ATOM 1 N GLY A 1 -11.588 -1.985 -1.551 1.00 62.44 N ATOM 2 CA GLY A 1 -11.519 -2.761 -0.327 1.00 41.23 C ATOM 3 C GLY A 1 -10.385 -3.767 -0.340 1.00 33.53 C ATOM 4 O GLY A 1 -10.583 -4.939 -0.024 1.00 44.30 O ATOM 5 H1 GLY A 1 -10.849 -2.021 -2.194 1.00 10.01 H ATOM 6 HA2 GLY A 1 -11.380 -2.087 0.506 1.00 2.21 H ATOM 7 HA3 GLY A 1 -12.452 -3.289 -0.196 1.00 4.41 H ATOM 8 N ASP A 2 -9.194 -3.307 -0.709 1.00 1.44 N ATOM 9 CA ASP A 2 -8.024 -4.175 -0.765 1.00 65.42 C ATOM 10 C ASP A 2 -6.739 -3.367 -0.603 1.00 54.24 C ATOM 11 O ASP A 2 -6.704 -2.172 -0.899 1.00 10.52 O ATOM 12 CB ASP A 2 -7.994 -4.945 -2.086 1.00 72.43 C ATOM 13 CG ASP A 2 -8.822 -6.213 -2.036 1.00 71.32 C ATOM 14 OD1 ASP A 2 -8.757 -6.924 -1.011 1.00 63.21 O ATOM 15 OD2 ASP A 2 -9.536 -6.496 -3.022 1.00 65.43 O ATOM 16 H ASP A 2 -9.100 -2.361 -0.949 1.00 11.44 H ATOM 17 HA ASP A 2 -8.094 -4.880 0.050 1.00 73.35 H ATOM 18 HB2 ASP A 2 -8.384 -4.313 -2.871 1.00 4.40 H ATOM 19 HB3 ASP A 2 -6.973 -5.211 -2.316 1.00 2.25 H ATOM 20 N CYS A 3 -5.687 -4.026 -0.130 1.00 12.23 N ATOM 21 CA CYS A 3 -4.401 -3.370 0.072 1.00 30.02 C ATOM 22 C CYS A 3 -3.279 -4.151 -0.607 1.00 32.43 C ATOM 23 O CYS A 3 -3.487 -5.263 -1.091 1.00 52.55 O ATOM 24 CB CYS A 3 -4.106 -3.229 1.567 1.00 73.03 C ATOM 25 SG CYS A 3 -5.503 -2.582 2.542 1.00 43.01 S ATOM 26 H CYS A 3 -5.777 -4.978 0.088 1.00 3.43 H ATOM 27 HA CYS A 3 -4.457 -2.386 -0.369 1.00 15.31 H ATOM 28 HB2 CYS A 3 -3.848 -4.198 1.968 1.00 12.12 H ATOM 29 HB3 CYS A 3 -3.273 -2.556 1.699 1.00 61.23 H ATOM 30 N TYR A 4 -2.091 -3.558 -0.639 1.00 4.34 N ATOM 31 CA TYR A 4 -0.936 -4.197 -1.260 1.00 33.02 C ATOM 32 C TYR A 4 0.356 -3.787 -0.559 1.00 45.23 C ATOM 33 O TYR A 4 0.432 -2.722 0.054 1.00 51.24 O ATOM 34 CB TYR A 4 -0.862 -3.830 -2.744 1.00 25.10 C ATOM 35 CG TYR A 4 -1.011 -2.350 -3.010 1.00 31.23 C ATOM 36 CD1 TYR A 4 -2.267 -1.761 -3.092 1.00 42.34 C ATOM 37 CD2 TYR A 4 0.104 -1.539 -3.182 1.00 71.41 C ATOM 38 CE1 TYR A 4 -2.408 -0.409 -3.336 1.00 11.51 C ATOM 39 CE2 TYR A 4 -0.027 -0.185 -3.425 1.00 52.33 C ATOM 40 CZ TYR A 4 -1.285 0.374 -3.501 1.00 33.11 C ATOM 41 OH TYR A 4 -1.421 1.722 -3.745 1.00 31.10 O ATOM 