 23.18 C
HETATM 6569 CB SFG W 2 24.766 54.188 97.147 1. 00 23.92 C
HETATM 6570 CG SFG W 2 25.072 53.004 96 .182 1. 00 20.64 C
HETATM 6571 CD SFG W 2 25.927 53.407 94.915 1. 00 17.63 C
HETATM 6572 NE SFG W 2 25.048 53.319 93.699 1. 00 30.54 N
HETATM 6573 C5* SFG W 2 27.122 52.482 94.669 1. 00 23.30 C
HETATM 6574 C4* SFG W 2 28.224 52.468 95.743 1. 00 30.93 C
HETATM 6575 C3* SFG W 2 29.326 51.433 95.496 1. 00 26.41 C
HETATM 6576 03* SFG W 2 30.282 51.784 94.513 1. 00 25.46 0
HETATM 6577 C2* SFG W 2 29.935 51.263 96.883 1. 00 21.87 C
HETATM 6578 02* SFG W 2 30.754 52.368 97.203 1. 00 26.43 0
HETATM 6579 C1* SFG W 2 28.673 51.303 97.726 1. 00 28.37 C
HETATM 6580 04* SFG W 2 27.699 52.136 97.054 1. 00 25.94 0
HETATM 6581 N9 SFG W 2 28.085 49.985 97.965 1. 00 23.60 N
HETATM 6582 C4 SFG W 2 28.553 49.074 98.860 1. 00 29.36 C
HETATM 6583 C5 SFG W 2 27.681 48.005 98.763 1. 00 29.79 C
HETATM 6584 N7 SFG W 2 26.683 48.265 97.845 1. 00 27.63 N
HETATM 6585 C8 SFG W 2 26.957 49.459 97.398 1. 00 28.87 C
HETATM 6586 N3 SFG W 2 29.639 49.182 99.654 1. 00 32.05 N
HETATM 6587 C2 SFG W 2 29.811 48.082 100.403 1. 00 27.77 C
HETATM 6588 N1 SFG W 2 29.037 46.977 100.410 1. 00 29.64 N
HETATM 6589 C6 SFG W 2 27.945 46.909 99.606 1. 00 29.00 C
HETATM 6590 N6 SFG W 2 27.179 45.752 99.616 1. 00 26.92 N
HETATM 6591 C SFG W 2 26.085 56.151 98.168 1. 00 26.92 C
HETATM 6592 0 SFG W 2 25.783 56.955 97.266 1. 00 23.75 0
HETATM 6593 OXT SFG W 2 26.422 56.531 99.313 1. 00 26.72 0
HETATM 6594 ZN ZN W 3 -10.166 3.368 30.198 0.80 24.26 ZN
HETATM 6595 ZN ZN W 4 14.195 29.020 53.315 0.80 31. 43 ZN
HETATM 6596 ZN ZN W 5 20.156 19.483 43.875 0.80 31. 38 ZN
HETATM 6597 ZN ZN W 6 10.340 55.463 69.345 0.80 26.49 ZN
HETATM 6598 ZN ZN W 7 20.427 65.345 64.966 0.80 23.89 ZN
HETATM 6599 ZN ZN W 8 27.389 38.979 97.770 0.80 35.41 ZN

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Figure IA-I21

Atom Type Residue # X Y Z Oee B Type

HETATM 6600 0 HOH W 9 1.075 7.285 28.808 1. 00 13.78 0
HETATM 6601 0 HOH W 10 14.383 45.358 83.071 1. 00 17.89 0
HETATM 6602 0 HOH W 11 24.165 38.462 61.854 1. 00 21. 21 0
HETATM 6603 0 HOH W 12 15.936 58.326 89.961 1. 00 20.82 0
HETATM 6604 0 HOH W 13 13 . 063 6.774 34.566 1. 00 16.12 0
HETATM 6605 0 HOH W 14 -0.312 21.021 34.504 1. 00 17.01 0
HETATM 6606 0 HOH W 15 6.775 -2.057 28.220 1. 00 15.52 0
HETATM 6607 0 HOH W 16 17.301 44.580 90.306 1. 00 16.05 0
HETATM 6608 0 HOH W 17 19.281 54.244 67.624 1. 00 19.17 0
HETATM 6609 0 HOH W 18 0.824 4.492 33.357 1. 00 18.14 0
HETATM 6610 0 HOH W 19 -4.776 -1.331 42.106 1. 00 16.00 0
HETATM 6611 0 HOH W 20 -5.897 42.003 41.734 1. 00 16.12 0
HETATM 6612 0 HOH W 21 -2.771 14.588 35.555 1. 00 25.74 0
HETATM 6613 0 HOH W 22 15.225 64.754 67.812 1. 00 16.81 0
HETATM 6614 0 HOH W 23 9.200 9.326 34.839 1. 00 15.82 0
HETATM 6615 0 HOH W 24 16.207 10.716 39.323 1. 00 22.45 0
HETATM 6616 0 HOH W 25 3.090 2.967 27.184 1. 00 19.04 0
HETATM 6617 0 HOH W 26 22.835 32.587 91 .142 1. 00 22.88 0
HETATM 6618 0 HOH W 27 -7.862 10.370 16.820 1. 00 20.06 0
HETATM 6619 0 HOH W 28 13.857 18.436 50.219 1. 00 23.71 0
HETATM 6620 0 HOH W 29 2.178 2.458 35.654 1. 00 18.22 0
HETATM 6621 0 HOH W 30 -5.439 14.810 23.723 1. 00 19.64 0
HETATM 6622 0 HOH W 31 -6.694 21. 452 31.295 1. 00 20.57 0
HETATM 6623 0 HOH W 32 -2.667 -0.564 27.988 1. 00 19.73 0
HETATM 6624 0 HOH W 33 16.471 60.349 72.810 1. 00 16.23 0
HETATM 6625 0 HOH W 34 31.301 77.814 85.231 1. 00 22.19 0
HETATM 6626 0 HOH W 35 3.345 1.645 38.218 1. 00 25.42 0
HETATM 6627 0 HOH W 36 -7.406 30.381 38.936 1. 00 20.93 0
HETATM 6628 0 HOH W 37 12.566 44.928 81.043 1. 00 19.01 0
HETATM 6629 0 HOH W 38 17.908 61.229 70.256 1. 00 19.53 0
HETATM 6630 0 HOH W 39 18.533 62.079 78.167 1. 00 18.88 0
HETATM 6631 0 HOH W 40 13 . 042 -15.207 41.907 1. 00 24.09 0
HETATM 6632 0 HOH W 41 4.723 -15.360 47.849 1. 00 21. 30 0
HETATM 6633 0 HOH W 42 13.690 65.191 75.036 1. 00 25.00 0
HETATM 6634 0 HOH W 43 28.713 60.346 65.597 1. 00 22.11 0
HETATM 6635 0 HOH W 44 -14.441 13.631 21.872 1. 00 27.10 0
HETATM 6636 0 HOH W 45 30.615 52.582 75.043 1. 00 19.11 0
HETATM 6637 0 HOH W 46 20.466 50.706 100.399 1. 00 26.08 0
HETATM 6638 0 HOH W 47 -1.437 5.071 17.577 1. 00 21.76 0
HETATM 6639 0 HOH W 48 20.443 38.250 86.109 1. 00 20.61 0
HETATM 6640 0 HOH W 49 -3.865 2.408 34.026 1. 00 16.45 0
HETATM 6641 0 HOH W 50 -1.726 26.089 21.442 1. 00 25.07 0
HETATM 6642 0 HOH W 51 12.824 12.251 18.363 1. 00 24.69 0
HETATM 6643 0 HOH W 52 10.892 - 0.113 38.747 1. 00 20.30 0
HETATM 6644 0 HOH W 53 -0.201 16.701 50.408 1. 00 24.94 0
HETATM 6645 0 HOH W 54 25.252 63.706 74.129 1. 00 23.59 0
HETATM 6646 0 HOH W 55 -11.369 31.702 45.694 1. 00 26.06 0
HETATM 6647 0 HOH W 56 31.331 69.001 68.609 1. 00 23.89 0
HETATM 6648 0 HOH W 57 10.825 46.858 75.291 1. 00 21.98 0
HETATM 6649 0 HOH W 58 -2.667 -2.971 29.420 1. 00 23.63 0
HETATM 6650 0 HOH W 59 12.640 28.514 85.258 1. 00 26.63 0
HETATM 6651 0 HOH W 60 15.448 22.435 82.050 1. 00 21.65 0
HETATM 6652 0 HOH W 61 9.210 -7.491 32.303 1. 00 22.03 0
HETATM 6653 0 HOH W 62 -11.671 -4.189 41.148 1. 00 22.74 0
HETATM 6654 0 HOH W 63 24.067 67.255 74.848 1. 00 21.05 0

