REMARK 99 REMARK 99 MOE v2019.01 (Chemical Computing Group ULC) Sat Mar 04 17:01:00 2023 HELIX 1 1 PRO A 5 LYS A 10 1 Generated by MOE 6 SHEET 1 ILE A 14 PRO A 17 Generated by MOE SHEET 2 LYS A 25 ILE A 27 Generated by MOE SHEET 3 GLY A 28 GLY A 28 Generated by MOE SHEET 4 THR A 29 THR A 29 Generated by MOE SHEET 5 THR A 35 LYS A 39 Generated by MOE SSBOND 1 CYS A 8 CYS A 37 1555 1555 2.03 SSBOND 2 CYS A 15 CYS A 30 1555 1555 2.03 SSBOND 3 CYS A 20 CYS A 38 1555 1555 2.03 ATOM 1 N GLY A 1 -1.947 0.760 -12.160 1.00 78.95 N1+ ATOM 2 CA GLY A 1 -2.030 0.726 -10.684 1.00 78.95 C ATOM 3 C GLY A 1 -1.028 1.704 -10.107 1.00 78.95 C ATOM 4 O GLY A 1 -0.085 2.041 -10.811 1.00 78.95 O ATOM 5 H1 GLY A 1 -2.551 0.062 -12.570 1.00 78.95 H ATOM 6 H2 GLY A 1 -0.991 0.592 -12.439 1.00 78.95 H ATOM 7 H3 GLY A 1 -2.208 1.676 -12.496 1.00 78.95 H ATOM 8 HA2 GLY A 1 -3.032 0.998 -10.353 1.00 78.95 H ATOM 9 HA3 GLY A 1 -1.783 -0.272 -10.322 1.00 78.95 H ATOM 10 N ILE A 2 -1.232 2.174 -8.875 1.00 94.36 N ATOM 11 CA ILE A 2 -0.277 3.069 -8.197 1.00 94.36 C ATOM 12 C ILE A 2 0.989 2.278 -7.842 1.00 94.36 C ATOM 13 CB ILE A 2 -0.926 3.712 -6.950 1.00 94.36 C ATOM 14 O ILE A 2 0.868 1.163 -7.335 1.00 94.36 O ATOM 15 CG1 ILE A 2 -2.144 4.569 -7.371 1.00 94.36 C ATOM 16 CG2 ILE A 2 0.104 4.545 -6.174 1.00 94.36 C ATOM 17 CD1 ILE A 2 -2.865 5.266 -6.212 1.00 94.36 C ATOM 18 H ILE A 2 -2.013 1.834 -8.332 1.00 94.36 H ATOM 19 HA ILE A 2 0.009 3.868 -8.881 1.00 94.36 H ATOM 20 HB ILE A 2 -1.278 2.921 -6.289 1.00 94.36 H ATOM 21 HG12 ILE A 2 -2.877 3.927 -7.860 1.00 94.36 H ATOM 22 HG13 ILE A 2 -1.827 5.325 -8.089 1.00 94.36 H ATOM 23 HG21 ILE A 2 -0.363 4.980 -5.290 1.00 94.36 H ATOM 24 HG22 ILE A 2 0.924 3.925 -5.812 1.00 94.36 H ATOM 25 HG23 ILE A 2 0.505 5.339 -6.805 1.00 94.36 H ATOM 26 HD11 ILE A 2 -2.274 6.109 -5.853 1.00 94.36 H ATOM 27 HD12 ILE A 2 -3.026 4.561 -5.396 1.00 94.36 H ATOM 28 HD13 ILE A 2 -3.827 5.645 -6.557 1.00 94.36 H ATOM 29 N GLY A 3 2.168 2.836 -8.125 1.00 95.29 N ATOM 30 CA GLY A 3 3.458 2.165 -7.918 1.00 95.29 C ATOM 31 C GLY A 3 4.451 2.931 -7.046 1.00 95.29 C ATOM 32 O GLY A 3 5.543 2.432 -6.804 1.00 95.29 O ATOM 33 H GLY A 3 2.187 3.749 -8.556 1.00 95.29 H ATOM 34 HA2 GLY A 3 3.929 2.010 -8.888 1.00 95.29 H ATOM 35 HA3 GLY A 3 3.307 1.189 -7.458 1.00 95.29 H ATOM 36 N ASP A 4 4.093 4.123 -6.574 1.00 96.31 N ATOM 37 CA ASP A 4 4.982 5.022 -5.847 1.00 96.31 C ATOM 38 C ASP A 4 4.249 5.668 -4.652 1.00 96.31 C ATOM 39 CB ASP A 4 5.553 6.055 -6.831 1.00 96.31 C ATOM 40 O ASP A 4 3.014 5.787 -4.653 1.00 96.31 O ATOM 41 CG ASP A 4 4.519 7.124 -7.161 1.00 96.31 C ATOM 42 OD1 ASP A 4 4.492 8.138 -6.429 1.00 96.31 O ATOM 43 OD2 ASP A 4 3.678 6.894 -8.056 1.00 96.31 O1- ATOM 44 H ASP A 4 3.175 4.484 -6.788 1.00 96.31 H ATOM 45 HA ASP A 4 5.818 4.440 -5.457 1.00 96.31 H ATOM 46 HB2 ASP A 4 5.874 5.555 -7.745 1.00 96.31 H ATOM 47 HB3 ASP A 4 6.435 6.530 -6.401 1.00 96.31 H ATOM 48 N PRO A 5 4.984 6.073 -3.603 1.00 96.53 N ATOM 49 CA PRO A 5 4.371 6.565 -2.376 1.00 96.53 C ATOM 50 C PRO A 5 3.723 7.941 -2.567 1.00 96.53 C ATOM 51 CB PRO A 5 5.509 6.597 -1.352 1.00 96.53 C ATOM 52 O PRO A 5 2.719 8.234 -1.921 1.00 96.53 O ATOM 53 CG PRO A 5 6.768 6.801 -2.195 1.00 96.53 C ATOM 54 CD PRO A 5 6.439 6.131 -3.525 1.00 96.53 C ATOM 55 HA PRO A 5 3.603 5.870 -2.037 1.00 96.53 H ATOM 56 HB2 PRO A 5 5.575 5.633 -0.848 1.00 96.53 H ATOM 57 HB3 PRO A 5 5.381 7.393 -0.618 1.00 96.53 H ATOM 58 HG2 PRO A 5 6.928 7.867 -2.356 1.00 96.53 H ATOM 59 HG3 PRO A 5 7.643 6.353 -1.725 1.00 96.53 H ATOM 60 HD2 PRO A 5 6.854 6.735 -4.332 1.00 96.53 H ATOM 61 HD3 PRO A 5 6.869 5.130 -3.561 1.00 96.53 H ATOM 62 N VAL A 6 4.244 8.776 -3.472 1.00 97.35 N ATOM 63 CA VAL A 6 3.741 10.139 -3.690 1.00 97.35 C ATOM 64 C VAL A 6 2.351 10.088 -4.314 1.00 97.35 C ATOM 65 CB VAL A 6 4.717 10.966 -4.550 1.00 97.35 C ATOM 66 O VAL A 6 1.421 10.704 -3.795 1.00 97.35 O ATOM 67 CG1 VAL A 6 4.170 12.374 -4.828 1.00 97.35 C ATOM 68 CG2 VAL A 6 6.072 11.113 -3.845 1.00 97.35 C ATOM 69 H VAL A 6 4.943 8.427 -4.112 1.00 97.35 H ATOM 70 HA VAL A 6 3.639 10.631 -2.722 1.00 97.35 H ATOM 71 HB VAL A 6 4.880 10.475 -5.509 1.00 97.35 H ATOM 72 HG11 VAL A 6 3.272 