REMARK 1 PDBFIXER FROM: bpti.pdb REMARK 1 CREATED WITH OPENMM 8.1.1, 2025-09-19 ATOM 1 N ARG A 1 4.481 11.293 0.204 1.00 0.00 N ATOM 2 CA ARG A 1 5.137 10.135 0.877 1.00 0.00 C ATOM 3 C ARG A 1 5.356 9.056 -0.221 1.00 0.00 C ATOM 4 O ARG A 1 4.487 8.823 -1.054 1.00 0.00 O ATOM 5 CB ARG A 1 4.154 9.632 2.008 1.00 0.00 C ATOM 6 CG ARG A 1 4.819 8.703 2.982 1.00 0.00 C ATOM 7 CD ARG A 1 6.020 9.239 3.802 1.00 0.00 C ATOM 8 NE ARG A 1 5.551 10.357 4.670 1.00 0.00 N ATOM 9 CZ ARG A 1 6.185 10.965 5.621 1.00 0.00 C ATOM 10 NH1 ARG A 1 7.387 10.630 5.911 1.00 0.00 N ATOM 11 NH2 ARG A 1 5.512 11.845 6.297 1.00 0.00 N ATOM 12 HA ARG A 1 6.074 10.533 1.267 1.00 0.00 H ATOM 13 HB2 ARG A 1 3.800 10.536 2.503 1.00 0.00 H ATOM 14 HB3 ARG A 1 3.288 9.097 1.619 1.00 0.00 H ATOM 15 HG2 ARG A 1 4.077 8.489 3.751 1.00 0.00 H ATOM 16 HG3 ARG A 1 5.138 7.850 2.383 1.00 0.00 H ATOM 17 HD2 ARG A 1 6.551 8.496 4.398 1.00 0.00 H ATOM 18 HD3 ARG A 1 6.853 9.562 3.178 1.00 0.00 H ATOM 19 HE ARG A 1 4.567 10.585 4.661 1.00 0.00 H ATOM 20 HH11 ARG A 1 7.769 10.908 6.804 1.00 0.00 H ATOM 21 HH12 ARG A 1 7.864 9.934 5.357 1.00 0.00 H ATOM 22 HH21 ARG A 1 4.549 12.019 6.046 1.00 0.00 H ATOM 23 HH22 ARG A 1 5.917 12.521 6.929 1.00 0.00 H ATOM 24 H ARG A 1 3.475 11.214 0.162 1.00 0.00 H ATOM 25 H2 ARG A 1 4.746 12.104 0.745 1.00 0.00 H ATOM 26 H3 ARG A 1 4.816 11.478 -0.731 1.00 0.00 H ATOM 27 N PRO A 2 6.483 8.417 -0.280 1.00 0.00 N ATOM 28 CA PRO A 2 6.740 7.345 -1.220 1.00 0.00 C ATOM 29 C PRO A 2 5.696 6.227 -1.193 1.00 0.00 C ATOM 30 O PRO A 2 5.267 5.881 -0.115 1.00 0.00 O ATOM 31 CB PRO A 2 8.139 6.854 -0.953 1.00 0.00 C ATOM 32 CG PRO A 2 8.744 8.003 -0.281 1.00 0.00 C ATOM 33 CD PRO A 2 7.675 8.665 0.535 1.00 0.00 C ATOM 34 HA PRO A 2 6.709 7.735 -2.237 1.00 0.00 H ATOM 35 HB2 PRO A 2 8.085 6.029 -0.243 1.00 0.00 H ATOM 36 HB3 PRO A 2 8.553 6.512 -1.902 1.00 0.00 H ATOM 37 HG2 PRO A 2 9.514 7.623 0.391 1.00 0.00 H ATOM 38 HG3 PRO A 2 9.236 8.583 -1.062 1.00 0.00 H ATOM 39 HD2 PRO A 2 7.499 8.214 1.512 1.00 0.00 H ATOM 40 HD3 PRO A 2 7.854 9.740 0.545 1.00 0.00 H ATOM 41 N ASP A 3 5.540 5.671 -2.406 1.00 0.00 N ATOM 42 CA ASP A 3 4.355 4.870 -2.726 1.00 0.00 C ATOM 43 C ASP A 3 4.328 3.566 -1.945 1.00 0.00 C ATOM 44 O ASP A 3 3.258 3.076 -1.661 1.00 0.00 O ATOM 45 CB ASP A 3 4.477 4.534 -4.251 1.00 0.00 C ATOM 46 CG ASP A 3 3.374 3.594 -4.902 1.00 0.00 C ATOM 47 OD1 ASP A 3 2.182 3.935 -4.925 1.00 0.00 O ATOM 48 OD2 ASP A 3 3.772 2.698 -5.716 1.00 0.00 O ATOM 49 H ASP A 3 6.080 6.109 -3.138 1.00 0.00 H ATOM 50 HA ASP A 3 3.447 5.357 -2.373 1.00 0.00 H ATOM 51 HB2 ASP A 3 4.514 5.458 -4.828 1.00 0.00 H ATOM 52 HB3 ASP A 3 5.449 4.065 -4.403 1.00 0.00 H ATOM 53 N PHE A 4 5.503 3.010 -1.562 1.00 0.00 N ATOM 54 CA PHE A 4 5.732 1.868 -0.668 1.00 0.00 C ATOM 55 C PHE A 4 5.581 2.197 0.775 1.00 0.00 C ATOM 56 O PHE A 4 5.259 1.343 1.581 1.00 0.00 O ATOM 57 CB PHE A 4 7.024 1.139 -0.960 1.00 0.00 C ATOM 58 CG PHE A 4 8.248 2.039 -0.997 1.00 0.00 C ATOM 59 CD1 PHE A 4 8.881 2.357 0.193 1.00 0.00 C ATOM 60 CD2 PHE A 4 8.697 2.501 -2.208 1.00 0.00 C ATOM 61 CE1 PHE A 4 10.030 3.230 0.154 1.00 0.00 C ATOM 62 CE2 PHE A 4 9.920 3.265 -2.235 1.00 0.00 C ATOM 63 CZ PHE A 4 10.511 3.709 -1.056 1.00 0.00 C ATOM 64 H PHE A 4 6.284 3.533 -1.931 1.00 0.00 H ATOM 65 HA PHE A 4 4.960 1.129 -0.880 1.00 0.00 H ATOM 66 HB2 PHE A 4 7.205 0.284 -0.309 1.00 0.00 H ATOM 67 HB3 PHE A 4 6.798 0.792 -1.968 1.00 0.00 H ATOM 68 HD1 PHE A 4 8.345 2.171 1.112 1.00 0.00 H ATOM 69 HD2 PHE A 4 8.114 2.361 -3.106 1.00 0.00 H ATOM 70 HE1 PHE A 4 10.504 3.653 1.027 1.00 0.00 H ATOM 71 HE2 PHE A 4 10.343 3.666 -3.144 1.00 0.00 H ATOM 72 HZ PHE A 4 11.358 4.375 -1.122 1.00 0.00 H ATOM 73 N CYS A 5 5.653 3.456 1.170 1.00 0.00 N ATOM 74 CA CYS A 5 5.395 3.903 2.491 1.00 0.00 C ATOM 75 C CYS A 5 3.895 4.221 2.647 1.00 0.00 C ATOM 76 O CYS A 5 3.457 4.281 3.830 1.00 0.00 O ATOM 77 CB CYS A 5 6.278 5.096 2.648 1.00 0.00 C ATOM 78 SG CYS A 5 7.989 4.948 2.335 1.00 0.00 S ATOM 79 H CYS A 5 5.843 4.156 0.467 1.00 0.00 H ATOM 80 HA CYS A 5 5.686 3.121 3.193 1.00 0.00 H ATOM 81 HB2 CYS A 5 5.930 6.055 2.266 1.00 0.00 H ATOM 82 HB3 CYS A 5 6.196 5.233 3.726 1.00 0.00 H ATOM 83 N LEU A 6 3.043 4.407 1.573 1.00 0.00 N ATOM 84 CA LEU A 6 1.634 4.834 1.750 1.00 0.00 C ATOM 85 C LEU A 6 0.674 3.656 1.891 1.00 0.00 C ATOM 86 O LEU A 6 -0.530 3.825 1.989 1.00 0.00 O ATOM 87 CB LEU A 6 1.407 5.795 0.588 1.00 0.00 C ATOM 88 CG LEU A 6 0.016 6.561 0.500 1.00 0.00 C ATOM 89 CD1 LEU A 6 -0.326 7.401 1.727 1.00 0.00 C ATOM 90 CD2 LEU A 6 -0.137 7.376 -0.792 1.00 0.00 C ATOM 91 H LEU A 6 3.514 4.340 0.682 1.00 0.00 H ATOM 92 HA LEU A 6 1.520 5.491 2.612 1.00 0.00 H ATOM 93 HB2 LEU A 6 2.171 6.572 0.614 1.00 0.00 H ATOM 94 HB3 LEU A 6 1.553 5.267 -0.355 1.00 0.00 H ATOM 95 HG LEU A 6 -0.749 5.786 0.442 1.00 0.00 H ATOM 96 HD11 LEU A 6 0.528 8.029 1.982 1.00 0.00 H ATOM 97 HD12 LEU A 6 -1.240 7.991 1.671 1.00 0.00 H ATOM 98 HD13 LEU A 6 -0.474 6.704 2.553 1.00 0.00 H ATOM 99 HD21 LEU A 6 -1.194 7.619 -0.900 1.00 0.00 H ATOM 100 HD22 LEU A 6 0.445 8.278 -0.598 1.00 0.00 H ATOM 101 HD23 LEU A 6 0.197 6.715 -1.591 1.00 0.00 H ATOM 102 N GLU A 7 1.168 2.445 1.926 1.00 0.00 N ATOM 103 CA GLU A 7 0.330 1.215 1.642 1.00 0.00 C ATOM 104 C GLU A 7 0.014 0.441 2.945 1.00 0.00 C ATOM 105 O GLU A 7 0.707 0.600 3.925 1.00 0.00 O ATOM 106 CB GLU A 7 1.018 0.404 0.587 1.00 0.00 C ATOM 107 CG GLU A 7 2.236 -0.293 1.147 1.00 0.00 C ATOM 108 CD GLU A 7 3.039 -1.118 0.146 1.00 0.00 C ATOM 109 OE1 GLU A 7 3.059 -0.802 -1.058 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.537 -2.227 0.572 1.00 0.00 O ATOM 111 H GLU A 7 2.176 2.482 1.972 1.00 0.00 H ATOM 112 HA GLU A 7 -0.665 1.402 1.238 1.00 0.00 H ATOM 113 HB2 GLU A 7 0.365 -0.293 0.060 1.00 0.00 H ATOM 114 HB3 GLU A 7 1.397 1.107 -0.154 1.00 0.00 H ATOM 115 HG2 GLU A 7 2.837 0.457 1.662 1.00 0.00 H ATOM 116 HG3 GLU A 7 1.907 -0.923 1.974 