121/138
WO 2008/137834 peTIUS2008/062636

Figure IA-122

Atom Type Residue # X Y Z Oee B Type

HETATM 6655 0 HOH W 64 5.215 -5.537 27.444 1. 00 24.00 0
HETATM 6656 0 HOH W 65 -11.997 18.705 29.508 1. 00 22.25 0
HETATM 6657 0 HOH W 66 16.913 20.284 90.378 1. 00 28.19 0
HETATM 6658 0 HOH W 67 4.305 22.253 29.952 1. 00 25.39 0
HETATM 6659 0 HOH W 68 7.706 8.290 27.978 1. 00 20.75 0
HETATM 6660 0 HOH W 69 15.393 10.913 43.920 1. 00 22.68 0
HETATM 6661 0 HOH W 70 11.867 8.968 35.587 1. 00 17.90 0
HETATM 6662 0 HOH W 71 -2.483 6.164 39.623 1. 00 26.80 0
HETATM 6663 0 HOH W 72 10.972 21.855 45.880 1. 00 26.91 0
HETATM 6664 0 HOH W 73 13.098 24.167 44.562 1. 00 22.36 0
HETATM 6665 0 HOH W 74 1.126 9.852 32.633 1. 00 20.10 0
HETATM 6666 0 HOH W 75 2.839 5.380 35.307 1. 00 17.65 0
HETATM 6667 0 HOH W 76 30.759 53.652 77.895 1. 00 20.44 0
HETATM 6668 0 HOH W 77 25.770 57.292 94.631 1. 00 20.95 0
HETATM 6669 0 HOH W 78 3.900 6.058 30.860 1. 00 22.17 0
HETATM 6670 0 HOH W 79 6.567 -14.789 39.266 1. 00 20.95 0
HETATM 6671 0 HOH W 80 10.892 45.307 73.145 1. 00 23.99 0
HETATM 6672 0 HOH W 81 22.143 56.860 88.463 1. 00 20.69 0
HETATM 6673 0 HOH W 82 17.288 -13.723 38.002 1. 00 22.08 0
HETATM 6674 0 HOH W 83 1.963 0.040 28.306 1. 00 20.18 0
HETATM 6675 0 HOH W 84 9.598 34.622 52.226 1. 00 33.52 0
HETATM 6676 0 HOH W 85 12.344 33.917 90.008 1. 00 26.28 0
HETATM 6677 0 HOH W 86 10.812 42.735 81.092 1. 00 23.76 0
HETATM 6678 0 HOH W 87 -14.294 6.901 34.895 1. 00 26.09 0
HETATM 6679 0 HOH W 88 12.113 2.064 57.928 1. 00 29.95 0
HETATM 6680 0 HOH W 89 21.846 57.350 67.689 1. 00 21.65 0
HETATM 6681 0 HOH W 90 -3.274 -2.480 26.031 1. 00 25.42 0
HETATM 6682 0 HOH W 91 -2.468 15.534 30.464 1. 00 18.28 0
HETATM 6683 0 HOH W 92 -10.586 3.520 23.086 1. 00 23.45 0
HETATM 6684 0 HOH W 93 14.620 64.777 60.552 1. 00 27.38 0
HETATM 6685 0 HOH W 94 19.658 69.153 74.432 1. 00 21.69 0
HETATM 6686 0 HOH W 95 10.217 -0.740 22.436 1. 00 27.28 0
HETATM 6687 0 HOH W 96 14.294 47.059 72.191 1. 00 25.54 0
HETATM 6688 0 HOH W 97 24.623 20.502 74.167 1. 00 28.64 0
HETATM 6689 0 HOH W 98 2.659 8.730 30.649 1. 00 20.62 0
HETATM 6690 0 HOH W 99 30.891 66.233 88.687 1. 00 25.77 0
HETATM 6691 0 HOH W 100 14.976 35.832 78.800 1. 00 22.13 0
HETATM 6692 0 HOH W 101 5.147 27.955 48.089 1. 00 21.62 0
HETATM 6693 0 HOH W 102 12.550 49.073 75.564 1. 00 24.16 0
HETATM 6694 0 HOH W 103 14.736 61.555 74.675 1. 00 22.66 0
HETATM 6695 0 HOH W 104 -9.730 3.575 42.404 1. 00 22.10 0
HETATM 6696 0 HOH W 105 14.797 13.060 40.330 1. 00 24.32 0
HETATM 6697 0 HOH W 106 27.348 51.397 87.211 1. 00 23.89 0
HETATM 6698 0 HOH W 107 -4.375 -0.592 33.461 1. 00 22.65 0
HETATM 6699 0 HOH W 108 3.049 29.906 57.311 1. 00 26.80 0
HETATM 6700 0 HOH W 109 -4.938 1.152 43.138 1. 00 26.85 0
HETATM 6701 0 HOH W 110 -2.418 -3.201 32.600 1. 00 23.18 0
HETATM 6702 0 HOH W 111 -10.909 -9.524 32.097 1. 00 25.46 0
HETATM 6703 0 HOH W 112 5.658 30.680 47.263 1. 00 27.33 0
HETATM 6704 0 HOH W 113 -4.323 -0.892 48.320 1. 00 24.15 0
HETATM 6705 0 HOH W 114 8.516 26.103 41.277 1. 00 24.16 0
HETATM 6706 0 HOH W 115 -6.437 37.838 42.754 1. 00 25.93 0
HETATM 6707 0 HOH W 116 -19.633 -2.080 26.391 1. 00 33.11 0
HETATM 6708 0 HOH W 117 24.594 37.935 90.916 1. 00 20.31 0
HETATM 6709 0 HOH W 118 6.699 6.210 45.106 1. 00 27.64 0