12.306 -5.444 1.00 97.35 H ATOM 73 HG12 VAL A 6 4.917 12.950 -5.374 1.00 97.35 H ATOM 74 HG13 VAL A 6 3.940 12.875 -3.888 1.00 97.35 H ATOM 75 HG21 VAL A 6 6.744 11.715 -4.456 1.00 97.35 H ATOM 76 HG22 VAL A 6 6.532 10.134 -3.706 1.00 97.35 H ATOM 77 HG23 VAL A 6 5.944 11.591 -2.874 1.00 97.35 H ATOM 78 N THR A 7 2.174 9.312 -5.381 1.00 97.66 N ATOM 79 CA THR A 7 0.867 9.108 -6.018 1.00 97.66 C ATOM 80 C THR A 7 -0.105 8.406 -5.070 1.00 97.66 C ATOM 81 CB THR A 7 1.017 8.309 -7.316 1.00 97.66 C ATOM 82 O THR A 7 -1.281 8.774 -5.023 1.00 97.66 O ATOM 83 CG2 THR A 7 -0.290 8.211 -8.103 1.00 97.66 C ATOM 84 OG1 THR A 7 1.945 8.938 -8.160 1.00 97.66 O ATOM 85 H THR A 7 2.981 8.867 -5.794 1.00 97.66 H ATOM 86 HA THR A 7 0.446 10.080 -6.275 1.00 97.66 H ATOM 87 HB THR A 7 1.374 7.306 -7.081 1.00 97.66 H ATOM 88 HG21 THR A 7 -0.665 9.212 -8.319 1.00 97.66 H ATOM 89 HG22 THR A 7 -0.104 7.691 -9.042 1.00 97.66 H ATOM 90 HG23 THR A 7 -1.037 7.656 -7.535 1.00 97.66 H ATOM 91 HG1 THR A 7 2.694 8.339 -8.201 1.00 97.66 H ATOM 92 N CYS A 8 0.369 7.446 -4.262 1.00 98.02 N ATOM 93 CA CYS A 8 -0.462 6.792 -3.249 1.00 98.02 C ATOM 94 C CYS A 8 -1.054 7.802 -2.260 1.00 98.02 C ATOM 95 CB CYS A 8 0.344 5.721 -2.503 1.00 98.02 C ATOM 96 O CYS A 8 -2.277 7.883 -2.118 1.00 98.02 O ATOM 97 SG CYS A 8 -0.683 4.813 -1.321 1.00 98.02 S ATOM 98 H CYS A 8 1.335 7.167 -4.353 1.00 98.02 H ATOM 99 HA CYS A 8 -1.302 6.309 -3.748 1.00 98.02 H ATOM 100 HB2 CYS A 8 1.161 6.194 -1.958 1.00 98.02 H ATOM 101 HB3 CYS A 8 0.779 5.019 -3.214 1.00 98.02 H ATOM 102 N LEU A 9 -0.206 8.620 -1.637 1.00 96.52 N ATOM 103 CA LEU A 9 -0.634 9.616 -0.655 1.00 96.52 C ATOM 104 C LEU A 9 -1.512 10.703 -1.293 1.00 96.52 C ATOM 105 CB LEU A 9 0.612 10.212 0.020 1.00 96.52 C ATOM 106 O LEU A 9 -2.552 11.051 -0.737 1.00 96.52 O ATOM 107 CG LEU A 9 1.402 9.214 0.892 1.00 96.52 C ATOM 108 CD1 LEU A 9 2.719 9.857 1.325 1.00 96.52 C ATOM 109 CD2 LEU A 9 0.632 8.789 2.143 1.00 96.52 C ATOM 110 H LEU A 9 0.783 8.521 -1.812 1.00 96.52 H ATOM 111 HA LEU A 9 -1.248 9.128 0.102 1.00 96.52 H ATOM 112 HB2 LEU A 9 0.304 11.049 0.646 1.00 96.52 H ATOM 113 HB3 LEU A 9 1.271 10.603 -0.756 1.00 96.52 H ATOM 114 HG LEU A 9 1.631 8.312 0.324 1.00 96.52 H ATOM 115 HD11 LEU A 9 2.525 10.756 1.910 1.00 96.52 H ATOM 116 HD12 LEU A 9 3.304 10.119 0.443 1.00 96.52 H ATOM 117 HD13 LEU A 9 3.294 9.153 1.926 1.00 96.52 H ATOM 118 HD21 LEU A 9 -0.263 8.235 1.859 1.00 96.52 H ATOM 119 HD22 LEU A 9 1.258 8.144 2.758 1.00 96.52 H ATOM 120 HD23 LEU A 9 0.343 9.667 2.720 1.00 96.52 H ATOM 121 N LYS A 10 -1.171 11.172 -2.504 1.00 97.67 N ATOM 122 CA LYS A 10 -2.001 12.127 -3.265 1.00 97.67 C ATOM 123 C LYS A 10 -3.398 11.592 -3.578 1.00 97.67 C ATOM 124 CB LYS A 10 -1.307 12.523 -4.576 1.00 97.67 C ATOM 125 O LYS A 10 -4.337 12.373 -3.680 1.00 97.67 O ATOM 126 CG LYS A 10 -0.183 13.546 -4.364 1.00 97.67 C ATOM 127 CD LYS A 10 0.399 13.966 -5.720 1.00 97.67 C ATOM 128 CE LYS A 10 1.514 14.999 -5.523 1.00 97.67 C ATOM 129 NZ LYS A 10 2.025 15.505 -6.823 1.00 97.67 N1+ ATOM 130 H LYS A 10 -0.299 10.858 -2.905 1.00 97.67 H ATOM 131 HA LYS A 10 -2.159 13.020 -2.660 1.00 97.67 H ATOM 132 HB2 LYS A 10 -2.047 12.978 -5.234 1.00 97.67 H ATOM 133 HB3 LYS A 10 -0.918 11.634 -5.071 1.00 97.67 H ATOM 134 HG2 LYS A 10 0.604 13.122 -3.739 1.00 97.67 H ATOM 135 HG3 LYS A 10 -0.589 14.425 -3.863 1.00 97.67 H ATOM 136 HD2 LYS A 10 -0.397 14.400 -6.326 1.00 97.67 H ATOM 137 HD3 LYS A 10 0.797 13.088 -6.228 1.00 97.67 H ATOM 138 HE2 LYS A 10 1.123 15.825 -4.928 1.00 97.67 H ATOM 139 HE3 LYS A 10 2.320 14.532 -4.957 1.00 97.67 H ATOM 140 HZ1 LYS A 10 1.291 15.966 -7.340 1.00 97.67 H ATOM 141 HZ2 LYS A 10 2.773 16.168 -6.676 1.00 97.67 H ATOM 142 HZ3 LYS A 10 2.384 14.745 -7.384 1.00 97.67 H ATOM 143 N SER A 11 -3.561 10.273 -3.702 1.00 95.11 N ATOM 144 CA SER A 11 -4.873 9.652 -3.924 1.00 95.11 C ATOM 145 C SER A 11 -5.771 9.626 -2.674 1.00 95.11 C ATOM 146 CB SER A 11 -4.707 8.256 -4.540 1.00 95.11 C ATOM 147 O SER A 11 -6.902 9.135 -2.754 1.00 95.11 O ATOM 148 OG SER A 11 -4.410 7.271 -3.570 1.00 95.11 O ATOM 149 H SER A 11 -2.738 9.690 -3.665 1.00 95.11 H ATOM 150 HA SER A 11 -5.396 10.260 -4.662 1.00 95.11 H