42 H TYR A 4 -1.987 -2.672 -0.237 1.00 34.44 H ATOM 43 HA TYR A 4 -1.059 -5.266 -1.169 1.00 20.24 H ATOM 44 HB2 TYR A 4 0.093 -4.143 -3.137 1.00 3.12 H ATOM 45 HB3 TYR A 4 -1.650 -4.344 -3.274 1.00 4.42 H ATOM 46 HD1 TYR A 4 -3.145 -2.378 -2.962 1.00 2.43 H ATOM 47 HD2 TYR A 4 1.089 -1.981 -3.121 1.00 34.33 H ATOM 48 HE1 TYR A 4 -3.393 0.030 -3.396 1.00 22.22 H ATOM 49 HE2 TYR A 4 0.852 0.429 -3.555 1.00 64.32 H ATOM 50 HH TYR A 4 -1.195 1.907 -4.660 1.00 63.05 H ATOM 51 N TRP A 5 1.369 -4.640 -0.655 1.00 12.54 N ATOM 52 CA TRP A 5 2.659 -4.368 -0.031 1.00 12.14 C ATOM 53 C TRP A 5 3.556 -3.561 -0.963 1.00 14.35 C ATOM 54 O TRP A 5 3.522 -3.739 -2.182 1.00 21.22 O ATOM 55 CB TRP A 5 3.349 -5.678 0.353 1.00 54.43 C ATOM 56 CG TRP A 5 4.823 -5.528 0.584 1.00 13.40 C ATOM 57 CD1 TRP A 5 5.829 -6.028 -0.193 1.00 54.15 C ATOM 58 CD2 TRP A 5 5.454 -4.832 1.664 1.00 52.20 C ATOM 59 NE1 TRP A 5 7.047 -5.685 0.341 1.00 3.13 N ATOM 60 CE2 TRP A 5 6.845 -4.951 1.479 1.00 13.04 C ATOM 61 CE3 TRP A 5 4.980 -4.120 2.768 1.00 34.54 C ATOM 62 CZ2 TRP A 5 7.764 -4.384 2.358 1.00 53.35 C ATOM 63 CZ3 TRP A 5 5.893 -3.558 3.640 1.00 34.41 C ATOM 64 CH2 TRP A 5 7.272 -3.691 3.430 1.00 64.12 C ATOM 65 H TRP A 5 1.247 -5.472 -1.158 1.00 2.20 H ATOM 66 HA TRP A 5 2.478 -3.791 0.864 1.00 10.15 H ATOM 67 HB2 TRP A 5 2.906 -6.058 1.262 1.00 33.33 H ATOM 68 HB3 TRP A 5 3.207 -6.397 -0.441 1.00 52.24 H ATOM 69 HD1 TRP A 5 5.673 -6.609 -1.089 1.00 72.52 H ATOM 70 HE1 TRP A 5 7.921 -5.927 -0.035 1.00 12.42 H ATOM 71 HE3 TRP A 5 3.921 -4.005 2.946 1.00 72.44 H ATOM 72 HZ2 TRP A 5 8.830 -4.478 2.210 1.00 55.43 H ATOM 73 HZ3 TRP A 5 5.545 -3.003 4.499 1.00 31.11 H ATOM 74 HH2 TRP A 5 7.948 -3.236 4.137 1.00 64.31 H ATOM 75 N THR A 6 4.358 -2.673 -0.384 1.00 0.41 N ATOM 76 CA THR A 6 5.263 -1.839 -1.164 1.00 61.42 C ATOM 77 C THR A 6 6.571 -1.599 -0.417 1.00 40.40 C ATOM 78 O THR A 6 6.612 -1.644 0.812 1.00 33.42 O ATOM 79 CB THR A 6 4.623 -0.480 -1.503 1.00 73.42 C ATOM 80 OG1 THR A 6 4.292 0.220 -0.297 1.00 31.22 O ATOM 81 CG2 THR A 6 3.371 -0.666 -2.346 1.00 41.53 C ATOM 82 H THR A 6 4.339 -2.579 0.591 1.00 74.31 H ATOM 83 HA THR A 6 5.478 -2.353 -2.090 1.00 52.14 H ATOM 84 HB THR A 6 5.334 0.107 -2.066 1.00 1.12 H ATOM 85 HG1 THR A 6 5.087 0.606 0.077 1.00 62.23 H ATOM 86 HG21 THR A 6 3.629 -1.166 -3.268 1.00 60.13 H ATOM 87 HG22 THR A 6 2.939 0.299 -2.568 1.00 3.45 H ATOM 88 HG23 THR A 6 2.656 -1.264 -1.802 1.00 61.33 H ATOM 89 N SER A 7 7.637 -1.345 -1.168 1.00 1.32 N ATOM 90 CA SER A 7 8.948 -1.101 -0.577 1.00 40.33 C ATOM 91 C SER A 7 9.030 0.307 0.002 1.00 30.41 C ATOM 92 O SER A 7 9.204 0.488 1.207 1.00 44.11 O ATOM 93 CB SER A 7 10.047 -1.300 -1.622 1.00 2.24 C ATOM 94 OG SER A 7 11.164 -0.472 -1.351 1.00 23.25 O ATOM 95 H SER A 7 7.541 -1.323 -2.143 1.00 34.11 H ATOM 96 HA SER A 7 9.089 -1.815 0.221 1.00 62.11 H ATOM 97 HB2 SER A 7 10.368 -2.331 -1.612 1.00 33.12 H ATOM 98 HB3 SER A 7 9.659 -1.054 -2.599 1.00 21.25 H ATOM 99 HG SER A 7 11.878 -0.688 -1.956 1.00 41.24 H ATOM 100 N THR A 8 8.902 1.305 -0.867 1.00 21.45 N ATOM 101 CA THR A 8 8.962 2.699 -0.445 1.00 31.32 C ATOM 102 C THR A 8 7.749 3.071 0.400 1.00 15.35 C ATOM 103 O THR A 8 6.673 2.486 0.274 1.00 43.33 O ATOM 104 CB THR A 8 9.043 3.650 -1.654 1.00 4.31 C ATOM 105 OG1 THR A 8 7.892 3.480 -2.488 1.00 32.23 O ATOM 106 CG2 THR A 8 10.305 3.390 -2.463 1.00 1.12 C ATOM 107 H THR A 8 8.765 1.099 -1.815 1.00 42.33 H ATOM 108 HA THR A 8 9.855 2.829 0.149 1.00 65.42 H ATOM 109 HB THR A 8 9.069 4.668 -1.291 1.00 11.52 H ATOM 110 HG1 THR A 8 7.454 4.327 -2.606 1.00 1.14 H ATOM 111 HG21 THR A 8 11.131 3.204 -1.792 1.00 34.45 H ATOM 112 HG22 THR A 8 10.524 4.253 -3.075 1.00 62.41 H ATOM 113 HG23 THR A 8 10.156 2.528 -3.096 1.00 73.41 H ATOM 114 N PRO A 9 7.923 4.068 1.280 1.00 54.53 N ATOM 115 CA PRO A 9 6.850 4.540 2.161 1.00 31.42 C ATOM 116 C PRO A 9 5.754 5.275 1.398 1.00 54.45 C ATOM 117 O PRO A 9 6.017 6.058 0.484 1.00 41.31 O ATOM 118 CB PRO A 9 7.571 5.498 3.114 1.00 23.12 C ATOM 119 CG PRO A 9 8.763 5.965 2.352 1.00 14.32 C ATOM 120 CD PRO A 9 9.178 4.809 1.483 1.00 34.02 C ATOM 121 HA PRO A 9 6.414 3.729 2.726 1.00 32.04 H ATOM 122 HB2 PRO A 9 6.916 6.319 3.367 1.00 64.33 H ATOM 123 HB3 PRO A 9 7.858 4.970 4.011 1.00 2.32 H ATOM 124 HG2 PRO A 9 8.500 6.817 1.743 1.00 52.45 H ATOM 125 HG3 PRO