1.00 0.00 H ATOM 117 N PRO A 8 -1.103 -0.415 3.020 1.00 0.00 N ATOM 118 CA PRO A 8 -1.381 -1.343 4.103 1.00 0.00 C ATOM 119 C PRO A 8 -0.271 -2.418 4.275 1.00 0.00 C ATOM 120 O PRO A 8 0.415 -2.841 3.323 1.00 0.00 O ATOM 121 CB PRO A 8 -2.700 -1.908 3.748 1.00 0.00 C ATOM 122 CG PRO A 8 -2.888 -1.727 2.224 1.00 0.00 C ATOM 123 CD PRO A 8 -2.022 -0.525 1.858 1.00 0.00 C ATOM 124 HA PRO A 8 -1.505 -0.796 5.038 1.00 0.00 H ATOM 125 HB2 PRO A 8 -2.657 -2.963 4.017 1.00 0.00 H ATOM 126 HB3 PRO A 8 -3.448 -1.313 4.271 1.00 0.00 H ATOM 127 HG2 PRO A 8 -2.508 -2.611 1.712 1.00 0.00 H ATOM 128 HG3 PRO A 8 -3.958 -1.528 2.153 1.00 0.00 H ATOM 129 HD2 PRO A 8 -1.521 -0.824 0.937 1.00 0.00 H ATOM 130 HD3 PRO A 8 -2.534 0.437 1.879 1.00 0.00 H ATOM 131 N PRO A 9 -0.040 -2.911 5.500 1.00 0.00 N ATOM 132 CA PRO A 9 0.785 -4.139 5.864 1.00 0.00 C ATOM 133 C PRO A 9 0.103 -5.504 5.481 1.00 0.00 C ATOM 134 O PRO A 9 -0.988 -5.534 5.004 1.00 0.00 O ATOM 135 CB PRO A 9 1.124 -3.990 7.336 1.00 0.00 C ATOM 136 CG PRO A 9 -0.128 -3.245 7.915 1.00 0.00 C ATOM 137 CD PRO A 9 -0.450 -2.295 6.736 1.00 0.00 C ATOM 138 HA PRO A 9 1.766 -4.173 5.391 1.00 0.00 H ATOM 139 HB2 PRO A 9 1.311 -5.011 7.668 1.00 0.00 H ATOM 140 HB3 PRO A 9 2.012 -3.394 7.546 1.00 0.00 H ATOM 141 HG2 PRO A 9 -1.024 -3.849 8.058 1.00 0.00 H ATOM 142 HG3 PRO A 9 0.057 -2.585 8.763 1.00 0.00 H ATOM 143 HD2 PRO A 9 -1.519 -2.082 6.697 1.00 0.00 H ATOM 144 HD3 PRO A 9 0.121 -1.374 6.854 1.00 0.00 H ATOM 145 N TYR A 10 0.784 -6.614 5.626 1.00 0.00 N ATOM 146 CA TYR A 10 0.338 -7.965 5.239 1.00 0.00 C ATOM 147 C TYR A 10 1.070 -9.115 5.979 1.00 0.00 C ATOM 148 O TYR A 10 2.288 -9.343 5.819 1.00 0.00 O ATOM 149 CB TYR A 10 0.711 -8.120 3.779 1.00 0.00 C ATOM 150 CG TYR A 10 0.399 -9.379 2.974 1.00 0.00 C ATOM 151 CD1 TYR A 10 -0.906 -9.617 2.468 1.00 0.00 C ATOM 152 CD2 TYR A 10 1.441 -10.305 2.744 1.00 0.00 C ATOM 153 CE1 TYR A 10 -1.171 -10.795 1.817 1.00 0.00 C ATOM 154 CE2 TYR A 10 1.171 -11.534 2.135 1.00 0.00 C ATOM 155 CZ TYR A 10 -0.144 -11.787 1.672 1.00 0.00 C ATOM 156 OH TYR A 10 -0.509 -12.988 1.248 1.00 0.00 O ATOM 157 H TYR A 10 1.712 -6.457 5.993 1.00 0.00 H ATOM 158 HA TYR A 10 -0.731 -8.039 5.436 1.00 0.00 H ATOM 159 HB2 TYR A 10 0.295 -7.247 3.276 1.00 0.00 H ATOM 160 HB3 TYR A 10 1.796 -8.015 3.750 1.00 0.00 H ATOM 161 HD1 TYR A 10 -1.717 -8.917 2.600 1.00 0.00 H ATOM 162 HD2 TYR A 10 2.401 -10.213 3.231 1.00 0.00 H ATOM 163 HE1 TYR A 10 -2.192 -10.947 1.499 1.00 0.00 H ATOM 164 HE2 TYR A 10 1.867 -12.359 2.086 1.00 0.00 H ATOM 165 HH TYR A 10 0.246 -13.495 0.940 1.00 0.00 H ATOM 166 N THR A 11 0.448 -9.759 6.976 1.00 0.00 N ATOM 167 CA THR A 11 1.073 -10.832 7.801 1.00 0.00 C ATOM 168 C THR A 11 1.509 -12.075 6.926 1.00 0.00 C ATOM 169 O THR A 11 2.482 -12.721 7.340 1.00 0.00 O ATOM 170 CB THR A 11 0.108 -11.338 8.905 1.00 0.00 C ATOM 171 OG1 THR A 11 -0.132 -10.234 9.629 1.00 0.00 O ATOM 172 CG2 THR A 11 0.644 -12.429 9.866 1.00 0.00 C ATOM 173 H THR A 11 -0.517 -9.559 7.195 1.00 0.00 H ATOM 174 HA THR A 11 1.906 -10.449 8.391 1.00 0.00 H ATOM 175 HB THR A 11 -0.838 -11.730 8.532 1.00 0.00 H ATOM 176 HG1 THR A 11 0.614 -10.069 10.210 1.00 0.00 H ATOM 177 HG21 THR A 11 -0.268 -12.872 10.265 1.00 0.00 H ATOM 178 HG22 THR A 11 1.179 -13.130 9.225 1.00 0.00 H ATOM 179 HG23 THR A 11 1.335 -12.016 10.601 1.00 0.00 H ATOM 180 N GLY A 12 0.896 -12.411 5.764 1.00 0.00 N ATOM 181 CA GLY A 12 1.165 -13.584 4.948 1.00 0.00 C ATOM 182 C GLY A 12 0.753 -15.016 5.427 1.00 0.00 C ATOM 183 O GLY A 12 0.506 -15.143 6.609 1.00 0.00 O ATOM 184 H GLY A 12 0.073 -11.936 5.422 1.00 0.00 H ATOM 185 HA2 GLY A 12 0.646 -13.419 4.004 1.00 0.00 H ATOM 186 HA3 GLY A 12 2.228 -13.572 4.710 1.00 0.00 H ATOM 187 N PRO A 13 0.761 -16.086 4.597 1.00 0.00 N ATOM 188 CA PRO A 13 0.230 -17.400 5.025 1.00 0.00 C ATOM 189 C PRO A 13 0.929 -18.198 6.082 1.00 0.00 C ATOM 190 O PRO A 13 0.387 -19.195 6.636 1.00 0.00 O ATOM 191 CB PRO A 13 0.121 -18.179 3.750 1.00 0.00 C ATOM 192 CG PRO A 13 -0.021 -17.112 2.638 1.00 0.00 C ATOM 193 CD PRO A 13 0.964 -15.994 3.146 1.00 0.00 C ATOM 194 HA PRO A 13 -0.781 -17.292 5.417 1.00 0.00 H ATOM 195 HB2 PRO A 13 0.962 -18.839 3.538 1.00 0.00 H ATOM 196 HB3 PRO A 13 -0.776 -18.798 3.784 1.00 0.00 H ATOM 197 HG2 PRO A 13 0.393 -17.595 1.753 1.00 0.00 H ATOM 198 HG3 PRO A 13 -1.042 -16.752 2.510 1.00 0.00 H ATOM 199 HD2 PRO A 13 2.003 -16.178 2.874 1.00 0.00 H ATOM 200 HD3 PRO A 13 0.539 -15.063 2.770 1.00 0.00 H ATOM 201 N CYS A 14 2.190 -17.769 6.354 1.00 0.00 N ATOM 202 CA CYS A 14 3.079 -18.621 7.107 1.00 0.00 C ATOM 203 C CYS A 14 2.758 -18.607 8.657 1.00 0.00 C ATOM 204 O CYS A 14 2.081 -17.691 9.077 1.00 0.00 O ATOM 205 CB CYS A 14 4.547 -18.426 6.685 1.00 0.00 C ATOM 206 SG CYS A 14 4.794 -18.857 4.907 1.00 0.00 S ATOM 207 H CYS A 14 2.596 -16.879 6.102 1.00 0.00 H ATOM 208 HA CYS A 14 2.904 -19.637 6.753 1.00 0.00 H ATOM 209 HB2 CYS A 14 4.881 -17.391 6.752 1.00 0.00 H ATOM 210 HB3 CYS A 14 5.095 -19.084 7.361 1.00 0.00 H ATOM 211 N LYS A 15 3.040 -19.689 9.488 1.00 0.00 N ATOM 212 CA LYS A 15 2.582 -19.937 10.866 1.00 0.00 C ATOM 213 C LYS A 15 3.168 -19.140 12.066 1.00 0.00 C ATOM 214 O LYS A 15 2.488 -19.101 13.088 1.00 0.00 O ATOM 215 CB LYS A 15 2.487 -21.458 11.142 1.00 0.00 C ATOM 216 CG LYS A 15 3.842 -22.211 11.339 1.00 0.00 C ATOM 217 CD LYS A 15 3.681 -23.752 11.416 1.00 0.00 C ATOM 218 CE LYS A 15 5.070 -24.360 11.277 1.00 0.00 C ATOM 219 NZ LYS A 15 4.972 -25.819 11.056 1.00 0.00 N ATOM 220 H LYS A 15 3.526 -20.427 8.998 1.00 0.00 H ATOM 221 HA LYS A 15 1.581 -19.519 10.755 1.00 0.00 H ATOM 222 HB2 LYS A 15 1.813 -21.575 11.991 1.00 0.00 H ATOM 223 HB3 LYS A 15 2.038 -21.894 10.250 1.00 0.00 H ATOM 224 HG2 LYS A 15 4.476 -21.920 10.502 1.00 0.00 H ATOM 225 HG3 LYS A 15 4.265 -21.803 12.257 1.00 0.00 H ATOM 226 HD2 LYS A 15 3.258 -23.842 12.417 1.00 0.00 H ATOM 227 HD3 LYS A 15 3.027 -24.160 10.645 1.00 0.00 