ATOM 151 HB2 SER A 11 -3.922 8.277 -5.296 1.00 95.11 H ATOM 152 HB3 SER A 11 -5.640 7.980 -5.032 1.00 95.11 H ATOM 153 HG SER A 11 -3.599 7.508 -3.114 1.00 95.11 H ATOM 154 N GLY A 12 -5.290 10.121 -1.525 1.00 96.35 N ATOM 155 CA GLY A 12 -5.962 10.004 -0.226 1.00 96.35 C ATOM 156 C GLY A 12 -5.875 8.596 0.370 1.00 96.35 C ATOM 157 O GLY A 12 -6.688 8.225 1.216 1.00 96.35 O ATOM 158 H GLY A 12 -4.374 10.546 -1.525 1.00 96.35 H ATOM 159 HA2 GLY A 12 -5.487 10.693 0.472 1.00 96.35 H ATOM 160 HA3 GLY A 12 -7.012 10.278 -0.325 1.00 96.35 H ATOM 161 N ALA A 13 -4.935 7.783 -0.114 1.00 97.66 N ATOM 162 CA ALA A 13 -4.638 6.460 0.413 1.00 97.66 C ATOM 163 C ALA A 13 -3.457 6.520 1.395 1.00 97.66 C ATOM 164 CB ALA A 13 -4.385 5.527 -0.775 1.00 97.66 C ATOM 165 O ALA A 13 -2.793 7.546 1.537 1.00 97.66 O ATOM 166 H ALA A 13 -4.265 8.173 -0.761 1.00 97.66 H ATOM 167 HA ALA A 13 -5.500 6.080 0.960 1.00 97.66 H ATOM 168 HB1 ALA A 13 -4.220 4.503 -0.440 1.00 97.66 H ATOM 169 HB2 ALA A 13 -3.497 5.854 -1.316 1.00 97.66 H ATOM 170 HB3 ALA A 13 -5.238 5.556 -1.452 1.00 97.66 H ATOM 171 N ILE A 14 -3.192 5.403 2.067 1.00 97.40 N ATOM 172 CA ILE A 14 -2.054 5.237 2.974 1.00 97.40 C ATOM 173 C ILE A 14 -1.116 4.146 2.464 1.00 97.40 C ATOM 174 CB ILE A 14 -2.516 4.968 4.425 1.00 97.40 C ATOM 175 O ILE A 14 -1.552 3.177 1.839 1.00 97.40 O ATOM 176 CG1 ILE A 14 -3.323 3.655 4.557 1.00 97.40 C ATOM 177 CG2 ILE A 14 -3.309 6.178 4.951 1.00 97.40 C ATOM 178 CD1 ILE A 14 -3.600 3.229 6.002 1.00 97.40 C ATOM 179 H ILE A 14 -3.766 4.592 1.888 1.00 97.40 H ATOM 180 HA ILE A 14 -1.476 6.161 2.989 1.00 97.40 H ATOM 181 HB ILE A 14 -1.619 4.872 5.037 1.00 97.40 H ATOM 182 HG12 ILE A 14 -2.762 2.842 4.097 1.00 97.40 H ATOM 183 HG13 ILE A 14 -4.276 3.757 4.037 1.00 97.40 H ATOM 184 HG21 ILE A 14 -3.477 6.084 6.024 1.00 97.40 H ATOM 185 HG22 ILE A 14 -4.268 6.261 4.441 1.00 97.40 H ATOM 186 HG23 ILE A 14 -2.741 7.093 4.779 1.00 97.40 H ATOM 187 HD11 ILE A 14 -2.661 3.138 6.547 1.00 97.40 H ATOM 188 HD12 ILE A 14 -4.242 3.957 6.498 1.00 97.40 H ATOM 189 HD13 ILE A 14 -4.105 2.263 6.001 1.00 97.40 H ATOM 190 N CYS A 15 0.168 4.272 2.785 1.00 97.90 N ATOM 191 CA CYS A 15 1.135 3.197 2.608 1.00 97.90 C ATOM 192 C CYS A 15 1.146 2.307 3.848 1.00 97.90 C ATOM 193 CB CYS A 15 2.509 3.801 2.318 1.00 97.90 C ATOM 194 O CYS A 15 1.359 2.800 4.953 1.00 97.90 O ATOM 195 SG CYS A 15 2.540 4.626 0.715 1.00 97.90 S ATOM 196 H CYS A 15 0.465 5.086 3.302 1.00 97.90 H ATOM 197 HA CYS A 15 0.846 2.588 1.752 1.00 97.90 H ATOM 198 HB2 CYS A 15 3.260 3.011 2.317 1.00 97.90 H ATOM 199 HB3 CYS A 15 2.765 4.516 3.100 1.00 97.90 H ATOM 200 N HIS A 16 0.925 1.005 3.671 1.00 97.80 N ATOM 201 CA HIS A 16 0.916 0.044 4.771 1.00 97.80 C ATOM 202 C HIS A 16 1.828 -1.153 4.465 1.00 97.80 C ATOM 203 CB HIS A 16 -0.525 -0.389 5.070 1.00 97.80 C ATOM 204 O HIS A 16 1.811 -1.658 3.335 1.00 97.80 O ATOM 205 CG HIS A 16 -0.674 -0.976 6.448 1.00 97.80 C ATOM 206 CD2 HIS A 16 -1.112 -0.325 7.570 1.00 97.80 C ATOM 207 ND1 HIS A 16 -0.360 -2.259 6.830 1.00 97.80 N ATOM 208 CE1 HIS A 16 -0.624 -2.390 8.137 1.00 97.80 C ATOM 209 NE2 HIS A 16 -1.098 -1.236 8.631 1.00 97.80 N ATOM 210 H HIS A 16 0.730 0.667 2.740 1.00 97.80 H ATOM 211 HA HIS A 16 1.288 0.546 5.664 1.00 97.80 H ATOM 212 HB2 HIS A 16 -0.845 -1.123 4.330 1.00 97.80 H ATOM 213 HB3 HIS A 16 -1.183 0.477 4.998 1.00 97.80 H ATOM 214 HD1 HIS A 16 -0.076 -3.016 6.225 1.00 97.80 H ATOM 215 HD2 HIS A 16 -1.418 0.709 7.624 1.00 97.80 H ATOM 216 HE1 HIS A 16 -0.497 -3.300 8.705 1.00 97.80 H ATOM 217 N PRO A 17 2.641 -1.623 5.429 1.00 96.63 N ATOM 218 CA PRO A 17 3.482 -2.795 5.228 1.00 96.63 C ATOM 219 C PRO A 17 2.644 -4.077 5.152 1.00 96.63 C ATOM 220 CB PRO A 17 4.454 -2.798 6.413 1.00 96.63 C ATOM 221 O PRO A 17 1.634 -4.220 5.842 1.00 96.63 O ATOM 222 CG PRO A 17 3.649 -2.132 7.528 1.00 96.63 C ATOM 223 CD PRO A 17 2.840 -1.082 6.771 1.00 96.63 C ATOM 224 HA PRO A 17 4.051 -2.690 4.305 1.00 96.63 H ATOM 225 HB2 PRO A 17 4.775 -3.802 6.690 1.00 96.63 H ATOM 226 HB3 PRO A 17 5.318 -2.180 6.173 1.00 96.63 H ATOM 227 HG2 PRO A 17 2.976 -2.858 7.983 1.00 96.63 H ATOM 228 HG3 PRO A 17 4.294 -1.680 8.280 1.00 96.63 H ATOM 229 