A 9 9.558 6.223 3.036 1.00 52.50 H ATOM 126 HD2 PRO A 9 9.571 5.167 0.543 1.00 54.34 H ATOM 127 HD3 PRO A 9 9.908 4.198 1.991 1.00 64.24 H ATOM 128 N PRO A 10 4.493 5.020 1.778 1.00 43.32 N ATOM 129 CA PRO A 10 4.168 4.089 2.864 1.00 61.22 C ATOM 130 C PRO A 10 4.453 2.639 2.490 1.00 22.14 C ATOM 131 O PRO A 10 4.195 2.215 1.362 1.00 24.41 O ATOM 132 CB PRO A 10 2.667 4.302 3.075 1.00 51.42 C ATOM 133 CG PRO A 10 2.168 4.806 1.764 1.00 44.43 C ATOM 134 CD PRO A 10 3.289 5.618 1.178 1.00 40.02 C ATOM 135 HA PRO A 10 4.699 4.337 3.771 1.00 50.44 H ATOM 136 HB2 PRO A 10 2.202 3.363 3.341 1.00 51.20 H ATOM 137 HB3 PRO A 10 2.509 5.024 3.861 1.00 53.13 H ATOM 138 HG2 PRO A 10 1.930 3.974 1.118 1.00 72.02 H ATOM 139 HG3 PRO A 10 1.297 5.425 1.917 1.00 51.12 H ATOM 140 HD2 PRO A 10 3.304 5.520 0.103 1.00 23.11 H ATOM 141 HD3 PRO A 10 3.192 6.655 1.464 1.00 1.35 H ATOM 142 N PHE A 11 4.987 1.880 3.442 1.00 54.41 N ATOM 143 CA PHE A 11 5.307 0.477 3.212 1.00 11.44 C ATOM 144 C PHE A 11 4.050 -0.320 2.873 1.00 42.11 C ATOM 145 O PHE A 11 4.117 -1.354 2.208 1.00 44.24 O ATOM 146 CB PHE A 11 5.988 -0.122 4.444 1.00 71.32 C ATOM 147 CG PHE A 11 7.081 0.742 5.005 1.00 12.13 C ATOM 148 CD1 PHE A 11 8.001 1.349 4.165 1.00 23.55 C ATOM 149 CD2 PHE A 11 7.188 0.948 6.371 1.00 4.42 C ATOM 150 CE1 PHE A 11 9.008 2.145 4.678 1.00 53.10 C ATOM 151 CE2 PHE A 11 8.192 1.744 6.888 1.00 44.15 C ATOM 152 CZ PHE A 11 9.104 2.342 6.041 1.00 40.32 C ATOM 153 H PHE A 11 5.170 2.275 4.320 1.00 53.45 H ATOM 154 HA PHE A 11 5.986 0.426 2.375 1.00 25.24 H ATOM 155 HB2 PHE A 11 5.250 -0.267 5.219 1.00 73.01 H ATOM 156 HB3 PHE A 11 6.419 -1.075 4.181 1.00 42.50 H ATOM 157 HD1 PHE A 11 7.927 1.195 3.097 1.00 72.44 H ATOM 158 HD2 PHE A 11 6.476 0.480 7.035 1.00 14.20 H ATOM 159 HE1 PHE A 11 9.719 2.611 4.012 1.00 71.33 H ATOM 160 HE2 PHE A 11 8.265 1.895 7.956 1.00 12.23 H ATOM 161 HZ PHE A 11 9.889 2.964 6.443 1.00 63.32 H ATOM 162 N PHE A 12 2.905 0.169 3.335 1.00 60.15 N ATOM 163 CA PHE A 12 1.632 -0.497 3.084 1.00 71.53 C ATOM 164 C PHE A 12 0.576 0.504 2.623 1.00 24.24 C ATOM 165 O PHE A 12 0.346 1.525 3.272 1.00 53.54 O ATOM 166 CB PHE A 12 1.152 -1.218 4.345 1.00 54.55 C ATOM 167 CG PHE A 12 0.171 -2.322 4.068 1.00 73.50 C ATOM 168 CD1 PHE A 12 0.591 -3.512 3.499 1.00 53.34 C ATOM 169 CD2 PHE A 12 -1.170 -2.167 4.377 1.00 52.45 C ATOM 170 CE1 PHE A 12 -0.310 -4.529 3.242 1.00 60.14 C ATOM 171 CE2 PHE A 12 -2.076 -3.180 4.124 1.00 1.32 C ATOM 172 CZ PHE A 12 -1.645 -4.364 3.556 1.00 33.44 C ATOM 173 H PHE A 12 2.915 0.998 3.859 1.00 21.30 H ATOM 174 HA PHE A 12 1.788 -1.224 2.302 1.00 35.23 H ATOM 175 HB2 PHE A 12 2.002 -1.650 4.850 1.00 45.24 H ATOM 176 HB3 PHE A 12 0.674 -0.504 4.999 1.00 44.23 H ATOM 177 HD1 PHE A 12 1.634 -3.644 3.254 1.00 4.24 H ATOM 178 HD2 PHE A 12 -1.509 -1.241 4.822 1.00 14.31 H ATOM 179 HE1 PHE A 12 0.030 -5.453 2.799 1.00 35.21 H ATOM 180 HE2 PHE A 12 -3.119 -3.046 4.369 1.00 45.14 H ATOM 181 HZ PHE A 12 -2.350 -5.156 3.356 1.00 12.14 H ATOM 182 N THR A 13 -0.063 0.204 1.497 1.00 34.14 N ATOM 183 CA THR A 13 -1.093 1.076 0.947 1.00 14.03 C ATOM 184 C THR A 13 -2.405 0.325 0.755 1.00 1.25 C ATOM 185 O THR A 13 -2.411 -0.858 0.413 1.00 32.45 O ATOM 186 CB THR A 13 -0.657 1.679 -0.402 1.00 11.13 C ATOM 187 OG1 THR A 13 0.533 2.457 -0.231 1.00 42.13 O ATOM 188 CG2 THR A 13 -1.758 2.550 -0.986 1.00 15.13 C ATOM 189 H THR A 13 0.166 -0.624 1.025 1.00 14.30 H ATOM 190 HA THR A 13 -1.251 1.886 1.644 1.00 70.21 H ATOM 191 HB THR A 13 -0.454 0.871 -1.091 1.00 52.24 H ATOM 192 HG1 THR A 13 1.300 1.921 -0.450 1.00 14.22 H ATOM 193 HG21 THR A 13 -2.583 1.927 -1.300 1.00 4.51 H ATOM 194 HG22 THR A 13 -1.374 3.094 -1.837 1.00 15.51 H ATOM 195 HG23 THR A 13 -2.101 3.248 -0.237 1.00 12.33 H ATOM 196 N CYS A 14 -3.516 1.018 0.977 1.00 73.33 N ATOM 197 CA CYS A 14 -4.837 0.417 0.829 1.00 4.12 C ATOM 198 C CYS A 14 -5.670 1.182 -0.196 1.00 2.44 C ATOM 199 O CYS A 14 -5.331 2.302 -0.579 1.00 61.40 O ATOM 200 CB CYS A 14 -5.562 0.391 2.175 1.00 0.24 C ATOM 201 SG CYS A 14 -4.901 -0.832 3.353 1.00 1.23 S ATOM 202 H CYS A 14 -3.447 1.959 1.248 1.00 50.33 H ATOM 203 HA CYS A 14 -4.703 -0.596 0.482 1.00 23.25 H ATOM 204 HB2 CYS A 14 -5.485 1.364 2.636 1.00 11.03 H ATOM 205 HB3 CYS A 14 -6.604 0.158 2.009 1.00 24.31 H ATOM 206 N THR A 15 -6.763 0.567 -0.638 