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Figure IA-I23

Atom Type Residue # X Y Z Oee B Type

HETATM 6710 0 HOH W 119 26.442 47.790 73.159 1. 00 26.48 0
HETATM 6711 0 HOH W 120 16.291 3.537 37.411 1. 00 25.12 0
HETATM 6712 0 HOH W 121 29.713 34.521 84.435 1. 00 24.05 0
HETATM 6713 0 HOH W 122 17.764 43.055 92.362 1. 00 23.25 0
HETATM 6714 0 HOH W 123 13.829 0.206 20.655 1. 00 27.83 0
HETATM 6715 0 HOH W 124 1.708 12.448 36.382 1. 00 29.91 0
HETATM 6716 0 HOH W 125 2.318 4.724 29.173 1. 00 20.53 0
HETATM 6717 0 HOH W 126 16.872 28.739 47.979 1. 00 29.08 0
HETATM 6718 0 HOH W 127 9.227 47.323 77.936 1. 00 25.39 0
HETATM 6719 0 HOH W 128 21.740 48.056 85.902 1. 00 23.62 0
HETATM 6720 0 HOH W 129 -1.248 24.415 19.173 1. 00 23.90 0
HETATM 6721 0 HOH W 130 20.387 40.328 88.817 1. 00 25.74 0
HETATM 6722 0 HOH W 131 -13.829 -7.308 35.346 1. 00 27.99 0
HETATM 6723 0 HOH W 132 20.885 77.383 84.679 1. 00 28.23 0
HETATM 6724 0 HOH W 133 13.576 49.356 78.013 1. 00 24.66 0
HETATM 6725 0 HOH W 134 13.399 25.298 47.181 1. 00 26.49 0
HETATM 6726 0 HOH W 135 -10.385 -7.189 26.236 1. 00 31.79 0
HETATM 6727 0 HOH W 136 16.373 42.279 89.335 1. 00 27.61 0
HETATM 6728 0 HOH W 137 -9.499 -15.468 40.306 1. 00 30.69 0
HETATM 6729 0 HOH W 138 25.582 40.735 75.034 1. 00 27.08 0
HETATM 6730 0 HOH W 139 7.389 31.332 42.446 1. 00 22.14 0
HETATM 6731 0 HOH W 140 4.882 6.149 33.687 1. 00 21. 25 0
HETATM 6732 0 HOH W 141 17.143 41.907 86.534 1. 00 24.96 0
HETATM 6733 0 HOH W 142 -11.597 7.460 27.374 1. 00 23.44 0
HETATM 6734 0 HOH W 143 19.514 71.169 76.360 1. 00 25.54 0
HETATM 6735 0 HOH W 144 24.766 35.449 91.491 1. 00 25.98 0
HETATM 6736 0 HOH W 145 8.671 -13.541 36.004 1. 00 23.51 0
HETATM 6737 0 HOH W 146 15.087 20.923 74.732 1. 00 30.89 0
HETATM 6738 0 HOH W 147 -10.343 -5.209 43.372 1. 00 28.92 0
HETATM 6739 0 HOH W 148 7.012 8.277 33.434 1. 00 23.31 0
HETATM 6740 0 HOH W 149 -13.403 -5.461 39.990 1. 00 32.19 0
HETATM 6741 0 HOH W 150 3.699 1.108 23.131 1. 00 24.61 0
HETATM 6742 0 HOH W 151 -1.267 4.388 51.076 1. 00 27.04 0
HETATM 6743 0 HOH W 152 26.604 75.656 78.086 1. 00 24.47 0
HETATM 6744 0 HOH W 153 -0.101 3.226 29.557 1. 00 22.03 0
HETATM 6745 0 HOH W 154 -10.544 -12.952 42.071 1. 00 26.20 0
HETATM 6746 0 HOH W 155 2.937 33.264 56.319 1. 00 30.99 0
HETATM 6747 0 HOH W 156 2.057 40.006 45.488 1. 00 26.85 0
HETATM 6748 0 HOH W 157 -9.203 -5.191 50.337 1. 00 31. 23 0
HETATM 6749 0 HOH W 158 29.512 25.885 96.086 1. 00 30.28 0
HETATM 6750 0 HOH W 159 11.583 44.542 89.638 1. 00 30.74 0
HETATM 6751 0 HOH W 160 -9.580 -13.877 37.841 1. 00 27.50 0
HETATM 6752 0 HOH W 161 33.819 39.169 87.024 1. 00 25.94 0
HETATM 6753 0 HOH W 162 16.232 8.952 20.995 1. 00 25.96 0
HETATM 6754 0 HOH W 163 24.571 48.463 85.244 1. 00 32.91 0
HETATM 6755 0 HOH W 164 -8.881 -9.654 29.146 1. 00 27.25 0
HETATM 6756 0 HOH W 165 -8.139 1.073 25.650 1. 00 25.84 0
HETATM 6757 0 HOH W 166 10.896 60.493 87.127 1. 00 29.70 0
HETATM 6758 0 HOH W 167 20.829 32.889 93.813 1. 00 35.88 0
HETATM 6759 0 HOH W 168 -7.006 -11.309 31.885 1. 00 30.83 0
HETATM 6760 0 HOH W 169 -6.596 -0.976 45.089 1. 00 31.01 0
HETATM 6761 0 HOH W 170 16.240 11.177 36.187 1. 00 25.76 0
HETATM 6762 0 HOH W 171 14.512 42.063 71.954 1. 00 28.58 0
HETATM 6763 0 HOH W 172 -6.560 35.678 44.492 1. 00 26.86 0
HETATM 6764 0 HOH W 173 -9.174 34.386 44.689 1. 00 27.11 0