HD2 PRO A 17 3.412 -0.156 6.706 1.00 96.63 H ATOM 230 HD3 PRO A 17 1.898 -0.899 7.289 1.00 96.63 H ATOM 231 N VAL A 18 3.113 -5.028 4.341 1.00 94.86 N ATOM 232 CA VAL A 18 2.608 -6.403 4.174 1.00 94.86 C ATOM 233 C VAL A 18 1.201 -6.491 3.566 1.00 94.86 C ATOM 234 CB VAL A 18 2.751 -7.223 5.479 1.00 94.86 C ATOM 235 O VAL A 18 1.041 -7.013 2.461 1.00 94.86 O ATOM 236 CG1 VAL A 18 2.559 -8.719 5.207 1.00 94.86 C ATOM 237 CG2 VAL A 18 4.134 -7.066 6.132 1.00 94.86 C ATOM 238 H VAL A 18 3.889 -4.778 3.745 1.00 94.86 H ATOM 239 HA VAL A 18 3.268 -6.877 3.447 1.00 94.86 H ATOM 240 HB VAL A 18 1.995 -6.901 6.195 1.00 94.86 H ATOM 241 HG11 VAL A 18 2.530 -9.264 6.150 1.00 94.86 H ATOM 242 HG12 VAL A 18 3.386 -9.098 4.606 1.00 94.86 H ATOM 243 HG13 VAL A 18 1.632 -8.903 4.665 1.00 94.86 H ATOM 244 HG21 VAL A 18 4.224 -7.747 6.978 1.00 94.86 H ATOM 245 HG22 VAL A 18 4.922 -7.289 5.411 1.00 94.86 H ATOM 246 HG23 VAL A 18 4.263 -6.053 6.512 1.00 94.86 H ATOM 247 N PHE A 19 0.181 -5.973 4.249 1.00 96.30 N ATOM 248 CA PHE A 19 -1.229 -6.049 3.859 1.00 96.30 C ATOM 249 C PHE A 19 -1.990 -4.771 4.225 1.00 96.30 C ATOM 250 CB PHE A 19 -1.880 -7.284 4.506 1.00 96.30 C ATOM 251 O PHE A 19 -1.549 -3.992 5.061 1.00 96.30 O ATOM 252 CG PHE A 19 -1.794 -7.344 6.024 1.00 96.30 C ATOM 253 CD1 PHE A 19 -0.772 -8.085 6.643 1.00 96.30 C ATOM 254 CD2 PHE A 19 -2.737 -6.675 6.826 1.00 96.30 C ATOM 255 CE1 PHE A 19 -0.673 -8.135 8.044 1.00 96.30 C ATOM 256 CE2 PHE A 19 -2.646 -6.728 8.228 1.00 96.30 C ATOM 257 CZ PHE A 19 -1.610 -7.455 8.838 1.00 96.30 C ATOM 258 H PHE A 19 0.398 -5.479 5.103 1.00 96.30 H ATOM 259 HA PHE A 19 -1.292 -6.163 2.777 1.00 96.30 H ATOM 260 HB2 PHE A 19 -2.930 -7.326 4.216 1.00 96.30 H ATOM 261 HB3 PHE A 19 -1.404 -8.174 4.096 1.00 96.30 H ATOM 262 HD1 PHE A 19 -0.062 -8.633 6.042 1.00 96.30 H ATOM 263 HD2 PHE A 19 -3.535 -6.113 6.365 1.00 96.30 H ATOM 264 HE1 PHE A 19 0.120 -8.701 8.510 1.00 96.30 H ATOM 265 HE2 PHE A 19 -3.366 -6.203 8.839 1.00 96.30 H ATOM 266 HZ PHE A 19 -1.531 -7.494 9.915 1.00 96.30 H ATOM 267 N CYS A 20 -3.159 -4.561 3.618 1.00 97.13 N ATOM 268 CA CYS A 20 -4.038 -3.453 3.982 1.00 97.13 C ATOM 269 C CYS A 20 -4.885 -3.786 5.220 1.00 97.13 C ATOM 270 CB CYS A 20 -4.926 -3.082 2.790 1.00 97.13 C ATOM 271 O CYS A 20 -5.363 -4.917 5.337 1.00 97.13 O ATOM 272 SG CYS A 20 -4.019 -2.441 1.363 1.00 97.13 S ATOM 273 H CYS A 20 -3.509 -5.257 2.975 1.00 97.13 H ATOM 274 HA CYS A 20 -3.407 -2.595 4.215 1.00 97.13 H ATOM 275 HB2 CYS A 20 -5.504 -3.955 2.486 1.00 97.13 H ATOM 276 HB3 CYS A 20 -5.633 -2.317 3.110 1.00 97.13 H ATOM 277 N PRO A 21 -5.151 -2.821 6.122 1.00 96.65 N ATOM 278 CA PRO A 21 -6.069 -3.050 7.236 1.00 96.65 C ATOM 279 C PRO A 21 -7.464 -3.451 6.729 1.00 96.65 C ATOM 280 CB PRO A 21 -6.092 -1.743 8.038 1.00 96.65 C ATOM 281 O PRO A 21 -7.877 -3.004 5.664 1.00 96.65 O ATOM 282 CG PRO A 21 -4.843 -0.983 7.585 1.00 96.65 C ATOM 283 CD PRO A 21 -4.600 -1.474 6.162 1.00 96.65 C ATOM 284 HA PRO A 21 -5.662 -3.847 7.858 1.00 96.65 H ATOM 285 HB2 PRO A 21 -6.062 -1.939 9.110 1.00 96.65 H ATOM 286 HB3 PRO A 21 -6.982 -1.162 7.798 1.00 96.65 H ATOM 287 HG2 PRO A 21 -4.000 -1.273 8.212 1.00 96.65 H ATOM 288 HG3 PRO A 21 -4.988 0.097 7.619 1.00 96.65 H ATOM 289 HD2 PRO A 21 -3.529 -1.467 5.960 1.00 96.65 H ATOM 290 HD3 PRO A 21 -5.127 -0.837 5.452 1.00 96.65 H ATOM 291 N ARG A 22 -8.234 -4.231 7.507 1.00 94.93 N ATOM 292 CA ARG A 22 -9.514 -4.857 7.075 1.00 94.93 C ATOM 293 C ARG A 22 -10.518 -3.933 6.366 1.00 94.93 C ATOM 294 CB ARG A 22 -10.229 -5.496 8.283 1.00 94.93 C ATOM 295 O ARG A 22 -11.300 -4.405 5.553 1.00 94.93 O ATOM 296 CG ARG A 22 -9.627 -6.836 8.733 1.00 94.93 C ATOM 297 CD ARG A 22 -10.491 -7.447 9.848 1.00 94.93 C ATOM 298 NE ARG A 22 -10.002 -8.775 10.268 1.00 94.93 N ATOM 299 NH1 ARG A 22 -11.111 -8.913 12.284 1.00 94.93 N ATOM 300 NH2 ARG A 22 -9.813 -10.596 11.627 1.00 94.93 N1+ ATOM 301 CZ ARG A 22 -10.310 -9.417 11.386 1.00 94.93 C ATOM 302 H ARG A 22 -7.811 -4.569 8.360 1.00 94.93 H ATOM 303 HA ARG A 22 -9.292 -5.631 6.342 1.00 94.93 H ATOM 304 HB2 ARG A 22 -10.233 -4.796 9.119 1.00 94.93 H ATOM 305 HB3 ARG A 22 -11.265 -5.686 8.006 1.00 94.93 H ATOM 306 HG2 