H ATOM 228 HE2 LYS A 15 5.572 -23.854 10.452 1.00 0.00 H ATOM 229 HE3 LYS A 15 5.650 -24.058 12.149 1.00 0.00 H ATOM 230 HZ1 LYS A 15 5.891 -26.196 10.873 1.00 0.00 H ATOM 231 HZ2 LYS A 15 4.525 -26.294 11.827 1.00 0.00 H ATOM 232 HZ3 LYS A 15 4.457 -26.071 10.224 1.00 0.00 H ATOM 233 N ALA A 16 4.183 -18.308 11.893 1.00 0.00 N ATOM 234 CA ALA A 16 4.792 -17.419 12.911 1.00 0.00 C ATOM 235 C ALA A 16 4.012 -16.102 13.171 1.00 0.00 C ATOM 236 O ALA A 16 3.077 -15.829 12.483 1.00 0.00 O ATOM 237 CB ALA A 16 6.245 -17.369 12.505 1.00 0.00 C ATOM 238 H ALA A 16 4.660 -18.353 11.004 1.00 0.00 H ATOM 239 HA ALA A 16 4.710 -17.902 13.884 1.00 0.00 H ATOM 240 HB1 ALA A 16 6.370 -16.590 11.752 1.00 0.00 H ATOM 241 HB2 ALA A 16 6.905 -17.116 13.335 1.00 0.00 H ATOM 242 HB3 ALA A 16 6.666 -18.338 12.238 1.00 0.00 H ATOM 243 N ARG A 17 4.434 -15.382 14.265 1.00 0.00 N ATOM 244 CA ARG A 17 3.794 -14.113 14.750 1.00 0.00 C ATOM 245 C ARG A 17 4.885 -13.022 14.910 1.00 0.00 C ATOM 246 O ARG A 17 4.694 -12.039 15.591 1.00 0.00 O ATOM 247 CB ARG A 17 3.032 -14.451 16.064 1.00 0.00 C ATOM 248 CG ARG A 17 2.110 -15.629 16.028 1.00 0.00 C ATOM 249 CD ARG A 17 0.974 -15.737 14.993 1.00 0.00 C ATOM 250 NE ARG A 17 -0.087 -14.742 15.265 1.00 0.00 N ATOM 251 CZ ARG A 17 -0.609 -14.001 14.338 1.00 0.00 C ATOM 252 NH1 ARG A 17 -0.400 -14.031 13.046 1.00 0.00 N ATOM 253 NH2 ARG A 17 -1.470 -13.060 14.730 1.00 0.00 N ATOM 254 H ARG A 17 5.184 -15.819 14.783 1.00 0.00 H ATOM 255 HA ARG A 17 3.075 -13.764 14.008 1.00 0.00 H ATOM 256 HB2 ARG A 17 3.773 -14.712 16.819 1.00 0.00 H ATOM 257 HB3 ARG A 17 2.505 -13.607 16.510 1.00 0.00 H ATOM 258 HG2 ARG A 17 2.638 -16.548 15.773 1.00 0.00 H ATOM 259 HG3 ARG A 17 1.644 -15.713 17.010 1.00 0.00 H ATOM 260 HD2 ARG A 17 1.282 -15.703 13.948 1.00 0.00 H ATOM 261 HD3 ARG A 17 0.632 -16.762 15.140 1.00 0.00 H ATOM 262 HE ARG A 17 -0.440 -14.534 16.189 1.00 0.00 H ATOM 263 HH11 ARG A 17 0.204 -14.718 12.617 1.00 0.00 H ATOM 264 HH12 ARG A 17 -0.922 -13.340 12.528 1.00 0.00 H ATOM 265 HH21 ARG A 17 -1.774 -13.060 15.693 1.00 0.00 H ATOM 266 HH22 ARG A 17 -1.935 -12.511 14.020 1.00 0.00 H ATOM 267 N ILE A 18 6.007 -13.111 14.253 1.00 0.00 N ATOM 268 CA ILE A 18 7.191 -12.307 14.496 1.00 0.00 C ATOM 269 C ILE A 18 6.939 -10.792 14.150 1.00 0.00 C ATOM 270 O ILE A 18 6.517 -10.435 13.050 1.00 0.00 O ATOM 271 CB ILE A 18 8.320 -12.892 13.575 1.00 0.00 C ATOM 272 CG1 ILE A 18 8.597 -14.396 13.719 1.00 0.00 C ATOM 273 CG2 ILE A 18 9.761 -12.226 13.877 1.00 0.00 C ATOM 274 CD1 ILE A 18 9.360 -15.080 12.562 1.00 0.00 C ATOM 275 H ILE A 18 5.960 -13.877 13.597 1.00 0.00 H ATOM 276 HA ILE A 18 7.447 -12.347 15.555 1.00 0.00 H ATOM 277 HB ILE A 18 8.151 -12.525 12.563 1.00 0.00 H ATOM 278 HG12 ILE A 18 9.068 -14.693 14.656 1.00 0.00 H ATOM 279 HG13 ILE A 18 7.615 -14.870 13.695 1.00 0.00 H ATOM 280 HG21 ILE A 18 9.725 -11.186 13.551 1.00 0.00 H ATOM 281 HG22 ILE A 18 9.934 -12.186 14.953 1.00 0.00 H ATOM 282 HG23 ILE A 18 10.590 -12.686 13.340 1.00 0.00 H ATOM 283 HD11 ILE A 18 9.299 -16.161 12.690 1.00 0.00 H ATOM 284 HD12 ILE A 18 8.711 -15.061 11.686 1.00 0.00 H ATOM 285 HD13 ILE A 18 10.313 -14.694 12.202 1.00 0.00 H ATOM 286 N ILE A 19 7.306 -9.925 15.155 1.00 0.00 N ATOM 287 CA ILE A 19 7.143 -8.504 14.984 1.00 0.00 C ATOM 288 C ILE A 19 8.120 -8.017 13.910 1.00 0.00 C ATOM 289 O ILE A 19 9.341 -8.009 14.103 1.00 0.00 O ATOM 290 CB ILE A 19 7.343 -7.858 16.368 1.00 0.00 C ATOM 291 CG1 ILE A 19 6.338 -8.250 17.406 1.00 0.00 C ATOM 292 CG2 ILE A 19 7.524 -6.343 16.256 1.00 0.00 C ATOM 293 CD1 ILE A 19 4.922 -7.651 17.391 1.00 0.00 C ATOM 294 H ILE A 19 7.787 -10.221 15.992 1.00 0.00 H ATOM 295 HA ILE A 19 6.128 -8.366 14.613 1.00 0.00 H ATOM 296 HB ILE A 19 8.343 -8.126 16.706 1.00 0.00 H ATOM 297 HG12 ILE A 19 6.183 -9.329 17.377 1.00 0.00 H ATOM 298 HG13 ILE A 19 6.680 -8.112 18.432 1.00 0.00 H ATOM 299 HG21 ILE A 19 7.722 -5.928 17.244 1.00 0.00 H ATOM 300 HG22 ILE A 19 8.325 -6.086 15.563 1.00 0.00 H ATOM 301 HG23 ILE A 19 6.592 -5.894 15.911 1.00 0.00 H ATOM 302 HD11 ILE A 19 4.265 -8.098 18.137 1.00 0.00 H ATOM 303 HD12 ILE A 19 5.067 -6.573 17.459 1.00 0.00 H ATOM 304 HD13 ILE A 19 4.405 -7.799 16.444 1.00 0.00 H ATOM 305 N ARG A 20 7.484 -7.559 12.847 1.00 0.00 N ATOM 306 CA ARG A 20 8.006 -6.620 11.818 1.00 0.00 C ATOM 307 C ARG A 20 7.381 -5.195 12.051 1.00 0.00 C ATOM 308 O ARG A 20 6.469 -4.925 12.841 1.00 0.00 O ATOM 309 CB ARG A 20 7.768 -7.155 10.394 1.00 0.00 C ATOM 310 CG ARG A 20 8.471 -8.394 9.998 1.00 0.00 C ATOM 311 CD ARG A 20 9.928 -8.192 10.186 1.00 0.00 C ATOM 312 NE ARG A 20 10.648 -9.365 9.593 1.00 0.00 N ATOM 313 CZ ARG A 20 11.302 -9.440 8.479 1.00 0.00 C ATOM 314 NH1 ARG A 20 11.310 -8.543 7.656 1.00 0.00 N ATOM 315 NH2 ARG A 20 12.074 -10.411 8.398 1.00 0.00 N ATOM 316 H ARG A 20 6.488 -7.631 12.997 1.00 0.00 H ATOM 317 HA ARG A 20 9.080 -6.560 11.990 1.00 0.00 H ATOM 318 HB2 ARG A 20 6.695 -7.300 10.265 1.00 0.00 H ATOM 319 HB3 ARG A 20 8.047 -6.370 9.692 1.00 0.00 H ATOM 320 HG2 ARG A 20 8.135 -9.295 10.511 1.00 0.00 H ATOM 321 HG3 ARG A 20 8.230 -8.607 8.957 1.00 0.00 H ATOM 322 HD2 ARG A 20 10.179 -7.264 9.672 1.00 0.00 H ATOM 323 HD3 ARG A 20 10.270 -8.122 11.218 1.00 0.00 H ATOM 324 HE ARG A 20 10.583 -10.257 10.062 1.00 0.00 H ATOM 325 HH11 ARG A 20 11.948 -8.654 6.881 1.00 0.00 H ATOM 326 HH12 ARG A 20 10.434 -8.064 7.501 1.00 0.00 H ATOM 327 HH21 ARG A 20 12.664 -10.491 7.582 1.00 0.00 H ATOM 328 HH22 ARG A 20 12.076 -11.064 9.168 1.00 0.00 H ATOM 329 N TYR A 21 8.057 -4.274 11.316 1.00 0.00 N ATOM 330 CA TYR A 21 7.877 -2.855 11.290 1.00 0.00 C ATOM 331 C TYR A 21 7.370 -2.405 9.910 1.00 0.00 C ATOM 332 O TYR A 21 7.715 -3.011 8.928 1.00 0.00 O ATOM 333 CB TYR A 21 9.189 -2.077 11.595 1.00 0.00 C ATOM 334 CG TYR A 21 9.588 -2.396 13.044 1.00 0.00 C ATOM 335 CD1 TYR A 21 10.289 -3.582 13.268 1.00 0.00 C ATOM 336 CD2 TYR A 21 9.131 -1.658 