123/138
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Figure IA-124

Atom Type Residue # X Y Z Oee B Type

HETATM 6765 0 HOH W 174 9.413 33.254 45.081 1. 00 30.14 0
HETATM 6766 0 HOH W 175 -0.248 0.847 27.923 1. 00 21.60 0
HETATM 6767 0 HOH W 176 11.490 21.473 51.521 1. 00 27.94 0
HETATM 6768 0 HOH W 177 15.059 38.901 92.810 1. 00 25.96 0
HETATM 6769 0 HOH W 178 18.672 61.874 56.105 1. 00 33.99 0
HETATM 6770 0 HOH W 179 19.003 57.614 72.955 1. 00 24.36 0
HETATM 6771 0 HOH W 180 19.176 -2.641 40.272 1. 00 26.58 0
HETATM 6772 0 HOH W 181 36.571 51.595 89.352 1. 00 29.22 0
HETATM 6773 0 HOH W 182 27.247 49.628 84.777 1. 00 32.45 0
HETATM 6774 0 HOH W 183 29.001 54.452 99.082 1. 00 28.07 0
HETATM 6775 0 HOH W 184 12.341 62.954 85.996 1. 00 28.56 0
HETATM 6776 0 HOH W 185 32.797 34.928 82.881 1. 00 31. 29 0
HETATM 6777 0 HOH W 186 -8.751 30.485 34.758 1. 00 27.19 0
HETATM 6778 0 HOH W 187 -13.016 15.880 41.409 1. 00 28.23 0
HETATM 6779 0 HOH W 188 21.751 42.059 76.501 1. 00 28.35 0
HETATM 6780 0 HOH W 189 20.376 67.382 77.862 1. 00 25.96 0
HETATM 6781 0 HOH W 190 35.127 30.760 86.391 1. 00 34.82 0
HETATM 6782 0 HOH W 191 17.848 16.187 38.398 1. 00 27.44 0
HETATM 6783 0 HOH W 192 4.655 59.947 64.557 1. 00 26.63 0
HETATM 6784 0 HOH W 193 26.619 41.811 85.687 1. 00 30.03 0
HETATM 6785 0 HOH W 194 15.520 44.054 85.381 1. 00 28.83 0
HETATM 6786 0 HOH W 195 3.198 41.521 36.660 1. 00 27.90 0
HETATM 6787 0 HOH W 196 2.593 -6.914 56.458 1. 00 37.16 0
HETATM 6788 0 HOH W 197 -14.909 15.995 32.551 1. 00 31.91 0
HETATM 6789 0 HOH W 198 9.836 24.763 29.519 1. 00 30.06 0
HETATM 6790 0 HOH W 199 20.249 36.003 75.145 1. 00 34.66 0
HETATM 6791 0 HOH W 200 3.605 1.161 16.056 1. 00 29.95 0
HETATM 6792 0 HOH W 201 -17.636 11.118 31.187 1. 00 28.93 0
HETATM 6793 0 HOH W 202 -13.057 -10.129 34.262 1. 00 30.99 0
HETATM 6794 0 HOH W 203 34.879 31.683 88.943 1. 00 29.07 0
HETATM 6795 0 HOH W 204 20.310 35.320 95.170 1. 00 27.32 0
HETATM 6796 0 HOH W 205 9.132 52.144 75.220 1. 00 28.19 0
HETATM 6797 0 HOH W 206 11.216 3.511 44.514 1. 00 33.00 0
HETATM 6798 0 HOH W 207 30.750 34.369 80.978 1. 00 28.94 0
HETATM 6799 0 HOH W 208 -14.787 15.276 30.104 1. 00 25.51 0
HETATM 6800 0 HOH W 209 -6.130 35.630 47.416 1. 00 29.83 0
HETATM 6801 0 HOH W 210 16.941 35.564 92.319 1. 00 35.37 0
HETATM 6802 0 HOH W 211 13 .833 37.681 72.673 1. 00 27.97 0
HETATM 6803 0 HOH W 212 3.768 10.694 36.637 1. 00 30.42 0
HETATM 6804 0 HOH W 213 9.166 -8.439 25.797 1. 00 29.24 0
HETATM 6805 0 HOH W 214 14.156 29.000 41.196 1. 00 35.17 0
HETATM 6806 0 HOH W 215 -6.445 3.893 22.564 1. 00 33.58 0
HETATM 6807 0 HOH W 216 21. 517 67.216 75.170 1. 00 28.64 0
HETATM 6808 0 HOH W 217 -12.895 23.046 23.847 1. 00 35.16 0
HETATM 6809 0 HOH W 218 29.581 54.373 71.922 1. 00 31.93 0
HETATM 6810 0 HOH W 219 -10.026 5.951 43.485 1. 00 36.69 0
HETATM 6811 0 HOH W 220 23.517 70.903 68.468 1. 00 29.55 0
HETATM 6812 0 HOH W 221 -3.286 17.560 12.595 1. 00 30.07 0
HETATM 6813 0 HOH W 222 17.460 9.072 41.425 1. 00 29.57 0
HETATM 6814 0 HOH W 223 9.188 52.240 63.022 1. 00 31. 35 0
HETATM 6815 0 HOH W 224 5.831 58.124 62.102 1. 00 34.51 0
HETATM 6816 0 HOH W 225 2.535 40.473 47.729 1. 00 31.76 0
HETATM 6817 0 HOH W 226 35.497 69.953 84.845 1. 00 30.54 0
HETATM 6818 0 HOH W 227 23.387 56.134 64.247 1. 00 32.30 0
HETATM 6819 0 HOH W 228 15.377 67.092 61.525 1. 00 37.85 0