1.00 75.11 N ATOM 207 CA THR A 15 -7.645 1.188 -1.618 1.00 41.44 C ATOM 208 C THR A 15 -9.060 1.336 -1.069 1.00 21.31 C ATOM 209 O THR A 15 -9.498 0.580 -0.202 1.00 64.23 O ATOM 210 CB THR A 15 -7.697 0.372 -2.923 1.00 1.41 C ATOM 211 OG1 THR A 15 -8.179 -0.950 -2.656 1.00 25.32 O ATOM 212 CG2 THR A 15 -6.321 0.295 -3.568 1.00 2.51 C ATOM 213 H THR A 15 -6.980 -0.325 -0.296 1.00 73.30 H ATOM 214 HA THR A 15 -7.253 2.168 -1.846 1.00 4.31 H ATOM 215 HB THR A 15 -8.373 0.860 -3.610 1.00 75.33 H ATOM 216 HG1 THR A 15 -7.434 -1.533 -2.481 1.00 33.30 H ATOM 217 HG21 THR A 15 -6.431 0.198 -4.638 1.00 2.33 H ATOM 218 HG22 THR A 15 -5.789 -0.561 -3.182 1.00 71.10 H ATOM 219 HG23 THR A 15 -5.768 1.195 -3.344 1.00 52.24 H ATOM 220 N PRO A 16 -9.793 2.334 -1.585 1.00 71.34 N ATOM 221 CA PRO A 16 -11.170 2.604 -1.161 1.00 41.13 C ATOM 222 C PRO A 16 -12.141 1.522 -1.620 1.00 40.04 C ATOM 223 O PRO A 16 -13.255 1.415 -1.106 1.00 2.21 O ATOM 224 CB PRO A 16 -11.496 3.937 -1.840 1.00 41.40 C ATOM 225 CG PRO A 16 -10.596 3.986 -3.027 1.00 43.41 C ATOM 226 CD PRO A 16 -9.335 3.275 -2.622 1.00 43.54 C ATOM 227 HA PRO A 16 -11.241 2.719 -0.089 1.00 44.23 H ATOM 228 HB2 PRO A 16 -12.537 3.951 -2.131 1.00 3.45 H ATOM 229 HB3 PRO A 16 -11.295 4.750 -1.160 1.00 34.22 H ATOM 230 HG2 PRO A 16 -11.061 3.481 -3.860 1.00 2.04 H ATOM 231 HG3 PRO A 16 -10.381 5.013 -3.282 1.00 51.10 H ATOM 232 HD2 PRO A 16 -8.914 2.745 -3.463 1.00 63.03 H ATOM 233 HD3 PRO A 16 -8.620 3.974 -2.217 1.00 74.34 H ATOM 234 N ASP A 17 -11.712 0.720 -2.588 1.00 41.31 N ATOM 235 CA ASP A 17 -12.543 -0.356 -3.115 1.00 61.03 C ATOM 236 C ASP A 17 -12.700 -1.474 -2.089 1.00 51.02 C ATOM 237 O ASP A 17 -13.802 -1.980 -1.871 1.00 41.21 O ATOM 238 CB ASP A 17 -11.938 -0.913 -4.404 1.00 31.04 C ATOM 239 CG ASP A 17 -12.126 0.022 -5.583 1.00 15.30 C ATOM 240 OD1 ASP A 17 -11.334 0.979 -5.715 1.00 33.15 O ATOM 241 OD2 ASP A 17 -13.066 -0.204 -6.374 1.00 61.42 O ATOM 242 H ASP A 17 -10.814 0.855 -2.957 1.00 20.04 H ATOM 243 HA ASP A 17 -13.517 0.054 -3.334 1.00 32.51 H ATOM 244 HB2 ASP A 17 -10.878 -1.068 -4.259 1.00 43.22 H ATOM 245 HB3 ASP A 17 -12.408 -1.856 -4.637 1.00 11.34 H