14.140 1.00 0.00 C ATOM 337 CE1 TYR A 21 10.703 -3.986 14.591 1.00 0.00 C ATOM 338 CE2 TYR A 21 9.479 -2.044 15.471 1.00 0.00 C ATOM 339 CZ TYR A 21 10.212 -3.279 15.719 1.00 0.00 C ATOM 340 OH TYR A 21 10.433 -3.726 16.978 1.00 0.00 O ATOM 341 H TYR A 21 8.824 -4.517 10.706 1.00 0.00 H ATOM 342 HA TYR A 21 7.137 -2.522 12.018 1.00 0.00 H ATOM 343 HB2 TYR A 21 9.930 -2.319 10.833 1.00 0.00 H ATOM 344 HB3 TYR A 21 9.054 -0.996 11.570 1.00 0.00 H ATOM 345 HD1 TYR A 21 10.711 -4.133 12.441 1.00 0.00 H ATOM 346 HD2 TYR A 21 8.452 -0.822 14.065 1.00 0.00 H ATOM 347 HE1 TYR A 21 11.369 -4.836 14.619 1.00 0.00 H ATOM 348 HE2 TYR A 21 9.419 -1.347 16.293 1.00 0.00 H ATOM 349 HH TYR A 21 10.182 -3.094 17.655 1.00 0.00 H ATOM 350 N PHE A 22 6.477 -1.373 9.838 1.00 0.00 N ATOM 351 CA PHE A 22 5.979 -0.736 8.661 1.00 0.00 C ATOM 352 C PHE A 22 5.656 0.773 8.907 1.00 0.00 C ATOM 353 O PHE A 22 5.717 1.236 10.042 1.00 0.00 O ATOM 354 CB PHE A 22 4.736 -1.449 8.149 1.00 0.00 C ATOM 355 CG PHE A 22 3.435 -1.094 8.844 1.00 0.00 C ATOM 356 CD1 PHE A 22 2.423 -0.309 8.345 1.00 0.00 C ATOM 357 CD2 PHE A 22 3.242 -1.546 10.167 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.219 -0.036 9.014 1.00 0.00 C ATOM 359 CE2 PHE A 22 2.066 -1.269 10.895 1.00 0.00 C ATOM 360 CZ PHE A 22 1.071 -0.451 10.318 1.00 0.00 C ATOM 361 H PHE A 22 6.145 -0.982 10.708 1.00 0.00 H ATOM 362 HA PHE A 22 6.686 -0.643 7.838 1.00 0.00 H ATOM 363 HB2 PHE A 22 4.466 -1.293 7.104 1.00 0.00 H ATOM 364 HB3 PHE A 22 4.966 -2.509 8.251 1.00 0.00 H ATOM 365 HD1 PHE A 22 2.560 0.133 7.368 1.00 0.00 H ATOM 366 HD2 PHE A 22 3.985 -2.177 10.632 1.00 0.00 H ATOM 367 HE1 PHE A 22 0.420 0.549 8.580 1.00 0.00 H ATOM 368 HE2 PHE A 22 1.933 -1.708 11.873 1.00 0.00 H ATOM 369 HZ PHE A 22 0.142 -0.244 10.829 1.00 0.00 H ATOM 370 N TYR A 23 5.442 1.527 7.791 1.00 0.00 N ATOM 371 CA TYR A 23 4.972 2.928 7.941 1.00 0.00 C ATOM 372 C TYR A 23 3.452 3.055 7.889 1.00 0.00 C ATOM 373 O TYR A 23 2.869 2.997 6.803 1.00 0.00 O ATOM 374 CB TYR A 23 5.729 3.807 6.860 1.00 0.00 C ATOM 375 CG TYR A 23 5.726 5.334 7.253 1.00 0.00 C ATOM 376 CD1 TYR A 23 4.739 6.105 6.715 1.00 0.00 C ATOM 377 CD2 TYR A 23 6.682 5.875 8.052 1.00 0.00 C ATOM 378 CE1 TYR A 23 4.763 7.476 6.969 1.00 0.00 C ATOM 379 CE2 TYR A 23 6.656 7.212 8.473 1.00 0.00 C ATOM 380 CZ TYR A 23 5.633 8.031 7.885 1.00 0.00 C ATOM 381 OH TYR A 23 5.600 9.331 8.298 1.00 0.00 O ATOM 382 H TYR A 23 5.566 1.202 6.843 1.00 0.00 H ATOM 383 HA TYR A 23 5.207 3.388 8.900 1.00 0.00 H ATOM 384 HB2 TYR A 23 6.777 3.513 6.820 1.00 0.00 H ATOM 385 HB3 TYR A 23 5.193 3.709 5.916 1.00 0.00 H ATOM 386 HD1 TYR A 23 4.053 5.744 5.963 1.00 0.00 H ATOM 387 HD2 TYR A 23 7.506 5.271 8.403 1.00 0.00 H ATOM 388 HE1 TYR A 23 4.097 8.209 6.539 1.00 0.00 H ATOM 389 HE2 TYR A 23 7.450 7.527 9.133 1.00 0.00 H ATOM 390 HH TYR A 23 6.417 9.577 8.737 1.00 0.00 H ATOM 391 N ASN A 24 2.828 3.289 9.070 1.00 0.00 N ATOM 392 CA ASN A 24 1.390 3.611 9.146 1.00 0.00 C ATOM 393 C ASN A 24 1.145 5.035 8.696 1.00 0.00 C ATOM 394 O ASN A 24 1.263 5.995 9.458 1.00 0.00 O ATOM 395 CB ASN A 24 0.811 3.319 10.533 1.00 0.00 C ATOM 396 CG ASN A 24 -0.680 3.743 10.614 1.00 0.00 C ATOM 397 OD1 ASN A 24 -1.355 3.814 9.536 1.00 0.00 O ATOM 398 ND2 ASN A 24 -1.133 4.049 11.793 1.00 0.00 N ATOM 399 H ASN A 24 3.459 3.346 9.856 1.00 0.00 H ATOM 400 HA ASN A 24 0.808 3.014 8.444 1.00 0.00 H ATOM 401 HB2 ASN A 24 0.868 2.247 10.721 1.00 0.00 H ATOM 402 HB3 ASN A 24 1.391 3.841 11.295 1.00 0.00 H ATOM 403 HD21 ASN A 24 -2.114 4.252 11.924 1.00 0.00 H ATOM 404 HD22 ASN A 24 -0.547 3.660 12.517 1.00 0.00 H ATOM 405 N ALA A 25 0.760 5.106 7.429 1.00 0.00 N ATOM 406 CA ALA A 25 0.700 6.390 6.695 1.00 0.00 C ATOM 407 C ALA A 25 -0.451 7.206 7.424 1.00 0.00 C ATOM 408 O ALA A 25 -0.343 8.402 7.648 1.00 0.00 O ATOM 409 CB ALA A 25 0.392 6.017 5.190 1.00 0.00 C ATOM 410 H ALA A 25 0.742 4.243 6.906 1.00 0.00 H ATOM 411 HA ALA A 25 1.662 6.901 6.665 1.00 0.00 H ATOM 412 HB1 ALA A 25 -0.470 5.364 5.051 1.00 0.00 H ATOM 413 HB2 ALA A 25 0.280 6.895 4.554 1.00 0.00 H ATOM 414 HB3 ALA A 25 1.279 5.475 4.861 1.00 0.00 H ATOM 415 N LYS A 26 -1.536 6.511 7.843 1.00 0.00 N ATOM 416 CA LYS A 26 -2.664 7.139 8.539 1.00 0.00 C ATOM 417 C LYS A 26 -2.289 7.873 9.837 1.00 0.00 C ATOM 418 O LYS A 26 -2.947 8.845 10.153 1.00 0.00 O ATOM 419 CB LYS A 26 -3.810 6.050 8.872 1.00 0.00 C ATOM 420 CG LYS A 26 -5.180 6.725 8.689 1.00 0.00 C ATOM 421 CD LYS A 26 -6.349 5.849 9.045 1.00 0.00 C ATOM 422 CE LYS A 26 -7.693 6.571 8.721 1.00 0.00 C ATOM 423 NZ LYS A 26 -8.784 5.744 9.268 1.00 0.00 N ATOM 424 H LYS A 26 -1.759 5.707 7.274 1.00 0.00 H ATOM 425 HA LYS A 26 -3.066 7.791 7.764 1.00 0.00 H ATOM 426 HB2 LYS A 26 -3.735 5.225 8.163 1.00 0.00 H ATOM 427 HB3 LYS A 26 -3.800 5.581 9.856 1.00 0.00 H ATOM 428 HG2 LYS A 26 -5.150 7.634 9.289 1.00 0.00 H ATOM 429 HG3 LYS A 26 -5.213 6.939 7.620 1.00 0.00 H ATOM 430 HD2 LYS A 26 -6.165 4.906 8.530 1.00 0.00 H ATOM 431 HD3 LYS A 26 -6.306 5.644 10.114 1.00 0.00 H ATOM 432 HE2 LYS A 26 -7.623 7.585 9.116 1.00 0.00 H ATOM 433 HE3 LYS A 26 -7.645 6.687 7.638 1.00 0.00 H ATOM 434 HZ1 LYS A 26 -9.668 6.158 9.013 1.00 0.00 H ATOM 435 HZ2 LYS A 26 -8.755 4.780 8.968 1.00 0.00 H ATOM 436 HZ3 LYS A 26 -8.785 5.714 10.278 1.00 0.00 H ATOM 437 N ALA A 27 -1.203 7.405 10.559 1.00 0.00 N ATOM 438 CA ALA A 27 -0.686 8.124 11.724 1.00 0.00 C ATOM 439 C ALA A 27 0.677 8.788 11.413 1.00 0.00 C ATOM 440 O ALA A 27 1.226 9.450 12.333 1.00 0.00 O ATOM 441 CB ALA A 27 -0.726 7.280 12.952 1.00 0.00 C ATOM 442 H ALA A 27 -0.731 6.562 10.262 1.00 0.00 H ATOM 443 HA ALA A 27 -1.415 8.910 11.919 1.00 0.00 H ATOM 444 HB1 ALA A 27 -0.595 7.987 13.772 1.00 0.00 H ATOM 445 HB2 ALA A 27 -1.711 6.845 13.123 1.00 0.00 H ATOM 446 HB3 ALA A 27 0.072 6.546 12.845 1.00 0.00 H ATOM 447 N GLY A 28 1.248 8.681 10.218 1.00 0.00 N ATOM 448 CA GLY A 28 2.403 9.458 9.885 1.00 0.00 C