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Figure IA-125

Atom Type Residue # X Y Z Oee B Type

HETATM 6820 0 HOH W 229 -0.880 12.737 38.470 1. 00 28.31 0
HETATM 6821 0 HOH W 230 34.582 70.795 74.670 1. 00 40.23 0
HETATM 6822 0 HOH W 231 34.163 52.863 91.085 1. 00 30.51 0
HETATM 6823 0 HOH W 232 9.526 21.153 22.998 1. 00 31.50 0
HETATM 6824 0 HOH W 233 28.375 58.214 63.635 1. 00 26.98 0
HETATM 6825 0 HOH W 234 12.659 13.216 38.548 1. 00 29.12 0
HETATM 6826 0 HOH W 235 19.923 41.203 86.352 1. 00 33.31 0
HETATM 6827 0 HOH W 236 7.525 -16.711 48.109 1. 00 27.26 0
HETATM 6828 0 HOH W 237 1.775 -20.003 52.087 1. 00 39.48 0
HETATM 6829 0 HOH W 238 2.018 -15.323 47.089 1. 00 35.55 0
HETATM 6830 0 HOH W 239 -9.710 42.856 47.158 1. 00 30.82 0
HETATM 6831 0 HOH W 240 -11.328 22.958 28.541 1. 00 22.75 0
HETATM 6832 0 HOH W 241 21.693 51.529 93.088 1. 00 26.86 0
HETATM 6833 0 HOH W 242 -4.009 15.647 38.618 1. 00 23.62 0
HETATM 6834 0 HOH W 243 21.074 38.291 61.740 1. 00 38.94 0
HETATM 6835 0 HOH W 244 28.206 53.072 79.340 1. 00 31.15 0
HETATM 6836 0 HOH W 245 1. 289 0.140 21.585 1. 00 26.79 0
HETATM 6837 0 HOH W 246 32.790 34.980 78.855 1. 00 30.26 0
HETATM 6838 0 HOH W 247 14.124 3.311 44.671 1. 00 28.67 0
HETATM 6839 0 HOH W 248 -0.078 12.028 34.079 1. 00 31.59 0
HETATM 6840 0 HOH W 249 30.268 65.982 59.669 1. 00 31.65 0
HETATM 6841 0 HOH W 250 17.142 36.387 79.817 1. 00 44.09 0
HETATM 6842 0 HOH W 251 -17.568 21.976 34.896 1. 00 41. 37 0
HETATM 6843 0 HOH W 252 -11.170 19.870 39.550 1. 00 29.03 0
HETATM 6844 0 HOH W 253 -11.887 17.046 39.310 1. 00 29.39 0
HETATM 6845 0 HOH W 254 22.565 19.337 72.440 1. 00 29.80 0
HETATM 6846 0 HOH W 255 29.450 4.516 27.106 1. 00 31. 44 0
HETATM 6847 0 HOH W 256 8.244 -4.651 24.474 1. 00 40.44 0
HETATM 6848 0 HOH W 257 22.769 58.053 53.234 1. 00 32.88 0
HETATM 6849 0 HOH W 258 37.879 78.638 82.324 1. 00 37.43 0
HETATM 6850 0 HOH W 259 15.124 12.041 20.179 1. 00 36.43 0
HETATM 6851 0 HOH W 260 3.500 11.588 45.307 1. 00 34.04 0
HETATM 6852 0 HOH W 261 15.750 65.520 65.263 1. 00 31. 28 0
HETATM 6853 0 HOH W 262 -1.617 18.054 47.883 1. 00 25.89 0
HETATM 6854 0 HOH W 263 19.928 46.240 84.256 1. 00 29.89 0
HETATM 6855 0 HOH W 264 9.701 -12.955 51.884 1. 00 32.60 0
HETATM 6856 0 HOH W 265 28.007 53.481 81.979 1. 00 34.21 0
HETATM 6857 0 HOH W 266 33.927 55.489 90.241 1. 00 29.11 0
HETATM 6858 0 HOH W 267 12.948 36.975 95.732 1. 00 36.57 0
HETATM 6859 0 HOH W 268 16.916 40.712 91.483 1. 00 27.82 0
HETATM 6860 0 HOH W 269 17.975 39.359 73.660 1. 00 38.82 0
HETATM 6861 0 HOH W 270 2.724 32.641 33.318 1. 00 31.56 0
HETATM 6862 0 HOH W 271 15.227 5.955 44.272 1. 00 32.60 0
HETATM 6863 0 HOH W 272 25.593 59.067 59.831 1. 00 35.00 0
HETATM 6864 0 HOH W 273 4.287 40.349 44.864 1. 00 31.99 0
HETATM 6865 0 HOH W 274 7.883 56.857 92.775 1. 00 36.26 0
HETATM 6866 0 HOH W 275 -9.173 -3.431 32.622 1. 00 28.70 0
HETATM 6867 0 HOH W 276 17.126 -8.935 25.047 1. 00 31. 43 0
HETATM 6868 0 HOH W 277 8.146 0.874 40.239 1. 00 41.66 0
HETATM 6869 0 HOH W 278 6.297 55.252 62.445 1. 00 33.10 0
HETATM 6870 0 HOH W 279 -10.364 39.604 36.014 1. 00 33.73 0
HETATM 6871 0 HOH W 280 21.045 43.269 86.815 1. 00 31. 29 0
HETATM 6872 0 HOH W 281 24.260 49.967 89.446 1. 00 41.74 0
HETATM 6873 0 HOH W 282 19.238 38.851 92.470 1. 00 26.90 0
HETATM 6874 0 HOH W 283 33.228 71.575 83.489 1. 00 30.37 0