ARG A 22 -9.602 -7.520 7.884 1.00 94.93 H ATOM 307 HG3 ARG A 22 -8.612 -6.682 9.097 1.00 94.93 H ATOM 308 HD2 ARG A 22 -11.515 -7.547 9.488 1.00 94.93 H ATOM 309 HD3 ARG A 22 -10.483 -6.767 10.700 1.00 94.93 H ATOM 310 HE ARG A 22 -9.391 -9.261 9.628 1.00 94.93 H ATOM 311 HH11 ARG A 22 -11.543 -8.015 12.120 1.00 94.93 H ATOM 312 HH12 ARG A 22 -11.327 -9.435 13.121 1.00 94.93 H ATOM 313 HH21 ARG A 22 -10.052 -11.090 12.475 1.00 94.93 H ATOM 314 HH22 ARG A 22 -9.196 -11.046 10.965 1.00 94.93 H ATOM 315 N ARG A 23 -10.537 -2.635 6.690 1.00 95.98 N ATOM 316 CA ARG A 23 -11.459 -1.639 6.101 1.00 95.98 C ATOM 317 C ARG A 23 -10.892 -0.911 4.876 1.00 95.98 C ATOM 318 CB ARG A 23 -11.928 -0.644 7.175 1.00 95.98 C ATOM 319 O ARG A 23 -11.493 0.053 4.414 1.00 95.98 O ATOM 320 CG ARG A 23 -12.726 -1.318 8.299 1.00 95.98 C ATOM 321 CD ARG A 23 -13.249 -0.252 9.268 1.00 95.98 C ATOM 322 NE ARG A 23 -13.982 -0.849 10.400 1.00 95.98 N ATOM 323 NH1 ARG A 23 -14.540 1.110 11.470 1.00 95.98 N ATOM 324 NH2 ARG A 23 -15.162 -0.838 12.351 1.00 95.98 N1+ ATOM 325 CZ ARG A 23 -14.553 -0.193 11.397 1.00 95.98 C ATOM 326 H ARG A 23 -9.811 -2.322 7.317 1.00 95.98 H ATOM 327 HA ARG A 23 -12.337 -2.158 5.719 1.00 95.98 H ATOM 328 HB2 ARG A 23 -12.571 0.101 6.708 1.00 95.98 H ATOM 329 HB3 ARG A 23 -11.061 -0.133 7.594 1.00 95.98 H ATOM 330 HG2 ARG A 23 -12.088 -2.016 8.841 1.00 95.98 H ATOM 331 HG3 ARG A 23 -13.568 -1.861 7.870 1.00 95.98 H ATOM 332 HD2 ARG A 23 -12.404 0.322 9.649 1.00 95.98 H ATOM 333 HD3 ARG A 23 -13.913 0.418 8.722 1.00 95.98 H ATOM 334 HE ARG A 23 -14.095 -1.853 10.400 1.00 95.98 H ATOM 335 HH11 ARG A 23 -15.008 1.581 12.231 1.00 95.98 H ATOM 336 HH12 ARG A 23 -14.139 1.645 10.713 1.00 95.98 H ATOM 337 HH21 ARG A 23 -15.245 -1.845 12.333 1.00 95.98 H ATOM 338 HH22 ARG A 23 -15.612 -0.331 13.099 1.00 95.98 H ATOM 339 N TYR A 24 -9.730 -1.325 4.389 1.00 97.60 N ATOM 340 CA TYR A 24 -9.049 -0.731 3.249 1.00 97.60 C ATOM 341 C TYR A 24 -8.944 -1.755 2.126 1.00 97.60 C ATOM 342 CB TYR A 24 -7.654 -0.234 3.644 1.00 97.60 C ATOM 343 O TYR A 24 -8.745 -2.946 2.358 1.00 97.60 O ATOM 344 CG TYR A 24 -7.618 0.941 4.602 1.00 97.60 C ATOM 345 CD1 TYR A 24 -7.225 2.212 4.147 1.00 97.60 C ATOM 346 CD2 TYR A 24 -7.926 0.755 5.961 1.00 97.60 C ATOM 347 CE1 TYR A 24 -7.152 3.296 5.038 1.00 97.60 C ATOM 348 CE2 TYR A 24 -7.833 1.829 6.867 1.00 97.60 C ATOM 349 OH TYR A 24 -7.360 4.147 7.265 1.00 97.60 O ATOM 350 CZ TYR A 24 -7.450 3.104 6.400 1.00 97.60 C ATOM 351 H TYR A 24 -9.303 -2.153 4.780 1.00 97.60 H ATOM 352 HA TYR A 24 -9.619 0.121 2.878 1.00 97.60 H ATOM 353 HB2 TYR A 24 -7.139 0.054 2.728 1.00 97.60 H ATOM 354 HB3 TYR A 24 -7.097 -1.057 4.091 1.00 97.60 H ATOM 355 HD1 TYR A 24 -6.955 2.361 3.111 1.00 97.60 H ATOM 356 HD2 TYR A 24 -8.220 -0.226 6.303 1.00 97.60 H ATOM 357 HE1 TYR A 24 -6.831 4.268 4.694 1.00 97.60 H ATOM 358 HE2 TYR A 24 -8.044 1.675 7.915 1.00 97.60 H ATOM 359 HH TYR A 24 -7.229 3.854 8.170 1.00 97.60 H ATOM 360 N LYS A 25 -9.023 -1.266 0.893 1.00 96.48 N ATOM 361 CA LYS A 25 -8.732 -2.032 -0.314 1.00 96.48 C ATOM 362 C LYS A 25 -7.341 -1.673 -0.813 1.00 96.48 C ATOM 363 CB LYS A 25 -9.813 -1.771 -1.370 1.00 96.48 C ATOM 364 O LYS A 25 -6.942 -0.507 -0.783 1.00 96.48 O ATOM 365 CG LYS A 25 -11.172 -2.346 -0.934 1.00 96.48 C ATOM 366 CD LYS A 25 -12.228 -2.142 -2.028 1.00 96.48 C ATOM 367 CE LYS A 25 -13.551 -2.804 -1.621 1.00 96.48 C ATOM 368 NZ LYS A 25 -14.603 -2.599 -2.652 1.00 96.48 N1+ ATOM 369 H LYS A 25 -9.166 -0.272 0.788 1.00 96.48 H ATOM 370 HA LYS A 25 -8.733 -3.096 -0.078 1.00 96.48 H ATOM 371 HB2 LYS A 25 -9.905 -0.699 -1.543 1.00 96.48 H ATOM 372 HB3 LYS A 25 -9.513 -2.246 -2.304 1.00 96.48 H ATOM 373 HG2 LYS A 25 -11.509 -1.854 -0.021 1.00 96.48 H ATOM 374 HG3 LYS A 25 -11.061 -3.413 -0.741 1.00 96.48 H ATOM 375 HD2 LYS A 25 -11.872 -2.583 -2.959 1.00 96.48 H ATOM 376 HD3 LYS A 25 -12.382 -1.073 -2.176 1.00 96.48 H ATOM 377 HE2 LYS A 25 -13.875 -2.381 -0.670 1.00 96.48 H ATOM 378 HE3 LYS A 25 -13.376 -3.870 -1.472 1.00 96.48 H ATOM 379 HZ1 LYS A 25 -14.324 -2.995 -3.538 1.00 96.48 H ATOM 380 HZ2 LYS A 25 -15.471 -3.034 -2.372 1.00 96.48 H ATOM 381 HZ3 LYS A 25 -14.782 -1.615 -2.788 