ATOM 449 C GLY A 28 3.641 9.062 10.729 1.00 0.00 C ATOM 450 O GLY A 28 4.407 9.936 11.218 1.00 0.00 O ATOM 451 H GLY A 28 0.863 8.117 9.474 1.00 0.00 H ATOM 452 HA2 GLY A 28 2.698 9.222 8.862 1.00 0.00 H ATOM 453 HA3 GLY A 28 2.226 10.500 10.151 1.00 0.00 H ATOM 454 N LEU A 29 3.714 7.754 11.018 1.00 0.00 N ATOM 455 CA LEU A 29 4.794 7.134 11.896 1.00 0.00 C ATOM 456 C LEU A 29 5.105 5.684 11.533 1.00 0.00 C ATOM 457 O LEU A 29 4.175 5.026 11.037 1.00 0.00 O ATOM 458 CB LEU A 29 4.314 7.073 13.362 1.00 0.00 C ATOM 459 CG LEU A 29 5.444 7.414 14.411 1.00 0.00 C ATOM 460 CD1 LEU A 29 5.713 8.941 14.534 1.00 0.00 C ATOM 461 CD2 LEU A 29 4.977 6.812 15.750 1.00 0.00 C ATOM 462 H LEU A 29 2.939 7.177 10.723 1.00 0.00 H ATOM 463 HA LEU A 29 5.695 7.744 11.845 1.00 0.00 H ATOM 464 HB2 LEU A 29 3.644 7.928 13.446 1.00 0.00 H ATOM 465 HB3 LEU A 29 3.885 6.105 13.623 1.00 0.00 H ATOM 466 HG LEU A 29 6.330 6.899 14.038 1.00 0.00 H ATOM 467 HD11 LEU A 29 4.838 9.512 14.846 1.00 0.00 H ATOM 468 HD12 LEU A 29 6.418 9.013 15.362 1.00 0.00 H ATOM 469 HD13 LEU A 29 6.104 9.386 13.619 1.00 0.00 H ATOM 470 HD21 LEU A 29 5.715 6.953 16.540 1.00 0.00 H ATOM 471 HD22 LEU A 29 4.049 7.273 16.089 1.00 0.00 H ATOM 472 HD23 LEU A 29 4.812 5.749 15.573 1.00 0.00 H ATOM 473 N CYS A 30 6.299 5.155 11.773 1.00 0.00 N ATOM 474 CA CYS A 30 6.628 3.768 11.766 1.00 0.00 C ATOM 475 C CYS A 30 6.129 3.109 13.108 1.00 0.00 C ATOM 476 O CYS A 30 6.237 3.592 14.230 1.00 0.00 O ATOM 477 CB CYS A 30 8.205 3.616 11.774 1.00 0.00 C ATOM 478 SG CYS A 30 9.044 4.016 10.229 1.00 0.00 S ATOM 479 H CYS A 30 7.040 5.799 12.011 1.00 0.00 H ATOM 480 HA CYS A 30 6.178 3.346 10.867 1.00 0.00 H ATOM 481 HB2 CYS A 30 8.551 4.267 12.577 1.00 0.00 H ATOM 482 HB3 CYS A 30 8.458 2.574 11.970 1.00 0.00 H ATOM 483 N GLN A 31 5.647 1.840 12.924 1.00 0.00 N ATOM 484 CA GLN A 31 4.809 1.106 13.924 1.00 0.00 C ATOM 485 C GLN A 31 4.962 -0.411 13.649 1.00 0.00 C ATOM 486 O GLN A 31 5.518 -0.779 12.632 1.00 0.00 O ATOM 487 CB GLN A 31 3.334 1.617 13.977 1.00 0.00 C ATOM 488 CG GLN A 31 3.039 3.023 14.324 1.00 0.00 C ATOM 489 CD GLN A 31 1.528 3.328 14.415 1.00 0.00 C ATOM 490 OE1 GLN A 31 0.713 2.677 13.797 1.00 0.00 O ATOM 491 NE2 GLN A 31 1.181 4.459 15.046 1.00 0.00 N ATOM 492 H GLN A 31 5.671 1.475 11.982 1.00 0.00 H ATOM 493 HA GLN A 31 5.211 1.188 14.934 1.00 0.00 H ATOM 494 HB2 GLN A 31 2.906 1.543 12.978 1.00 0.00 H ATOM 495 HB3 GLN A 31 2.752 0.961 14.624 1.00 0.00 H ATOM 496 HG2 GLN A 31 3.509 3.268 15.276 1.00 0.00 H ATOM 497 HG3 GLN A 31 3.562 3.586 13.550 1.00 0.00 H ATOM 498 HE21 GLN A 31 0.247 4.834 15.130 1.00 0.00 H ATOM 499 HE22 GLN A 31 1.961 4.885 15.525 1.00 0.00 H ATOM 500 N THR A 32 4.466 -1.218 14.575 1.00 0.00 N ATOM 501 CA THR A 32 4.558 -2.660 14.660 1.00 0.00 C ATOM 502 C THR A 32 3.360 -3.332 13.955 1.00 0.00 C ATOM 503 O THR A 32 2.204 -2.870 14.037 1.00 0.00 O ATOM 504 CB THR A 32 4.760 -3.213 16.144 1.00 0.00 C ATOM 505 OG1 THR A 32 3.848 -2.618 17.043 1.00 0.00 O ATOM 506 CG2 THR A 32 6.172 -2.908 16.645 1.00 0.00 C ATOM 507 H THR A 32 4.011 -0.903 15.420 1.00 0.00 H ATOM 508 HA THR A 32 5.457 -2.945 14.113 1.00 0.00 H ATOM 509 HB THR A 32 4.559 -4.284 16.182 1.00 0.00 H ATOM 510 HG1 THR A 32 3.372 -3.323 17.488 1.00 0.00 H ATOM 511 HG21 THR A 32 6.365 -1.851 16.827 1.00 0.00 H ATOM 512 HG22 THR A 32 6.244 -3.338 17.644 1.00 0.00 H ATOM 513 HG23 THR A 32 6.923 -3.285 15.951 1.00 0.00 H ATOM 514 N PHE A 33 3.704 -4.519 13.398 1.00 0.00 N ATOM 515 CA PHE A 33 2.741 -5.558 13.036 1.00 0.00 C ATOM 516 C PHE A 33 3.316 -6.967 13.044 1.00 0.00 C ATOM 517 O PHE A 33 4.513 -7.185 12.939 1.00 0.00 O ATOM 518 CB PHE A 33 2.029 -5.210 11.699 1.00 0.00 C ATOM 519 CG PHE A 33 2.826 -5.715 10.519 1.00 0.00 C ATOM 520 CD1 PHE A 33 2.321 -6.793 9.740 1.00 0.00 C ATOM 521 CD2 PHE A 33 4.015 -5.088 10.095 1.00 0.00 C ATOM 522 CE1 PHE A 33 3.093 -7.286 8.608 1.00 0.00 C ATOM 523 CE2 PHE A 33 4.645 -5.509 8.900 1.00 0.00 C ATOM 524 CZ PHE A 33 4.206 -6.608 8.178 1.00 0.00 C ATOM 525 H PHE A 33 4.662 -4.695 13.131 1.00 0.00 H ATOM 526 HA PHE A 33 1.985 -5.629 13.818 1.00 0.00 H ATOM 527 HB2 PHE A 33 1.082 -5.729 11.847 1.00 0.00 H ATOM 528 HB3 PHE A 33 1.749 -4.165 11.565 1.00 0.00 H ATOM 529 HD1 PHE A 33 1.524 -7.355 10.205 1.00 0.00 H ATOM 530 HD2 PHE A 33 4.280 -4.231 10.697 1.00 0.00 H ATOM 531 HE1 PHE A 33 2.721 -8.132 8.050 1.00 0.00 H ATOM 532 HE2 PHE A 33 5.503 -4.950 8.558 1.00 0.00 H ATOM 533 HZ PHE A 33 4.799 -6.963 7.348 1.00 0.00 H ATOM 534 N VAL A 34 2.452 -7.989 13.168 1.00 0.00 N ATOM 535 CA VAL A 34 2.912 -9.385 13.166 1.00 0.00 C ATOM 536 C VAL A 34 2.894 -10.062 11.815 1.00 0.00 C ATOM 537 O VAL A 34 2.043 -9.804 10.991 1.00 0.00 O ATOM 538 CB VAL A 34 2.134 -10.252 14.125 1.00 0.00 C ATOM 539 CG1 VAL A 34 2.112 -9.683 15.584 1.00 0.00 C ATOM 540 CG2 VAL A 34 0.588 -10.294 13.716 1.00 0.00 C ATOM 541 H VAL A 34 1.525 -7.851 13.546 1.00 0.00 H ATOM 542 HA VAL A 34 3.951 -9.341 13.493 1.00 0.00 H ATOM 543 HB VAL A 34 2.590 -11.242 14.160 1.00 0.00 H ATOM 544 HG11 VAL A 34 3.133 -9.744 15.961 1.00 0.00 H ATOM 545 HG12 VAL A 34 1.983 -8.603 15.514 1.00 0.00 H ATOM 546 HG13 VAL A 34 1.473 -10.263 16.248 1.00 0.00 H ATOM 547 HG21 VAL A 34 0.190 -9.281 13.644 1.00 0.00 H ATOM 548 HG22 VAL A 34 0.469 -10.701 12.712 1.00 0.00 H ATOM 549 HG23 VAL A 34 0.106 -10.985 14.407 1.00 0.00 H ATOM 550 N TYR A 35 3.814 -10.982 11.645 1.00 0.00 N ATOM 551 CA TYR A 35 4.160 -11.476 10.334 1.00 0.00 C ATOM 552 C TYR A 35 4.542 -12.988 10.394 1.00 0.00 C ATOM 553 O TYR A 35 5.414 -13.426 11.118 1.00 0.00 O ATOM 554 CB TYR A 35 5.203 -10.543 9.874 1.00 0.00 C ATOM 555 CG TYR A 35 6.004 -10.946 8.613 1.00 0.00 C ATOM 556 CD1 TYR A 35 5.348 -10.903 7.365 1.00 0.00 C ATOM 557 CD2 TYR A 35 7.332 -11.351 8.673 1.00 0.00 C ATOM 558 CE1 TYR A 35 6.062 -11.323 6.208 1.00 0.00 C ATOM 559 CE2 TYR A 35 8.123 -11.576 7.524 1.00 0.00 C ATOM 560 CZ TYR A 