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Figure IA-126

Atom Type Residue # X Y Z Oee B Type

HETATM 6875 0 HOH W 284 23.002 53.728 63.338 1. 00 28.86 0
HETATM 6876 0 HOH W 285 26.688 51.381 77.853 1. 00 32.50 0
HETATM 6877 0 HOH W 286 -5.535 35.931 51.008 1. 00 35.05 0
HETATM 6878 0 HOH W 287 15.819 39.547 72.368 1. 00 28.12 0
HETATM 6879 0 HOH W 288 4.196 11.787 49.491 1. 00 32.90 0
HETATM 6880 0 HOH W 289 13.290 25.540 42.137 1. 00 35.58 0
HETATM 6881 0 HOH W 290 -4.369 18.797 48.056 1. 00 31. 22 0
HETATM 6882 0 HOH W 291 7.202 24.060 57.383 1. 00 33.05 0
HETATM 6883 0 HOH W 292 25.803 20.186 89.700 1. 00 32.78 0
HETATM 6884 0 HOH W 293 18.868 21.288 80.717 1. 00 29.49 0
HETATM 6885 0 HOH W 294 15.546 33.024 59.774 1. 00 32.00 0
HETATM 6886 0 HOH W 295 1.056 14.054 42.363 1. 00 33.15 0
HETATM 6887 0 HOH W 296 12.492 32.925 56.318 1. 00 33.21 0
HETATM 6888 0 HOH W 297 17.771 9.889 44.050 1. 00 36.97 0
HETATM 6889 0 HOH W 298 20.061 64.644 55.896 1. 00 32.26 0
HETATM 6890 0 HOH W 299 26.343 26.121 97.369 1. 00 32.70 0
HETATM 6891 0 HOH W 300 28.531 65.688 57.950 1. 00 35.43 0
HETATM 6892 0 HOH W 301 31.522 21.956 90.368 1. 00 34.35 0
HETATM 6893 0 HOH W 302 14.973 1.189 43.387 1. 00 31. 28 0
HETATM 6894 0 HOH W 303 30.122 44.534 101.848 1. 00 43.11 0
HETATM 6895 0 HOH W 304 -14.622 20.656 22.812 1. 00 37.19 0
HETATM 6896 0 HOH W 305 24.723 47.370 77.493 1. 00 32.34 0
HETATM 6897 0 HOH W 306 38.883 49.109 92.008 1. 00 27.97 0
HETATM 6898 0 HOH W 307 25.955 66.163 73.237 1. 00 33.02 0
HETATM 6899 0 HOH W 308 18.845 52.177 61.282 1. 00 35.17 0
HETATM 6900 0 HOH W 309 23.139 46.616 72.902 1. 00 31. 38 0
HETATM 6901 0 HOH W 310 9.531 39.679 76.971 1. 00 30.78 0
HETATM 6902 0 HOH W 311 13 . 944 29.977 91.270 1. 00 35.81 0
HETATM 6903 0 HOH W 312 7.680 3.428 42.736 1. 00 37.98 0
HETATM 6904 0 HOH W 313 4.530 6.497 11.697 1. 00 31.98 0
HETATM 6905 0 HOH W 314 36.386 71.260 79.891 1. 00 38.03 0
HETATM 6906 0 HOH W 315 26.469 24.594 94.314 1. 00 37.24 0
HETATM 6907 0 HOH W 316 24.260 76.312 77.557 1. 00 34.00 0
HETATM 6908 0 HOH W 317 27.248 5.829 28.275 1. 00 35.47 0
HETATM 6909 0 HOH W 318 -15.569 1.965 39.167 1. 00 28.98 0
HETATM 6910 0 HOH W 319 22.706 23.055 68.662 1. 00 33.59 0
HETATM 6911 0 HOH W 320 12.267 45.812 70.857 1. 00 30.52 0
HETATM 6912 0 HOH W 321 28.919 33.145 63.629 1. 00 37.99 0
HETATM 6913 0 HOH W 322 -16.354 13 .444 40.704 1. 00 25.34 0
HETATM 6914 0 HOH W 323 11.635 59.231 77.219 1. 00 31.81 0
HETATM 6915 0 HOH W 324 1.718 -0.254 40.745 1. 00 36.60 0
HETATM 6916 0 HOH W 325 -0.462 17.303 45.394 1. 00 31.86 0
HETATM 6917 0 HOH W 326 27.077 43.272 100.979 1. 00 30.73 0
HETATM 6918 0 HOH W 327 34.501 22.551 87.211 1. 00 35.89 0
HETATM 6919 0 HOH W 328 27.233 76.453 75.779 1. 00 32.26 0
HETATM 6920 0 HOH W 329 -16.821 7.335 42.571 1. 00 42.66 0
HETATM 6921 0 HOH W 330 10.642 19.105 21.962 1. 00 39.34 0
HETATM 6922 0 HOH W 331 13.785 63.483 83.959 1. 00 35.72 0
HETATM 6923 0 HOH W 332 -0.285 32.246 32.460 1. 00 32.74 0
HETATM 6924 0 HOH W 333 18.505 -13.685 44.162 1. 00 36.41 0
HETATM 6925 0 HOH W 334 30.528 54.094 82.085 1. 00 42.13 0
HETATM 6926 0 HOH W 335 32.187 73.843 84.968 1. 00 31. 31 0
HETATM 6927 0 HOH W 336 33.835 31.291 92.771 1. 00 36.39 0
HETATM 6928 0 HOH W 337 0.495 34.705 33.704 1. 00 30.45 0
HETATM 6929 0 HOH W 338 22.538 57.638 58.697 1. 00 30.36 0