1.00 96.48 H ATOM 382 N GLN A 26 -6.607 -2.674 -1.286 1.00 96.36 N ATOM 383 CA GLN A 26 -5.351 -2.435 -1.982 1.00 96.36 C ATOM 384 C GLN A 26 -5.649 -1.859 -3.371 1.00 96.36 C ATOM 385 CB GLN A 26 -4.541 -3.735 -2.067 1.00 96.36 C ATOM 386 O GLN A 26 -6.388 -2.464 -4.142 1.00 96.36 O ATOM 387 CG GLN A 26 -3.161 -3.475 -2.687 1.00 96.36 C ATOM 388 CD GLN A 26 -2.362 -4.748 -2.927 1.00 96.36 C ATOM 389 NE2 GLN A 26 -1.390 -4.699 -3.811 1.00 96.36 N ATOM 390 OE1 GLN A 26 -2.566 -5.795 -2.339 1.00 96.36 O ATOM 391 H GLN A 26 -6.999 -3.605 -1.309 1.00 96.36 H ATOM 392 HA GLN A 26 -4.768 -1.707 -1.417 1.00 96.36 H ATOM 393 HB2 GLN A 26 -5.081 -4.459 -2.676 1.00 96.36 H ATOM 394 HB3 GLN A 26 -4.409 -4.150 -1.067 1.00 96.36 H ATOM 395 HG2 GLN A 26 -2.586 -2.810 -2.042 1.00 96.36 H ATOM 396 HG3 GLN A 26 -3.283 -2.984 -3.653 1.00 96.36 H ATOM 397 HE21 GLN A 26 -1.072 -5.593 -4.158 1.00 96.36 H ATOM 398 HE22 GLN A 26 -1.201 -3.830 -4.290 1.00 96.36 H ATOM 399 N ILE A 27 -5.042 -0.718 -3.695 1.00 96.66 N ATOM 400 CA ILE A 27 -5.156 -0.061 -5.011 1.00 96.66 C ATOM 401 C ILE A 27 -3.809 0.038 -5.750 1.00 96.66 C ATOM 402 CB ILE A 27 -5.845 1.314 -4.871 1.00 96.66 C ATOM 403 O ILE A 27 -3.744 0.472 -6.902 1.00 96.66 O ATOM 404 CG1 ILE A 27 -5.021 2.292 -4.005 1.00 96.66 C ATOM 405 CG2 ILE A 27 -7.272 1.141 -4.314 1.00 96.66 C ATOM 406 CD1 ILE A 27 -5.488 3.743 -4.152 1.00 96.66 C ATOM 407 H ILE A 27 -4.506 -0.253 -2.977 1.00 96.66 H ATOM 408 HA ILE A 27 -5.792 -0.668 -5.655 1.00 96.66 H ATOM 409 HB ILE A 27 -5.932 1.734 -5.873 1.00 96.66 H ATOM 410 HG12 ILE A 27 -3.974 2.257 -4.306 1.00 96.66 H ATOM 411 HG13 ILE A 27 -5.082 2.004 -2.955 1.00 96.66 H ATOM 412 HG21 ILE A 27 -7.244 0.858 -3.262 1.00 96.66 H ATOM 413 HG22 ILE A 27 -7.832 2.071 -4.417 1.00 96.66 H ATOM 414 HG23 ILE A 27 -7.795 0.367 -4.876 1.00 96.66 H ATOM 415 HD11 ILE A 27 -5.431 4.047 -5.197 1.00 96.66 H ATOM 416 HD12 ILE A 27 -6.517 3.852 -3.807 1.00 96.66 H ATOM 417 HD13 ILE A 27 -4.846 4.392 -3.557 1.00 96.66 H ATOM 418 N GLY A 28 -2.719 -0.364 -5.092 1.00 96.92 N ATOM 419 CA GLY A 28 -1.370 -0.324 -5.647 1.00 96.92 C ATOM 420 C GLY A 28 -0.293 -0.694 -4.629 1.00 96.92 C ATOM 421 O GLY A 28 -0.562 -1.388 -3.644 1.00 96.92 O ATOM 422 H GLY A 28 -2.826 -0.685 -4.140 1.00 96.92 H ATOM 423 HA2 GLY A 28 -1.173 0.687 -6.003 1.00 96.92 H ATOM 424 HA3 GLY A 28 -1.294 -1.002 -6.498 1.00 96.92 H ATOM 425 N THR A 29 0.919 -0.204 -4.858 1.00 97.55 N ATOM 426 CA THR A 29 2.091 -0.301 -3.978 1.00 97.55 C ATOM 427 C THR A 29 2.675 1.090 -3.735 1.00 97.55 C ATOM 428 CB THR A 29 3.164 -1.234 -4.568 1.00 97.55 C ATOM 429 O THR A 29 2.271 2.060 -4.375 1.00 97.55 O ATOM 430 CG2 THR A 29 2.627 -2.642 -4.830 1.00 97.55 C ATOM 431 OG1 THR A 29 3.633 -0.721 -5.788 1.00 97.55 O ATOM 432 H THR A 29 1.059 0.344 -5.695 1.00 97.55 H ATOM 433 HA THR A 29 1.801 -0.705 -3.008 1.00 97.55 H ATOM 434 HB THR A 29 3.998 -1.303 -3.869 1.00 97.55 H ATOM 435 HG21 THR A 29 1.885 -2.622 -5.628 1.00 97.55 H ATOM 436 HG22 THR A 29 3.451 -3.291 -5.126 1.00 97.55 H ATOM 437 HG23 THR A 29 2.176 -3.034 -3.918 1.00 97.55 H ATOM 438 HG1 THR A 29 4.392 -1.233 -6.076 1.00 97.55 H ATOM 439 N CYS A 30 3.607 1.198 -2.789 1.00 97.07 N ATOM 440 CA CYS A 30 4.278 2.458 -2.463 1.00 97.07 C ATOM 441 C CYS A 30 5.745 2.480 -2.908 1.00 97.07 C ATOM 442 CB CYS A 30 4.095 2.751 -0.976 1.00 97.07 C ATOM 443 O CYS A 30 6.568 3.133 -2.276 1.00 97.07 O ATOM 444 SG CYS A 30 2.373 3.049 -0.545 1.00 97.07 S ATOM 445 H CYS A 30 3.895 0.377 -2.276 1.00 97.07 H ATOM 446 HA CYS A 30 3.799 3.275 -3.004 1.00 97.07 H ATOM 447 HB2 CYS A 30 4.492 1.938 -0.368 1.00 97.07 H ATOM 448 HB3 CYS A 30 4.663 3.648 -0.730 1.00 97.07 H ATOM 449 N GLY A 31 6.098 1.717 -3.945 1.00 92.42 N ATOM 450 CA GLY A 31 7.463 1.626 -4.481 1.00 92.42 C ATOM 451 C GLY A 31 8.453 0.835 -3.621 1.00 92.42 C ATOM 452 O GLY A 31 9.458 0.360 -4.138 1.00 92.42 O ATOM 453 H GLY A 31 5.366 1.295 -4.497 1.00 92.42 H ATOM 454 HA2 GLY A 31 7.430 1.163 -5.467 1.00 92.42 H ATOM 455 HA3 GLY A 31 7.861 2.634 -4.602 1.00 92.42 H ATOM 456 N LEU A 32 8.162 0.626 -2.335 1.00 91.27 N ATOM 457 CA LEU A 32 8.986 -0.192 -1.448 1.00 91.27 C ATOM 458 C LEU A 32 8.519 -1.659 -1.454 1.00 91.27 C ATOM 459 CB LEU A 32 8.988 0.406 -0.034 1.00 91.27 C ATOM 460 O LEU A 32 7.307 -1.908 -1.372 1.00 91.27 O ATOM 461 CG LEU A 32 9.612 1.808 0.073 1.00 91.27 C ATOM 462 CD1 LEU A 32 9.447 2.315 1.505 1.00 91.27 C ATOM 463 CD2 LEU A 32 11.100 1.812 -0.279 1.00 91.27 C ATOM 464 H LEU A 32 7.369 1.114 -1.945 1.00 91.27 H ATOM 465 HA LEU A 32 10.011 -0.151 -1.816 1.00 91.27 H ATOM 466 HB2 LEU A 32 7.955 0.474 0.308 1.00 91.27 H ATOM 467 HB3 LEU A 32 9.523 -0.270 0.633 1.00 91.27 H ATOM 468 HG LEU A 32 9.089 2.496 -0.592 1.00 91.27 H ATOM 469 HD11 LEU A 32 8.389 2.373 1.759 1.00 91.27 H ATOM 470 HD12 LEU A 32 9.880 3.311 1.592 1.00 91.27 H ATOM 471 HD13 LEU A 32 9.954 1.646 2.201 1.00 91.27 H ATOM 472 HD21 LEU A 32 11.639 1.085 0.330 1.00 91.27 H ATOM 473 HD22 LEU A 32 11.515 2.803 -0.098 1.00 91.27 H ATOM 474 HD23 LEU A 32 11.240 1.584 -1.336 1.00 91.27 H ATOM 475 N PRO A 33 9.441 -2.641 -1.499 1.00 92.74 N ATOM 476 CA PRO A 33 9.094 -4.058 -1.429 1.00 92.74 C ATOM 477 C PRO A 33 8.189 -4.372 -0.233 1.00 92.74 C ATOM 478 CB PRO A 33 10.423 -4.813 -1.350 1.00 92.74 C ATOM 479 O PRO A 33 8.412 -3.904 0.880 1.00 92.74 O ATOM 480 CG PRO A 33 11.402 -3.871 -2.046 1.00 92.74 C ATOM 481 CD PRO A 33 10.881 -2.488 -1.665 1.00 92.74 C ATOM 482 HA PRO A 33 8.588 -4.328 -2.356 1.00 92.74 H ATOM 483 HB2 PRO A 33 10.726 -4.937 -0.310 1.00 92.74 H ATOM 484 HB3 PRO A 33 10.370 -5.781 -1.849 1.00 92.74 H ATOM 485 HG2 PRO A 33 12.426 -4.025 -1.708 1.00 92.74 H ATOM 486 HG3 PRO A 33 11.331 -4.003 -3.126 1.00 92.74 H ATOM 487 HD2 PRO A 33 11.326 -2.170 -0.722 1.00 92.74 H ATOM 488 HD3 PRO A 33 11.125 -1.782 -2.459 1.00 92.74 H ATOM 489 N GLY A 34 7.123 -5.136 -0.473 1.00 93.13 N ATOM 490 CA GLY A 34 6.159 -5.516 0.565 1.00 93.13 C ATOM 491 C GLY A 34 5.197 -4.409 1.014 1.00 93.13 C ATOM 492 O GLY A 34 4.253 -4.710 1.740 1.00 93.13 O ATOM 493 H GLY A 34 6.998 -5.494 -1.409 1.00 93.13 H ATOM 494 HA2 GLY A 34 6.710 -5.846 1.446 1.00 93.13 H ATOM 495 HA3 GLY A 34 5.565 -6.357 0.208 1.00 93.13 H ATOM 496 N THR A 35 5.357 -3.158 0.571 1.00 96.72 N ATOM 497 CA THR A 35 4.409 -2.082 0.904 1.00 96.72 C ATOM 498 C THR A 35 3.232 -2.037 -0.058 1.00 96.72 C ATOM 499 CB THR A 35 5.050 -0.697 1.001 1.00 96.72 C ATOM 500 O THR A 35 3.358 -2.236 -1.271 1.00 96.72 O ATOM 501 CG2 THR A 35 6.171 -0.667 2.037 1.00 96.72 C ATOM 502 OG1 THR A 35 5.525 -0.274 -0.256 1.00 96.72 O ATOM 503 H THR A 35 6.154 -2.943 -0.011 1.00 96.72 H ATOM 504 HA THR A 35 4.003 -2.290 1.894 1.00 96.72 H ATOM 505 HB THR A 35 4.282 0.005 1.324 1.00 96.72 H ATOM 506 HG21 THR A 35 6.998 -1.306 1.729 1.00 96.72 H ATOM 507 HG22 THR A 35 5.795 -1.012 3.001 1.00 96.72 H ATOM 508 HG23 THR A 35 6.529 0.356 2.153 1.00 96.72 H ATOM 509 HG1 THR A 35 6.179 -0.902 -0.570 1.00 96.72 H ATOM 510 N LYS A 36 2.056 -1.765 0.496 1.00 97.65 N ATOM 511 CA LYS A 36 0.787 -1.706 -0.222 1.00 97.65 C ATOM 512 C LYS A 36 0.225 -0.297 -0.128 1.00 97.65 C ATOM 513 CB LYS A 36 -0.180 -2.748 0.363 1.00 97.65 C ATOM 514 O LYS A 36 0.291 0.328 0.927 1.00 97.65 O ATOM 515 CG LYS A 36 0.383 -4.180 0.439 1.00 97.65 C ATOM 516 CD LYS A 36 0.819 -4.746 -0.918 1.00 97.65 C ATOM 517 CE LYS A 36 1.328 -6.177 -0.734 1.00 97.65 C ATOM 518 NZ LYS A 36 1.641 -6.817 -2.036 1.00 97.65 N1+ ATOM 519 H LYS A 36 2.021 -1.627 1.496 1.00 97.65 H ATOM 520 HA LYS A 36 0.943 -1.929 -1.278 1.00 97.65 H ATOM 521 HB2 LYS A 36 -1.094 -2.756 -0.231 1.00 97.65 H ATOM 522 HB3 LYS A 36 -0.445 -2.447 1.376 1.00 97.65 H ATOM 523 HG2 LYS A 36 -0.395 -4.823 0.850 1.00 97.65 H ATOM 524 HG3 LYS A 36 1.228 -4.204 1.127 1.00 97.65 H ATOM 525 HD2 LYS A 36 1.612 -4.135 -1.350 1.00 97.65 H ATOM 526 HD3 LYS A 36 -0.042 -4.745 -1.585 1.00 97.65 H ATOM 527 HE2 LYS A 36 0.568 -6.753 -0.205 1.00 97.65 H ATOM 528 HE3 LYS A 36 2.210 -6.151 -0.094 1.00 97.65 H ATOM 529 HZ1 LYS A 36 0.801 -6.888 -2.592 1.00 97.65 H ATOM 530 HZ2 LYS A 36 2.337 -6.282 -2.534 1.00 97.65 H ATOM 531 HZ3 LYS A 36 1.995 -7.750 -1.880 1.00 97.65 H ATOM 532 N CYS A 37 -0.350 0.177 -1.226 1.00 98.42 N ATOM 533 CA CYS A 37 -1.149 1.392 -1.226 1.00 98.42 C ATOM 534 C CYS A 37 -2.602 1.016 -0.922 1.00 98.42 C ATOM 535 CB CYS A 37 -1.006 2.118 -2.563 1.00 98.42 