35 7.464 -11.535 6.278 1.00 0.00 C ATOM 561 OH TYR A 35 8.148 -11.824 5.176 1.00 0.00 O ATOM 562 H TYR A 35 4.601 -10.930 12.276 1.00 0.00 H ATOM 563 HA TYR A 35 3.297 -11.395 9.673 1.00 0.00 H ATOM 564 HB2 TYR A 35 4.731 -9.574 9.714 1.00 0.00 H ATOM 565 HB3 TYR A 35 5.981 -10.439 10.630 1.00 0.00 H ATOM 566 HD1 TYR A 35 4.319 -10.579 7.297 1.00 0.00 H ATOM 567 HD2 TYR A 35 7.900 -11.256 9.587 1.00 0.00 H ATOM 568 HE1 TYR A 35 5.595 -11.384 5.236 1.00 0.00 H ATOM 569 HE2 TYR A 35 9.187 -11.761 7.543 1.00 0.00 H ATOM 570 HH TYR A 35 9.094 -11.880 5.329 1.00 0.00 H ATOM 571 N GLY A 36 4.106 -13.725 9.407 1.00 0.00 N ATOM 572 CA GLY A 36 4.181 -15.187 9.310 1.00 0.00 C ATOM 573 C GLY A 36 5.541 -15.769 8.895 1.00 0.00 C ATOM 574 O GLY A 36 5.752 -16.993 9.080 1.00 0.00 O ATOM 575 H GLY A 36 3.488 -13.296 8.733 1.00 0.00 H ATOM 576 HA2 GLY A 36 4.030 -15.572 10.318 1.00 0.00 H ATOM 577 HA3 GLY A 36 3.287 -15.514 8.779 1.00 0.00 H ATOM 578 N GLY A 37 6.518 -14.952 8.545 1.00 0.00 N ATOM 579 CA GLY A 37 7.863 -15.378 8.107 1.00 0.00 C ATOM 580 C GLY A 37 7.965 -15.804 6.669 1.00 0.00 C ATOM 581 O GLY A 37 8.796 -16.604 6.374 1.00 0.00 O ATOM 582 H GLY A 37 6.260 -13.985 8.684 1.00 0.00 H ATOM 583 HA2 GLY A 37 8.656 -14.644 8.247 1.00 0.00 H ATOM 584 HA3 GLY A 37 8.115 -16.335 8.566 1.00 0.00 H ATOM 585 N CYS A 38 7.161 -15.319 5.791 1.00 0.00 N ATOM 586 CA CYS A 38 7.170 -15.482 4.311 1.00 0.00 C ATOM 587 C CYS A 38 6.413 -14.398 3.594 1.00 0.00 C ATOM 588 O CYS A 38 5.578 -13.722 4.185 1.00 0.00 O ATOM 589 CB CYS A 38 6.754 -16.815 3.824 1.00 0.00 C ATOM 590 SG CYS A 38 4.937 -17.145 3.840 1.00 0.00 S ATOM 591 H CYS A 38 6.538 -14.628 6.184 1.00 0.00 H ATOM 592 HA CYS A 38 8.215 -15.445 4.001 1.00 0.00 H ATOM 593 HB2 CYS A 38 7.174 -16.971 2.830 1.00 0.00 H ATOM 594 HB3 CYS A 38 7.211 -17.580 4.452 1.00 0.00 H ATOM 595 N ARG A 39 6.772 -14.282 2.293 1.00 0.00 N ATOM 596 CA ARG A 39 6.097 -13.526 1.228 1.00 0.00 C ATOM 597 C ARG A 39 5.858 -12.029 1.522 1.00 0.00 C ATOM 598 O ARG A 39 4.698 -11.587 1.496 1.00 0.00 O ATOM 599 CB ARG A 39 4.867 -14.303 0.628 1.00 0.00 C ATOM 600 CG ARG A 39 5.207 -15.756 0.229 1.00 0.00 C ATOM 601 CD ARG A 39 4.004 -16.561 -0.314 1.00 0.00 C ATOM 602 NE ARG A 39 4.562 -17.905 -0.627 1.00 0.00 N ATOM 603 CZ ARG A 39 3.936 -19.017 -0.980 1.00 0.00 C ATOM 604 NH1 ARG A 39 2.638 -19.088 -1.273 1.00 0.00 N ATOM 605 NH2 ARG A 39 4.621 -20.147 -0.945 1.00 0.00 N ATOM 606 H ARG A 39 7.524 -14.812 1.875 1.00 0.00 H ATOM 607 HA ARG A 39 6.866 -13.477 0.457 1.00 0.00 H ATOM 608 HB2 ARG A 39 4.111 -14.544 1.375 1.00 0.00 H ATOM 609 HB3 ARG A 39 4.241 -13.755 -0.076 1.00 0.00 H ATOM 610 HG2 ARG A 39 6.053 -15.727 -0.458 1.00 0.00 H ATOM 611 HG3 ARG A 39 5.573 -16.373 1.050 1.00 0.00 H ATOM 612 HD2 ARG A 39 3.292 -16.747 0.490 1.00 0.00 H ATOM 613 HD3 ARG A 39 3.615 -16.098 -1.221 1.00 0.00 H ATOM 614 HE ARG A 39 5.566 -18.012 -0.659 1.00 0.00 H ATOM 615 HH11 ARG A 39 2.080 -18.250 -1.185 1.00 0.00 H ATOM 616 HH12 ARG A 39 2.079 -19.870 -1.582 1.00 0.00 H ATOM 617 HH21 ARG A 39 5.594 -20.041 -0.696 1.00 0.00 H ATOM 618 HH22 ARG A 39 4.182 -21.041 -0.781 1.00 0.00 H ATOM 619 N ALA A 40 6.854 -11.319 1.959 1.00 0.00 N ATOM 620 CA ALA A 40 6.717 -9.865 2.308 1.00 0.00 C ATOM 621 C ALA A 40 5.884 -9.145 1.334 1.00 0.00 C ATOM 622 O ALA A 40 6.154 -9.243 0.108 1.00 0.00 O ATOM 623 CB ALA A 40 8.136 -9.265 2.420 1.00 0.00 C ATOM 624 H ALA A 40 7.762 -11.748 2.068 1.00 0.00 H ATOM 625 HA ALA A 40 6.337 -9.868 3.330 1.00 0.00 H ATOM 626 HB1 ALA A 40 8.817 -9.431 1.585 1.00 0.00 H ATOM 627 HB2 ALA A 40 8.098 -8.262 2.847 1.00 0.00 H ATOM 628 HB3 ALA A 40 8.665 -9.799 3.209 1.00 0.00 H ATOM 629 N LYS A 41 5.081 -8.146 1.750 1.00 0.00 N ATOM 630 CA LYS A 41 4.813 -6.980 0.893 1.00 0.00 C ATOM 631 C LYS A 41 5.903 -5.937 1.023 1.00 0.00 C ATOM 632 O LYS A 41 6.776 -5.994 1.909 1.00 0.00 O ATOM 633 CB LYS A 41 3.350 -6.565 1.046 1.00 0.00 C ATOM 634 CG LYS A 41 2.435 -7.643 0.544 1.00 0.00 C ATOM 635 CD LYS A 41 1.060 -7.188 0.196 1.00 0.00 C ATOM 636 CE LYS A 41 0.165 -8.134 -0.614 1.00 0.00 C ATOM 637 NZ LYS A 41 -0.895 -7.367 -1.214 1.00 0.00 N ATOM 638 H LYS A 41 4.946 -8.044 2.746 1.00 0.00 H ATOM 639 HA LYS A 41 4.756 -7.366 -0.124 1.00 0.00 H ATOM 640 HB2 LYS A 41 3.106 -6.504 2.106 1.00 0.00 H ATOM 641 HB3 LYS A 41 3.236 -5.633 0.491 1.00 0.00 H ATOM 642 HG2 LYS A 41 2.831 -7.969 -0.418 1.00 0.00 H ATOM 643 HG3 LYS A 41 2.471 -8.562 1.130 1.00 0.00 H ATOM 644 HD2 LYS A 41 0.561 -6.954 1.136 1.00 0.00 H ATOM 645 HD3 LYS A 41 1.045 -6.187 -0.235 1.00 0.00 H ATOM 646 HE2 LYS A 41 0.715 -8.613 -1.424 1.00 0.00 H ATOM 647 HE3 LYS A 41 -0.192 -8.938 0.030 1.00 0.00 H ATOM 648 HZ1 LYS A 41 -1.548 -6.955 -0.563 1.00 0.00 H ATOM 649 HZ2 LYS A 41 -0.547 -6.734 -1.919 1.00 0.00 H ATOM 650 HZ3 LYS A 41 -1.437 -7.994 -1.792 1.00 0.00 H ATOM 651 N ARG A 42 5.880 -4.879 0.157 1.00 0.00 N ATOM 652 CA ARG A 42 6.897 -3.891 0.135 1.00 0.00 C ATOM 653 C ARG A 42 7.090 -3.129 1.442 1.00 0.00 C ATOM 654 O ARG A 42 8.237 -2.801 1.847 1.00 0.00 O ATOM 655 CB ARG A 42 6.572 -2.752 -0.892 1.00 0.00 C ATOM 656 CG ARG A 42 6.433 -3.218 -2.267 1.00 0.00 C ATOM 657 CD ARG A 42 6.403 -2.043 -3.308 1.00 0.00 C ATOM 658 NE ARG A 42 5.289 -1.052 -3.048 1.00 0.00 N ATOM 659 CZ ARG A 42 4.668 -0.234 -3.928 1.00 0.00 C ATOM 660 NH1 ARG A 42 4.993 -0.206 -5.192 1.00 0.00 N ATOM 661 NH2 ARG A 42 3.718 0.513 -3.507 1.00 0.00 N ATOM 662 H ARG A 42 5.203 -4.900 -0.593 1.00 0.00 H ATOM 663 HA ARG A 42 7.833 -4.353 -0.179 1.00 0.00 H ATOM 664 HB2 ARG A 42 5.650 -2.257 -0.587 1.00 0.00 H ATOM 665 HB3 ARG A 42 7.335 -1.977 -0.828 1.00 0.00 H ATOM 666 HG2 ARG A 42 7.265 -3.863 -2.550 1.00 0.00 H ATOM 667 HG3 ARG A 42 5.523 -3.793 -2.434 1.00 0.00 H ATOM 668 HD2 ARG A 42 7.384 -1.576 -3.395 1.00 0.00 H ATOM 669 HD3 ARG A 42 6.162 -2.367 -4.321 1.00 0.00 H ATOM 670 HE ARG A 42 4.750 -1.203 -2.207 1.00 0.00 H ATOM 671 HH11 