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Figure IA-127

Atom Type Residue # X Y Z Oee B Type

HETATM 6930 0 HOH W 339 5.841 4.236 39.319 1. 00 41.06 0
HETATM 6931 0 HOH W 340 20.358 -9.790 49.889 1. 00 34.62 0
HETATM 6932 0 HOH W 341 17.832 44.501 84.729 1. 00 35.16 0
HETATM 6933 0 HOH W 342 -15.377 -2.528 34.851 1. 00 39.18 0
HETATM 6934 0 HOH W 343 37.811 74.409 80.203 1. 00 41. 33 0
HETATM 6935 0 HOH W 344 25.244 2.936 34.747 1. 00 32.41 0
HETATM 6936 0 HOH W 345 6.957 53.935 71.085 1. 00 28.41 0
HETATM 6937 0 HOH W 346 -12.761 -4.377 37.558 1. 00 19.87 0
HETATM 6938 0 HOH W 347 17.210 1. 207 41.664 1. 00 24.03 0
HETATM 6939 0 HOH W 348 24.090 51.516 90.703 1. 00 39.12 0
HETATM 6940 0 HOH W 349 -4.069 32.420 28.847 1. 00 35.04 0
HETATM 6941 0 HOH W 350 34.223 71.056 78.532 1. 00 45.93 0
HETATM 6942 0 HOH W 351 17.794 55.777 59.089 1. 00 37.54 0
HETATM 6943 0 HOH W 352 -0.175 -7.875 27.428 1. 00 39.92 0
HETATM 6944 0 HOH W 353 37.967 67.437 85.099 1. 00 36.75 0
HETATM 6945 0 HOH W 354 -2.987 15.345 33.783 1. 00 36.78 0
HETATM 6946 0 HOH W 355 24.473 42.615 84.077 1. 00 43.85 0
HETATM 6947 0 HOH W 356 7.490 10.738 48.158 1. 00 28.78 0
HETATM 6948 0 HOH W 357 14.662 62.559 78.989 1. 00 40.10 0
HETATM 6949 0 HOH W 358 2.596 -15.378 30.400 1. 00 39.68 0
HETATM 6950 0 HOH W 359 -12.151 -15.144 44.004 1. 00 38.45 0
HETATM 6951 0 HOH W 360 -18.159 3.857 28.420 1. 00 52.87 0
HETATM 6952 0 HOH W 361 31.960 40.447 75.032 1. 00 33.98 0
HETATM 6953 0 HOH W 362 14.141 7.661 20.888 1. 00 34.07 0
HETATM 6954 0 HOH W 363 7.001 18.784 18.371 1. 00 39.60 0
HETATM 6955 0 HOH W 364 8.376 -0.256 44.519 1. 00 42.47 0
HETATM 6956 0 HOH W 365 -2.733 -0.829 55.308 1. 00 37.98 0
HETATM 6957 0 HOH W 366 -19.022 -2.138 28.827 1. 00 38.73 0
HETATM 6958 0 HOH W 367 31.542 36.776 78.152 1. 00 37.34 0
HETATM 6959 0 HOH W 368 19.054 -3.348 22.542 1. 00 38.60 0
HETATM 6960 0 HOH W 369 -10.775 35.907 38.677 1. 00 35.27 0
HETATM 6961 0 HOH W 370 -17.614 5.974 38.630 1. 00 56.94 0
HETATM 6962 0 HOH W 371 29.056 52.678 70.301 1. 00 54.19 0
HETATM 6963 0 HOH W 372 9.088 -12.276 31.115 1. 00 37.11 0
HETATM 6964 0 HOH W 373 1. 470 7.784 35.296 1. 00 37.46 0
HETATM 6965 0 HOH W 374 13.600 41.359 69.904 1. 00 33.22 0
HETATM 6966 0 HOH W 375 15.890 38.152 95.849 1. 00 39.17 0
HETATM 6967 0 HOH W 376 -10.727 35.812 43.489 1. 00 45.74 0
HETATM 6968 0 HOH W 377 21.787 67.785 90.269 1. 00 34.98 0
HETATM 6969 0 HOH W 378 -3.027 2.682 41.941 1. 00 32.81 0
HETATM 6970 0 HOH W 379 20.553 73.792 76.358 1. 00 40.41 0
HETATM 6971 0 HOH W 380 35.363 34.929 72.065 1. 00 35.57 0
HETATM 6972 0 HOH W 381 19.819 25.617 65.842 1. 00 41. 40 0
HETATM 6973 0 HOH W 382 4.103 4.836 47.616 1. 00 36.10 0
HETATM 6974 0 HOH W 383 25.267 46.084 82.127 1. 00 40.07 0
HETATM 6975 0 HOH W 384 -15.750 15.655 42.512 1. 00 37.75 0
HETATM 6976 0 HOH W 385 26.772 49.291 106.790 1. 00 51.51 0
HETATM 6977 0 HOH W 386 19.827 45.786 89.421 1. 00 29.70 0
HETATM 6978 0 HOH W 387 9.115 27.496 64.017 1. 00 44.75 0
HETATM 6979 0 HOH W 388 23.596 69.444 63.549 1. 00 30.79 0
HETATM 6980 0 HOH W 389 -1.714 17.625 43.126 1. 00 33.86 0
HETATM 6981 0 HOH W 390 -5.858 -2.925 24.899 1. 00 41.17 0
HETATM 6982 0 HOH W 391 8.113 58.717 72.855 1. 00 39.54 0
HETATM 6983 0 HOH W 392 -4.400 -15.887 35.454 1. 00 34.41 0
HETATM 6984 0 HOH W 393 -0.425 9.894 8.756 1. 00 40.88 0

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Figure IA-128

Atom Type Residue # X Y Z Oee B Type

HETATM 6985 0 HOH W 394 7.978 46.244 110.321 1. 00 42.06 0
HETATM 6986 0 HOH W 395 39.320 51.332 90.509 1. 00 41. 22 0
HETATM 6987 0 HOH W 396 -1.728 -11.505 53.331 1. 00 32.52 0
HETATM 6988 0 HOH W 397 18.323 69.411 78.372 1. 00 39.07 0
HETATM 6989 0 HOH W 398 20.528 35.881 82.100 1. 00 29.10 0
HETATM 6990 0 HOH W 399 28.558 15.705 70.215 1. 00 37.70 0
HETATM 6991 0 HOH W 400 21.707 44.310 83.135 1. 00 33.86 0
HETATM 6992 0 HOH W 401 -1.999 -2.319 24.023 1. 00 40.48 0
HETATM 6993 0 HOH W 402 16.704 51.567 59.840 1. 00 43.93 0
HETATM 6994 0 HOH W 403 10.397 -10.158 30.308 1. 00 39.05 0
HETATM 6995 0 HOH W 404 -15.922 19.080 24.692 1. 00 43.84 0
HETATM 6996 0 HOH W 405 17.749 29.352 50.578 1. 00 29.25 0
HETATM 6997 0 HOH W 406 1. 243 2.345 25.075 1. 00 36.87 0
HETATM 6998 0 HOH W 407 -15.488 19.225 31.661 1. 00 46.37 0
HETATM 6999 0 HOH W 408 22.284 14.429 45.705 1. 00 53.40 0
HETATM 7000 0 HOH W 409 36.352 71.646 77.364 1. 00 37.63 0
HETATM 7001 0 HOH W 410 4.440 -0.295 39.333 1. 00 35.58 0
HETATM 7002 0 HOH W 411 9.520 66.409 74.372 1. 00 41.83 0
HETATM 7003 0 HOH W 412 9.228 22.219 75.839 1. 00 38.81 0
HETATM 7004 0 HOH W 413 3.220 13.874 44.078 1. 00 38.87 0
HETATM 7005 0 HOH W 414 24.290 47.091 65.771 1. 00 38.64 0
HETATM 7006 0 HOH W 415 14.540 -12.158 34.336 1. 00 41. 28 0
HETATM 7007 0 HOH W 416 20.699 9.284 34.976 1. 00 43.40 0
HETATM 7008 0 HOH W 417 18.531 4.118 38.056 1. 00 38.46 0
HETATM 7009 0 HOH W 418 4.243 10.371 47.187 1. 00 40.34 0
HETATM 7010 0 HOH W 419 21.365 48.021 88.845 1. 00 36.08 0
HETATM 7011 0 HOH W 420 2.120 6.567 11.345 1. 00 39.43 0
HETATM 7012 0 HOH W 421 4.121 -1.627 41.604 1. 00 44.51 0
HETATM 7013 0 HOH W 422 -1.982 -5.930 25.721 1. 00 42.50 0
HETATM 7014 0 HOH W 423 29.980 16.186 72.428 1. 00 42.84 0
HETATM 7015 0 HOH W 424 26.471 44.539 85.308 1. 00 35.86 0
HETATM 7016 0 HOH W 425 29.736 55.454 63.808 1. 00 35.98 0
HETATM 7017 0 HOH W 426 -3.854 -12.982 52.442 1. 00 32.21 0
HETATM 7018 0 HOH W 427 16.337 15.332 29.778 1. 00 30.82 0
HETATM 7019 0 HOH W 428 34.217 79.494 73.465 1. 00 41. 23 0
HETATM 7020 0 HOH W 429 -8.486 34.841 48.712 1. 00 35.61 0
HETATM 7021 0 HOH W 430 31.123 0.450 31.099 1. 00 34.34 0
HETATM 7022 0 HOH W 431 28.420 70.377 63.758 1. 00 39.06 0
HETATM 7023 0 HOH W 432 8.739 50.069 54.879 1. 00 37.13 0
HETATM 7024 0 HOH W 433 -16.957 11.248 42.530 1. 00 39.11 0
HETATM 7025 0 HOH W 434 -9.691 7.528 25.669 1. 00 41. 29 0
HETATM 7026 0 HOH W 435 11.302 15.171 17.817 1. 00 38.42 0
HETATM 7027 0 HOH W 436 30.325 36.712 83.716 1. 00 37.17 0
HETATM 7028 0 HOH W 437 36.515 57.941 97.882 1. 00 54.83 0
HETATM 7029 0 HOH W 438 18.789 0.748 37.595 1. 00 35.52 0
HETATM 7030 0 HOH W 439 -14.473 17.975 28.902 1. 00 42.24 0
HETATM 7031 0 HOH W 440 16.195 49.103 62.527 1. 00 37.77 0
HETATM 7032 0 HOH W 441 3.099 8.396 39.325 1. 00 36.31 0
HETATM 7033 0 HOH W 442 11.958 27.035 38.574 1. 00 37.97 0
HETATM 7034 0 HOH W 443 21.596 9.456 27.916 1. 00 34.27 0
HETATM 7035 0 HOH W 444 -20.077 25.784 37.118 1. 00 61.70 0
HETATM 7036 0 HOH W 445 -8.270 15.369 14.422 1. 00 52.53 0
HETATM 7037 0 HOH W 446 -8.714 -2.727 51.016 1. 00 43.11 0
HETATM 7038 0 HOH W 447 31.724 50.940 100.166 1. 00 33.80 0
HETATM 7039 0 HOH W 448 12.667 43.954 69.045 1. 00 36.36 0