C ATOM 536 O CYS A 37 -3.238 0.295 -1.698 1.00 98.42 O ATOM 537 SG CYS A 37 -1.858 3.705 -2.546 1.00 98.42 S ATOM 538 H CYS A 37 -0.394 -0.418 -2.041 1.00 98.42 H ATOM 539 HA CYS A 37 -0.788 2.062 -0.446 1.00 98.42 H ATOM 540 HB2 CYS A 37 0.048 2.292 -2.778 1.00 98.42 H ATOM 541 HB3 CYS A 37 -1.432 1.506 -3.358 1.00 98.42 H ATOM 542 N CYS A 38 -3.102 1.472 0.220 1.00 98.40 N ATOM 543 CA CYS A 38 -4.359 1.045 0.818 1.00 98.40 C ATOM 544 C CYS A 38 -5.316 2.228 0.935 1.00 98.40 C ATOM 545 CB CYS A 38 -4.048 0.456 2.196 1.00 98.40 C ATOM 546 O CYS A 38 -4.996 3.219 1.590 1.00 98.40 O ATOM 547 SG CYS A 38 -2.910 -0.943 2.160 1.00 98.40 S ATOM 548 H CYS A 38 -2.516 2.074 0.779 1.00 98.40 H ATOM 549 HA CYS A 38 -4.821 0.271 0.205 1.00 98.40 H ATOM 550 HB2 CYS A 38 -4.971 0.143 2.683 1.00 98.40 H ATOM 551 HB3 CYS A 38 -3.595 1.238 2.806 1.00 98.40 H ATOM 552 N LYS A 39 -6.515 2.121 0.361 1.00 97.72 N ATOM 553 CA LYS A 39 -7.530 3.182 0.405 1.00 97.72 C ATOM 554 C LYS A 39 -8.817 2.669 1.036 1.00 97.72 C ATOM 555 CB LYS A 39 -7.738 3.739 -1.010 1.00 97.72 C ATOM 556 O LYS A 39 -9.206 1.527 0.790 1.00 97.72 O ATOM 557 CG LYS A 39 -8.397 5.124 -0.975 1.00 97.72 C ATOM 558 CD LYS A 39 -8.489 5.755 -2.368 1.00 97.72 C ATOM 559 CE LYS A 39 -9.352 7.017 -2.271 1.00 97.72 C ATOM 560 NZ LYS A 39 -9.238 7.858 -3.485 1.00 97.72 N1+ ATOM 561 H LYS A 39 -6.736 1.271 -0.138 1.00 97.72 H ATOM 562 HA LYS A 39 -7.165 3.999 1.029 1.00 97.72 H ATOM 563 HB2 LYS A 39 -8.348 3.050 -1.594 1.00 97.72 H ATOM 564 HB3 LYS A 39 -6.766 3.834 -1.493 1.00 97.72 H ATOM 565 HG2 LYS A 39 -7.814 5.785 -0.334 1.00 97.72 H ATOM 566 HG3 LYS A 39 -9.400 5.041 -0.557 1.00 97.72 H ATOM 567 HD2 LYS A 39 -7.486 6.010 -2.708 1.00 97.72 H ATOM 568 HD3 LYS A 39 -8.948 5.053 -3.065 1.00 97.72 H ATOM 569 HE2 LYS A 39 -9.025 7.596 -1.407 1.00 97.72 H ATOM 570 HE3 LYS A 39 -10.387 6.719 -2.102 1.00 97.72 H ATOM 571 HZ1 LYS A 39 -8.315 8.266 -3.507 1.00 97.72 H ATOM 572 HZ2 LYS A 39 -9.408 7.324 -4.325 1.00 97.72 H ATOM 573 HZ3 LYS A 39 -9.893 8.626 -3.437 1.00 97.72 H ATOM 574 N LYS A 40 -9.463 3.489 1.868 1.00 94.98 N ATOM 575 CA LYS A 40 -10.836 3.194 2.294 1.00 94.98 C ATOM 576 C LYS A 40 -11.742 3.187 1.051 1.00 94.98 C ATOM 577 CB LYS A 40 -11.340 4.204 3.331 1.00 94.98 C ATOM 578 O LYS A 40 -11.463 3.960 0.133 1.00 94.98 O ATOM 579 CG LYS A 40 -10.677 3.990 4.697 1.00 94.98 C ATOM 580 CD LYS A 40 -11.244 4.975 5.724 1.00 94.98 C ATOM 581 CE LYS A 40 -10.563 4.789 7.082 1.00 94.98 C ATOM 582 NZ LYS A 40 -10.980 5.845 8.040 1.00 94.98 N1+ ATOM 583 H LYS A 40 -9.123 4.435 1.968 1.00 94.98 H ATOM 584 HA LYS A 40 -10.856 2.197 2.735 1.00 94.98 H ATOM 585 HB2 LYS A 40 -11.151 5.217 2.974 1.00 94.98 H ATOM 586 HB3 LYS A 40 -12.418 4.082 3.442 1.00 94.98 H ATOM 587 HG2 LYS A 40 -9.605 4.162 4.599 1.00 94.98 H ATOM 588 HG3 LYS A 40 -10.851 2.968 5.035 1.00 94.98 H ATOM 589 HD2 LYS A 40 -11.069 5.989 5.363 1.00 94.98 H ATOM 590 HD3 LYS A 40 -12.318 4.817 5.821 1.00 94.98 H ATOM 591 HE2 LYS A 40 -9.486 4.845 6.924 1.00 94.98 H ATOM 592 HE3 LYS A 40 -10.804 3.796 7.464 1.00 94.98 H ATOM 593 HZ1 LYS A 40 -10.534 5.727 8.938 1.00 94.98 H ATOM 594 HZ2 LYS A 40 -11.983 5.854 8.157 1.00 94.98 H ATOM 595 HZ3 LYS A 40 -10.711 6.751 7.684 1.00 94.98 H ATOM 596 N PRO A 41 -12.733 2.286 0.988 1.00 86.64 N ATOM 597 CA PRO A 41 -13.723 2.301 -0.082 1.00 86.64 C ATOM 598 C PRO A 41 -14.438 3.651 -0.168 1.00 86.64 C ATOM 599 CB PRO A 41 -14.685 1.149 0.216 1.00 86.64 C ATOM 600 O PRO A 41 -14.570 4.315 0.887 1.00 86.64 O ATOM 601 CG PRO A 41 -14.553 0.948 1.723 1.00 86.64 C ATOM 602 CD PRO A 41 -13.106 1.328 2.013 1.00 86.64 C ATOM 603 OXT PRO A 41 -14.821 3.955 -1.313 1.00 86.64 O1- ATOM 604 HA PRO A 41 -13.237 2.136 -1.044 1.00 86.64 H ATOM 605 HB2 PRO A 41 -14.343 0.253 -0.303 1.00 86.64 H ATOM 606 HB3 PRO A 41 -15.709 1.389 -0.070 1.00 86.64 H ATOM 607 HG2 PRO A 41 -15.219 1.639 2.240 1.00 86.64 H ATOM 608 HG3 PRO A 41 -14.765 -0.080 2.015 1.00 86.64 H ATOM 609 HD2 PRO A 41 -13.037 1.757 3.013 1.00 86.64 H ATOM 610 HD3 PRO A 41 -12.468 0.448 1.930 1.00 86.64 H TER 611 PRO A 41 CONECT 97 537 CONECT 195 444 CONECT 272 547 CONECT 444 195 CONECT 537 97 CONECT 547 272 END