ARG A 42 4.811 0.637 -5.717 1.00 0.00 H ATOM 672 HH12 ARG A 42 5.740 -0.845 -5.423 1.00 0.00 H ATOM 673 HH21 ARG A 42 3.275 0.317 -2.620 1.00 0.00 H ATOM 674 HH22 ARG A 42 3.204 1.143 -4.106 1.00 0.00 H ATOM 675 N ASN A 43 5.973 -2.758 2.160 1.00 0.00 N ATOM 676 CA ASN A 43 5.975 -2.121 3.481 1.00 0.00 C ATOM 677 C ASN A 43 6.208 -3.110 4.663 1.00 0.00 C ATOM 678 O ASN A 43 5.292 -3.470 5.397 1.00 0.00 O ATOM 679 CB ASN A 43 4.754 -1.247 3.721 1.00 0.00 C ATOM 680 CG ASN A 43 4.921 -0.094 4.704 1.00 0.00 C ATOM 681 OD1 ASN A 43 5.872 0.050 5.351 1.00 0.00 O ATOM 682 ND2 ASN A 43 3.863 0.719 4.723 1.00 0.00 N ATOM 683 H ASN A 43 5.079 -2.804 1.692 1.00 0.00 H ATOM 684 HA ASN A 43 6.848 -1.475 3.384 1.00 0.00 H ATOM 685 HB2 ASN A 43 4.375 -0.760 2.822 1.00 0.00 H ATOM 686 HB3 ASN A 43 3.973 -1.902 4.107 1.00 0.00 H ATOM 687 HD21 ASN A 43 3.076 0.604 4.100 1.00 0.00 H ATOM 688 HD22 ASN A 43 3.782 1.482 5.380 1.00 0.00 H ATOM 689 N ASN A 44 7.442 -3.651 4.757 1.00 0.00 N ATOM 690 CA ASN A 44 7.760 -4.726 5.781 1.00 0.00 C ATOM 691 C ASN A 44 9.267 -4.609 5.992 1.00 0.00 C ATOM 692 O ASN A 44 9.984 -4.694 5.047 1.00 0.00 O ATOM 693 CB ASN A 44 7.427 -6.179 5.245 1.00 0.00 C ATOM 694 CG ASN A 44 7.725 -7.283 6.219 1.00 0.00 C ATOM 695 OD1 ASN A 44 8.653 -7.241 7.033 1.00 0.00 O ATOM 696 ND2 ASN A 44 7.057 -8.391 6.034 1.00 0.00 N ATOM 697 H ASN A 44 8.172 -3.465 4.085 1.00 0.00 H ATOM 698 HA ASN A 44 7.221 -4.689 6.728 1.00 0.00 H ATOM 699 HB2 ASN A 44 6.369 -6.170 4.983 1.00 0.00 H ATOM 700 HB3 ASN A 44 7.979 -6.327 4.316 1.00 0.00 H ATOM 701 HD21 ASN A 44 7.209 -9.098 6.739 1.00 0.00 H ATOM 702 HD22 ASN A 44 6.285 -8.431 5.383 1.00 0.00 H ATOM 703 N PHE A 45 9.665 -4.190 7.168 1.00 0.00 N ATOM 704 CA PHE A 45 10.990 -3.890 7.611 1.00 0.00 C ATOM 705 C PHE A 45 11.339 -4.643 8.918 1.00 0.00 C ATOM 706 O PHE A 45 10.511 -4.965 9.791 1.00 0.00 O ATOM 707 CB PHE A 45 11.184 -2.337 7.715 1.00 0.00 C ATOM 708 CG PHE A 45 10.654 -1.448 6.615 1.00 0.00 C ATOM 709 CD1 PHE A 45 9.429 -0.733 6.916 1.00 0.00 C ATOM 710 CD2 PHE A 45 11.263 -1.279 5.372 1.00 0.00 C ATOM 711 CE1 PHE A 45 8.888 0.180 5.973 1.00 0.00 C ATOM 712 CE2 PHE A 45 10.652 -0.483 4.424 1.00 0.00 C ATOM 713 CZ PHE A 45 9.478 0.282 4.699 1.00 0.00 C ATOM 714 H PHE A 45 8.932 -4.150 7.862 1.00 0.00 H ATOM 715 HA PHE A 45 11.579 -4.294 6.788 1.00 0.00 H ATOM 716 HB2 PHE A 45 10.703 -2.065 8.654 1.00 0.00 H ATOM 717 HB3 PHE A 45 12.241 -2.211 7.953 1.00 0.00 H ATOM 718 HD1 PHE A 45 8.935 -0.819 7.872 1.00 0.00 H ATOM 719 HD2 PHE A 45 12.151 -1.858 5.166 1.00 0.00 H ATOM 720 HE1 PHE A 45 8.066 0.817 6.265 1.00 0.00 H ATOM 721 HE2 PHE A 45 11.056 -0.566 3.426 1.00 0.00 H ATOM 722 HZ PHE A 45 9.044 0.854 3.892 1.00 0.00 H ATOM 723 N LYS A 46 12.628 -4.866 9.013 1.00 0.00 N ATOM 724 CA LYS A 46 13.280 -5.405 10.215 1.00 0.00 C ATOM 725 C LYS A 46 13.335 -4.493 11.399 1.00 0.00 C ATOM 726 O LYS A 46 13.449 -4.951 12.547 1.00 0.00 O ATOM 727 CB LYS A 46 14.730 -5.783 9.887 1.00 0.00 C ATOM 728 CG LYS A 46 15.689 -4.616 9.542 1.00 0.00 C ATOM 729 CD LYS A 46 17.095 -4.998 9.051 1.00 0.00 C ATOM 730 CE LYS A 46 17.022 -5.652 7.759 1.00 0.00 C ATOM 731 NZ LYS A 46 18.359 -5.783 7.094 1.00 0.00 N ATOM 732 H LYS A 46 13.134 -4.664 8.163 1.00 0.00 H ATOM 733 HA LYS A 46 12.825 -6.346 10.525 1.00 0.00 H ATOM 734 HB2 LYS A 46 15.174 -6.393 10.674 1.00 0.00 H ATOM 735 HB3 LYS A 46 14.632 -6.503 9.074 1.00 0.00 H ATOM 736 HG2 LYS A 46 15.232 -3.816 8.960 1.00 0.00 H ATOM 737 HG3 LYS A 46 16.032 -4.230 10.501 1.00 0.00 H ATOM 738 HD2 LYS A 46 17.759 -4.134 9.073 1.00 0.00 H ATOM 739 HD3 LYS A 46 17.515 -5.773 9.691 1.00 0.00 H ATOM 740 HE2 LYS A 46 16.450 -6.575 7.857 1.00 0.00 H ATOM 741 HE3 LYS A 46 16.469 -4.994 7.089 1.00 0.00 H ATOM 742 HZ1 LYS A 46 18.289 -6.042 6.120 1.00 0.00 H ATOM 743 HZ2 LYS A 46 18.959 -4.979 7.205 1.00 0.00 H ATOM 744 HZ3 LYS A 46 18.922 -6.541 7.454 1.00 0.00 H ATOM 745 N SER A 47 13.134 -3.218 11.175 1.00 0.00 N ATOM 746 CA SER A 47 13.349 -2.293 12.285 1.00 0.00 C ATOM 747 C SER A 47 12.694 -0.923 11.947 1.00 0.00 C ATOM 748 O SER A 47 12.532 -0.518 10.757 1.00 0.00 O ATOM 749 CB SER A 47 14.866 -2.123 12.645 1.00 0.00 C ATOM 750 OG SER A 47 15.642 -1.718 11.559 1.00 0.00 O ATOM 751 H SER A 47 13.233 -2.909 10.219 1.00 0.00 H ATOM 752 HA SER A 47 12.882 -2.674 13.193 1.00 0.00 H ATOM 753 HB2 SER A 47 14.933 -1.428 13.482 1.00 0.00 H ATOM 754 HB3 SER A 47 15.294 -3.094 12.895 1.00 0.00 H ATOM 755 HG SER A 47 16.556 -1.903 11.785 1.00 0.00 H ATOM 756 N ALA A 48 12.375 -0.176 12.984 1.00 0.00 N ATOM 757 CA ALA A 48 11.836 1.205 12.902 1.00 0.00 C ATOM 758 C ALA A 48 13.040 2.166 12.619 1.00 0.00 C ATOM 759 O ALA A 48 12.846 3.238 12.092 1.00 0.00 O ATOM 760 CB ALA A 48 11.053 1.480 14.189 1.00 0.00 C ATOM 761 H ALA A 48 12.322 -0.637 13.881 1.00 0.00 H ATOM 762 HA ALA A 48 11.138 1.234 12.066 1.00 0.00 H ATOM 763 HB1 ALA A 48 10.159 0.856 14.158 1.00 0.00 H ATOM 764 HB2 ALA A 48 11.798 1.116 14.896 1.00 0.00 H ATOM 765 HB3 ALA A 48 10.853 2.539 14.347 1.00 0.00 H ATOM 766 N GLU A 49 14.269 1.696 12.738 1.00 0.00 N ATOM 767 CA GLU A 49 15.549 2.323 12.263 1.00 0.00 C ATOM 768 C GLU A 49 15.719 2.179 10.791 1.00 0.00 C ATOM 769 O GLU A 49 15.858 3.202 10.072 1.00 0.00 O ATOM 770 CB GLU A 49 16.632 1.725 13.112 1.00 0.00 C ATOM 771 CG GLU A 49 18.128 1.981 12.727 1.00 0.00 C ATOM 772 CD GLU A 49 19.158 1.239 13.644 1.00 0.00 C ATOM 773 OE1 GLU A 49 20.058 0.577 13.143 1.00 0.00 O ATOM 774 OE2 GLU A 49 18.948 1.246 14.886 1.00 0.00 O ATOM 775 H GLU A 49 14.400 0.821 13.225 1.00 0.00 H ATOM 776 HA GLU A 49 15.454 3.387 12.483 1.00 0.00 H ATOM 777 HB2 GLU A 49 16.366 2.199 14.056 1.00 0.00 H ATOM 778 HB3 GLU A 49 16.450 0.653 13.037 1.00 0.00 H ATOM 779 HG2 GLU A 49 18.136 1.596 11.708 1.00 0.00 H ATOM 780 HG3 GLU A 49 18.356 3.047 12.715 1.00 0.00 H ATOM 781 N ASP A 50 15.449 1.003 10.228 1.00 0.00 N ATOM 782 CA ASP A 50 