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Figure IA-129

Atom Type Residue # X Y Z Oee B Type

HETATM 7040 0 HOH W 449 8.777 33.412 73.093 1. 00 37.82 0
HETATM 7041 0 HOH W 450 12.240 23.385 86.265 1. 00 44.12 0
HETATM 7042 0 HOH W 451 34.535 46.587 100.775 1. 00 40.34 0
HETATM 7043 0 HOH W 452 -2.455 5.314 14.206 1. 00 36.79 0
HETATM 7044 0 HOH W 453 21. 254 -2.798 41.834 1. 00 38.22 0
HETATM 7045 0 HOH W 454 7.109 -2.866 59.007 1. 00 44.04 0
HETATM 7046 0 HOH W 455 1.782 15.615 45.842 1. 00 35.71 0
HETATM 7047 0 HOH W 456 10.197 12.089 54.365 1. 00 46.11 0
HETATM 7048 0 HOH W 457 -10.551 -11.176 53.475 1. 00 39.43 0
HETATM 7049 0 HOH W 458 11.308 65.669 86.387 1. 00 45.05 0
HETATM 7050 0 HOH W 459 9.507 46.862 68.835 1. 00 36.36 0
HETATM 7051 0 HOH W 460 17.555 -12.663 30.935 1. 00 38.82 0
HETATM 7052 0 HOH W 461 22.434 73.960 69.541 1. 00 43.63 0
HETATM 7053 0 HOH W 462 -14.186 5.604 23.480 1. 00 53.78 0
HETATM 7054 0 HOH W 463 41.597 66.978 79.117 1. 00 40.08 0
HETATM 7055 0 HOH W 464 7.691 -16.916 38.383 1. 00 33.79 0
HETATM 7056 0 HOH W 465 3.533 -5.866 24.083 1. 00 37.35 0
HETATM 7057 0 HOH W 466 22.809 34.628 77.967 1. 00 37.15 0
HETATM 7058 0 HOH W 467 8.057 50.354 76.183 1. 00 41.84 0
HETATM 7059 0 HOH W 468 26.184 11.791 70.941 1. 00 38.32 0
HETATM 7060 0 HOH W 469 18.667 -0.015 40.228 1. 00 35.16 0
HETATM 7061 0 HOH W 470 -0.545 18.518 55.160 1. 00 48.28 0
HETATM 7062 0 HOH W 471 14.503 60.426 101.875 1. 00 41.58 0
HETATM 7063 0 HOH W 472 29.241 66.571 93.001 1. 00 44.89 0
HETATM 7064 0 HOH W 473 15.803 -9.581 54.537 1. 00 40.32 0
HETATM 7065 0 HOH W 474 -11.008 1.702 43.948 1. 00 42.08 0
HETATM 7066 0 HOH W 475 -8.957 5.771 23.888 1. 00 37.69 0
HETATM 7067 0 HOH W 476 2.191 48.244 94.892 1. 00 47.45 0
HETATM 7068 0 HOH W 477 31.845 66.805 91.098 1. 00 44.70 0
HETATM 7069 0 HOH W 478 -5.959 8.767 19.783 1. 00 30.73 0
HETATM 7070 0 HOH W 479 -8.999 38.435 49.442 1. 00 41. 35 0
HETATM 7071 0 HOH W 480 -4.836 -6.867 55.601 1. 00 38.15 0
HETATM 7072 0 HOH W 481 20.305 14.344 30.670 1. 00 50.13 0
HETATM 7073 0 HOH W 482 13.221 -4.842 57.214 1. 00 40.87 0
HETATM 7074 0 HOH W 483 13 .494 41.442 103.596 1. 00 50.82 0
HETATM 7075 0 HOH W 484 18.043 -15.056 40.202 1. 00 37.77 0
HETATM 7076 0 HOH W 485 23.006 2.278 36.431 1. 00 43.37 0
HETATM 7077 0 HOH W 486 28.991 19.395 90.568 1. 00 39.15 0
HETATM 7078 0 HOH W 487 24.684 46.134 74.902 1. 00 37.38 0
HETATM 7079 0 HOH W 488 -12.225 25.181 33.195 1. 00 40.01 0
HETATM 7080 0 HOH W 489 14.740 2.421 56.576 1. 00 49.56 0
HETATM 7081 0 HOH W 490 11.409 37.414 72.829 1. 00 38.81 0
END

4014200v.l

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