15.332 0.878 8.725 1.00 0.00 C ATOM 783 C ASP A 50 14.041 1.488 8.071 1.00 0.00 C ATOM 784 O ASP A 50 14.120 2.223 7.069 1.00 0.00 O ATOM 785 CB ASP A 50 15.633 -0.573 8.282 1.00 0.00 C ATOM 786 CG ASP A 50 15.895 -0.626 6.774 1.00 0.00 C ATOM 787 OD1 ASP A 50 16.848 0.049 6.344 1.00 0.00 O ATOM 788 OD2 ASP A 50 15.221 -1.371 5.994 1.00 0.00 O ATOM 789 H ASP A 50 15.155 0.218 10.791 1.00 0.00 H ATOM 790 HA ASP A 50 16.161 1.422 8.272 1.00 0.00 H ATOM 791 HB2 ASP A 50 16.524 -0.852 8.844 1.00 0.00 H ATOM 792 HB3 ASP A 50 14.821 -1.269 8.494 1.00 0.00 H ATOM 793 N CYS A 51 12.845 1.354 8.656 1.00 0.00 N ATOM 794 CA CYS A 51 11.618 2.060 8.308 1.00 0.00 C ATOM 795 C CYS A 51 11.758 3.594 8.285 1.00 0.00 C ATOM 796 O CYS A 51 11.353 4.228 7.311 1.00 0.00 O ATOM 797 CB CYS A 51 10.506 1.644 9.228 1.00 0.00 C ATOM 798 SG CYS A 51 8.832 2.388 9.059 1.00 0.00 S ATOM 799 H CYS A 51 12.798 0.918 9.566 1.00 0.00 H ATOM 800 HA CYS A 51 11.237 1.680 7.360 1.00 0.00 H ATOM 801 HB2 CYS A 51 10.393 0.561 9.184 1.00 0.00 H ATOM 802 HB3 CYS A 51 10.791 1.961 10.232 1.00 0.00 H ATOM 803 N MET A 52 12.378 4.204 9.299 1.00 0.00 N ATOM 804 CA MET A 52 12.708 5.603 9.261 1.00 0.00 C ATOM 805 C MET A 52 13.856 6.049 8.296 1.00 0.00 C ATOM 806 O MET A 52 13.895 7.083 7.678 1.00 0.00 O ATOM 807 CB MET A 52 12.970 6.087 10.726 1.00 0.00 C ATOM 808 CG MET A 52 11.722 6.125 11.691 1.00 0.00 C ATOM 809 SD MET A 52 12.141 6.646 13.366 1.00 0.00 S ATOM 810 CE MET A 52 13.123 5.328 14.092 1.00 0.00 C ATOM 811 H MET A 52 12.758 3.665 10.064 1.00 0.00 H ATOM 812 HA MET A 52 11.855 6.179 8.904 1.00 0.00 H ATOM 813 HB2 MET A 52 13.736 5.442 11.157 1.00 0.00 H ATOM 814 HB3 MET A 52 13.368 7.101 10.752 1.00 0.00 H ATOM 815 HG2 MET A 52 10.975 6.787 11.253 1.00 0.00 H ATOM 816 HG3 MET A 52 11.234 5.156 11.792 1.00 0.00 H ATOM 817 HE1 MET A 52 12.556 4.411 14.253 1.00 0.00 H ATOM 818 HE2 MET A 52 14.012 5.183 13.478 1.00 0.00 H ATOM 819 HE3 MET A 52 13.450 5.730 15.051 1.00 0.00 H ATOM 820 N ARG A 53 14.821 5.165 8.029 1.00 0.00 N ATOM 821 CA ARG A 53 15.884 5.306 7.040 1.00 0.00 C ATOM 822 C ARG A 53 15.300 5.136 5.579 1.00 0.00 C ATOM 823 O ARG A 53 15.792 5.696 4.634 1.00 0.00 O ATOM 824 CB ARG A 53 17.046 4.333 7.370 1.00 0.00 C ATOM 825 CG ARG A 53 18.257 4.651 6.467 1.00 0.00 C ATOM 826 CD ARG A 53 19.511 3.977 6.716 1.00 0.00 C ATOM 827 NE ARG A 53 19.279 2.554 6.875 1.00 0.00 N ATOM 828 CZ ARG A 53 19.602 1.776 7.898 1.00 0.00 C ATOM 829 NH1 ARG A 53 20.396 2.076 8.869 1.00 0.00 N ATOM 830 NH2 ARG A 53 19.123 0.539 7.954 1.00 0.00 N ATOM 831 H ARG A 53 14.949 4.313 8.556 1.00 0.00 H ATOM 832 HA ARG A 53 16.289 6.317 7.093 1.00 0.00 H ATOM 833 HB2 ARG A 53 17.345 4.503 8.404 1.00 0.00 H ATOM 834 HB3 ARG A 53 16.712 3.301 7.265 1.00 0.00 H ATOM 835 HG2 ARG A 53 17.986 4.585 5.413 1.00 0.00 H ATOM 836 HG3 ARG A 53 18.426 5.725 6.542 1.00 0.00 H ATOM 837 HD2 ARG A 53 20.226 4.008 5.894 1.00 0.00 H ATOM 838 HD3 ARG A 53 19.785 4.278 7.727 1.00 0.00 H ATOM 839 HE ARG A 53 18.788 2.067 6.138 1.00 0.00 H ATOM 840 HH11 ARG A 53 20.621 1.358 9.543 1.00 0.00 H ATOM 841 HH12 ARG A 53 21.040 2.852 8.807 1.00 0.00 H ATOM 842 HH21 ARG A 53 18.381 0.314 7.306 1.00 0.00 H ATOM 843 HH22 ARG A 53 19.382 -0.106 8.687 1.00 0.00 H ATOM 844 N THR A 54 14.153 4.454 5.497 1.00 0.00 N ATOM 845 CA THR A 54 13.448 4.173 4.196 1.00 0.00 C ATOM 846 C THR A 54 12.283 5.120 3.871 1.00 0.00 C ATOM 847 O THR A 54 12.211 5.569 2.723 1.00 0.00 O ATOM 848 CB THR A 54 13.092 2.651 4.096 1.00 0.00 C ATOM 849 OG1 THR A 54 14.248 1.842 4.091 1.00 0.00 O ATOM 850 CG2 THR A 54 12.397 2.301 2.778 1.00 0.00 C ATOM 851 H THR A 54 13.893 4.034 6.378 1.00 0.00 H ATOM 852 HA THR A 54 14.193 4.293 3.409 1.00 0.00 H ATOM 853 HB THR A 54 12.469 2.218 4.879 1.00 0.00 H ATOM 854 HG1 THR A 54 14.440 1.874 5.031 1.00 0.00 H ATOM 855 HG21 THR A 54 12.609 1.260 2.532 1.00 0.00 H ATOM 856 HG22 THR A 54 11.329 2.516 2.740 1.00 0.00 H ATOM 857 HG23 THR A 54 12.858 2.856 1.961 1.00 0.00 H ATOM 858 N CYS A 55 11.414 5.465 4.884 1.00 0.00 N ATOM 859 CA CYS A 55 10.100 6.043 4.700 1.00 0.00 C ATOM 860 C CYS A 55 9.920 7.406 5.386 1.00 0.00 C ATOM 861 O CYS A 55 8.855 7.913 5.661 1.00 0.00 O ATOM 862 CB CYS A 55 9.033 4.974 5.073 1.00 0.00 C ATOM 863 SG CYS A 55 8.585 3.686 3.823 1.00 0.00 S ATOM 864 H CYS A 55 11.490 4.844 5.677 1.00 0.00 H ATOM 865 HA CYS A 55 10.087 6.261 3.632 1.00 0.00 H ATOM 866 HB2 CYS A 55 9.447 4.531 5.979 1.00 0.00 H ATOM 867 HB3 CYS A 55 8.111 5.482 5.354 1.00 0.00 H ATOM 868 N GLY A 56 11.088 8.105 5.711 1.00 0.00 N ATOM 869 CA GLY A 56 11.076 9.290 6.702 1.00 0.00 C ATOM 870 C GLY A 56 10.557 10.564 5.980 1.00 0.00 C ATOM 871 O GLY A 56 10.245 11.546 6.679 1.00 0.00 O ATOM 872 H GLY A 56 12.000 7.772 5.435 1.00 0.00 H ATOM 873 HA2 GLY A 56 10.290 9.053 7.420 1.00 0.00 H ATOM 874 HA3 GLY A 56 12.083 9.460 7.083 1.00 0.00 H ATOM 875 N GLY A 57 10.609 10.624 4.640 1.00 0.00 N ATOM 876 CA GLY A 57 10.474 11.834 3.826 1.00 0.00 C ATOM 877 C GLY A 57 9.017 12.157 3.304 1.00 0.00 C ATOM 878 O GLY A 57 8.350 11.205 2.818 1.00 0.00 O ATOM 879 H GLY A 57 10.889 9.765 4.190 1.00 0.00 H ATOM 880 HA2 GLY A 57 10.807 12.611 4.514 1.00 0.00 H ATOM 881 HA3 GLY A 57 11.067 11.892 2.913 1.00 0.00 H ATOM 882 N ALA A 58 8.698 13.452 3.182 1.00 0.00 N ATOM 883 CA ALA A 58 7.286 13.898 2.917 1.00 0.00 C ATOM 884 C ALA A 58 6.836 13.499 1.596 1.00 0.00 C ATOM 885 O ALA A 58 5.636 13.446 1.333 1.00 0.00 O ATOM 886 CB ALA A 58 7.261 15.464 2.893 1.00 0.00 C ATOM 887 OXT ALA A 58 7.692 13.378 0.682 1.00 0.00 O ATOM 888 H ALA A 58 9.320 14.138 3.585 1.00 0.00 H ATOM 889 HA ALA A 58 6.658 13.407 3.660 1.00 0.00 H ATOM 890 HB1 ALA A 58 7.720 15.835 3.810 1.00 0.00 H ATOM 891 HB2 ALA A 58 7.761 15.829 1.996 1.00 0.00 H ATOM 892 HB3 ALA A 58 6.238 15.811 3.037 1.00 0.00 H TER 893 ALA A 58 CONECT 78 863 CONECT 206 590 CONECT 478 798 CONECT 590 206 CONECT 798 478 CONECT 863 78 END