ATOM 1 N MET A 1 1.477 -0.091 -0.401 1.00 61.14 N ATOM 2 CA MET A 1 2.377 0.167 -1.518 1.00 54.30 C ATOM 3 C MET A 1 3.529 -0.832 -1.531 1.00 10.41 C ATOM 4 O MET A 1 4.530 -0.651 -0.836 1.00 3.43 O ATOM 5 CB MET A 1 2.925 1.594 -1.441 1.00 20.22 C ATOM 6 CG MET A 1 3.391 1.991 -0.049 1.00 1.40 C ATOM 7 SD MET A 1 4.715 3.213 -0.082 1.00 51.55 S ATOM 8 CE MET A 1 6.154 2.152 -0.176 1.00 35.22 C ATOM 9 H MET A 1 1.162 0.661 0.142 1.00 74.14 H ATOM 10 HA MET A 1 1.812 0.058 -2.432 1.00 15.40 H ATOM 11 HB2 MET A 1 3.763 1.683 -2.116 1.00 4.54 H ATOM 12 HB3 MET A 1 2.150 2.282 -1.747 1.00 14.14 H ATOM 13 HG2 MET A 1 2.554 2.403 0.494 1.00 54.45 H ATOM 14 HG3 MET A 1 3.747 1.108 0.461 1.00 12.20 H ATOM 15 HE1 MET A 1 6.202 1.695 -1.155 1.00 22.11 H ATOM 16 HE2 MET A 1 7.046 2.738 -0.010 1.00 11.55 H ATOM 17 HE3 MET A 1 6.083 1.381 0.577 1.00 61.33 H ATOM 18 N CYS A 2 3.383 -1.887 -2.325 1.00 65.22 N ATOM 19 CA CYS A 2 4.411 -2.916 -2.427 1.00 20.05 C ATOM 20 C CYS A 2 5.773 -2.297 -2.727 1.00 4.54 C ATOM 21 O CYS A 2 6.801 -2.774 -2.248 1.00 4.35 O ATOM 22 CB CYS A 2 4.045 -3.925 -3.518 1.00 63.23 C ATOM 23 SG CYS A 2 5.058 -5.439 -3.500 1.00 13.21 S ATOM 24 H CYS A 2 2.562 -1.977 -2.855 1.00 75.25 H ATOM 25 HA CYS A 2 4.463 -3.429 -1.478 1.00 54.14 H ATOM 26 HB2 CYS A 2 3.013 -4.219 -3.394 1.00 13.22 H ATOM 27 HB3 CYS A 2 4.168 -3.459 -4.484 1.00 71.35 H ATOM 28 N MET A 3 5.770 -1.232 -3.523 1.00 45.01 N ATOM 29 CA MET A 3 7.006 -0.547 -3.885 1.00 52.23 C ATOM 30 C MET A 3 6.714 0.854 -4.414 1.00 23.10 C ATOM 31 O MET A 3 5.632 1.136 -4.929 1.00 20.11 O ATOM 32 CB MET A 3 7.771 -1.353 -4.935 1.00 74.12 C ATOM 33 CG MET A 3 7.208 -1.211 -6.340 1.00 63.41 C ATOM 34 SD MET A 3 8.153 -2.139 -7.564 1.00 2.44 S ATOM 35 CE MET A 3 9.793 -1.464 -7.308 1.00 45.55 C ATOM 36 H MET A 3 4.917 -0.899 -3.873 1.00 0.44 H ATOM 37 HA MET A 3 7.611 -0.464 -2.995 1.00 70.35 H ATOM 38 HB2 MET A 3 8.799 -1.020 -4.948 1.00 63.13 H ATOM 39 HB3 MET A 3 7.743 -2.398 -4.662 1.00 23.14 H ATOM 40 HG2 MET A 3 6.190 -1.573 -6.343 1.00 53.32 H ATOM 41 HG3 MET A 3 7.217 -0.167 -6.613 1.00 1.24 H ATOM 42 HE1 MET A 3 10.364 -2.133 -6.681 1.00 21.34 H ATOM 43 HE2 MET A 3 10.288 -1.353 -8.261 1.00 61.54 H ATOM 44 HE3 MET A 3 9.713 -0.500 -6.828 1.00 63.45 H ATOM 45 N PRO A 4 7.701 1.753 -4.286 1.00 22.41 N ATOM 46 CA PRO A 4 7.574 3.139 -4.746 1.00 23.31 C ATOM 47 C PRO A 4 7.543 3.244 -6.267 1.00 1.05 C ATOM 48 O PRO A 4 8.414 2.709 -6.955 1.00 42.21 O ATOM 49 CB PRO A 4 8.830 3.814 -4.189 1.00 25.11 C ATOM 50 CG PRO A 4 9.817 2.709 -4.035 1.00 51.45 C ATOM 51 CD PRO A 4 9.018 1.485 -3.682 1.00 11.41 C ATOM 52 HA PRO A 4 6.696 3.614 -4.336 1.00 24.43 H ATOM 53 HB2 PRO A 4 9.179 4.562 -4.887 1.00 61.33 H ATOM 54 HB3 PRO A 4 8.603 4.276 -3.241 1.00 71.44 H ATOM 55 HG2 PRO A 4 10.346 2.557 -4.963 1.00 72.30 H ATOM 56 HG3 PRO A 4 10.510 2.945 -3.241 1.00 34.11 H ATOM 57 HD2 PRO A 4 9.468 0.603 -4.114 1.00 15.24 H ATOM 58 HD3 PRO A 4 8.936 1.383 -2.610 1.00 72.12 H ATOM 59 N CYS A 5 6.535 3.937 -6.787 1.00 4.23 N ATOM 60 CA CYS A 5 6.390 4.113 -8.227 1.00 74.20 C ATOM 61 C CYS A 5 6.844 5.507 -8.653 1.00 64.10 C ATOM 62 O CYS A 5 7.084 6.376 -7.816 1.00 15.51 O ATOM 63 CB CYS A 5 4.936 3.889 -8.645 1.00 42.42 C ATOM 64 SG CYS A 5 4.744 3.030 -10.240 1.00 30.21 S ATOM 65 H CYS A 5 5.872 4.340 -6.187 1.00 1.03 H ATOM 66 HA CYS A 5 7.013 3.380 -8.715 1.00 23.14 H ATOM 67 HB2 CYS A 5 4.440 3.294 -7.891 1.00 54.03 H ATOM 68 HB3 CYS A 5 4.440 4.845 -8.724 1.00 14.14 H ATOM 69 N PHE A 6 6.960 5.710 -9.961 1.00 61.31 N ATOM 70 CA PHE A 6 7.387 6.997 -10.499 1.00 11.13 C ATOM 71 C PHE A 6 6.684 7.293 -11.822 1.00 22.31 C ATOM 72 O PHE A 6 6.794 6.528 -12.781 1.00 51.14 O ATOM 73 CB PHE A 6 8.904 7.012 -10.700 1.00 13.01 C ATOM 74 CG PHE A 6 9.676 7.127 -9.417 1.00 63.40 C ATOM 75 CD1 PHE A 6 10.176 8.351 -9.000 1.00 51.33 C ATOM 76 CD2 PHE A 6 9.903 6.011 -8.627 1.00 31.31 C ATOM 77 CE1 PHE A 6 10.888 8.458 -7.821 1.00 4.43 C ATOM 78 CE2 PHE A 6 10.613 6.113 -7.446 1.00 22.35 C ATOM 79 CZ PHE A 6 11.106 7.338 -7.042 1.00 34.35 C ATOM 80 H PHE A 6 6.756 4.977 -10.579 1.00 73.13 H ATOM 81 HA PHE A 6 7.119 7.759 -9.785 1.00 73.55 H ATOM 82 HB2 PHE A 6 9.204 6.098 -11.188 1.00 11.14 H ATOM 83 HB3 PHE A 6 9.168 7.853 -11.324 1.00 15.01 H ATOM 84 HD1 PHE A 6 10.006 9.227 -9.607 1.00 4.32 H ATOM 85 HD2 PHE A 6 9.517 5.051 -8.942 1.00 2.12 H ATOM 86 HE1 PHE A 6 11.271 9.416 -7.506 1.00 62.43 H ATOM 87 HE2 PHE A 6 10.782 5.234 -6.841 1.00 62.21 H ATOM 88 HZ PHE A 6 11.663 7.419 -6.120 1.00 51.43 H ATOM 89 N THR A 7 5.963 8.408 -11.866 1.00 52.30 N ATOM 90 CA THR A 7 5.241 8.805 -13.067 1.00 12.52 C ATOM 91 C THR A 7 6.203 9.200 -14.181 1.00 73.14 C ATOM 92 O THR A 7 5.950 8.940 -15.358 1.00 53.32 O ATOM 93 CB THR A 7 4.287 9.981 -12.787 1.00 60.31 C ATOM 94 OG1 THR A 7 3.557 10.313 -13.974 1.00 62.32 O ATOM 95 CG2 THR A 7 5.057 11.200 -12.302 1.00 21.32 C ATOM 96 H THR A 7 5.914 8.976 -11.068 1.00 2.23 H ATOM 97 HA THR A 7 4.651 7.961 -13.397 1.00 25.02 H ATOM 98 HB THR A 7 3.590 9.683 -12.017 1.00 13.03 H ATOM 99 HG1 THR A 7 2.835 10.904 -13.751 1.00 50.10 H ATOM 100 HG21 THR A 7 5.367 11.791 -13.150 1.00 33.24 H ATOM 101 HG22 THR A 7 5.928 10.877 -11.751 1.00 1.34 H ATOM 102 HG23 THR A 7 4.424 11.793 -11.661 1.00 63.31 H ATOM 103 N THR A 8 7.311 9.830 -13.803 1.00 1.00 N ATOM 104 CA THR A 8 8.313 10.262 -14.770 1.00 60.33 C ATOM 105 C THR A 8 9.085 9.074 -15.331 1.00 53.42 C ATOM 106 O THR A 8 9.664 9.153 -16.415 1.00 64.45 O ATOM 107 CB THR A 8 9.308 11.256 -14.142 1.00 54.50 C ATOM 108 OG1 THR A 8 10.309 11.620 -15.101 1.00 44.03 O ATOM 109 CG2 THR A 8 9.972 10.653 -12.914 1.00 4.11 C ATOM 110 H THR A 8 7.457 10.010 -12.851 1.00 15.32 H ATOM 111 HA THR A 8 7.801 10.762 -15.580 1.00 2.23 H ATOM 112 HB THR A 8 8.768 12.143 -13.843 1.00 41.13 H ATOM 113 HG1 THR A 8 10.006 12.377 -15.608 1.00 42.43 H ATOM 114 HG21 THR A 8 11.016 10.470 -13.121 1.00 54.43 H ATOM 115 HG22 THR A 8 9.486 9.722 -12.662 1.00 2.14 H ATOM 116 HG23 THR A 8 9.886 11.340 -12.085 1.00 74.13 H ATOM 117 N ASP A 9 9.088 7.973 -14.588 1.00 21.34 N ATOM 118 CA ASP A 9 9.788 6.766 -15.012 1.00 12.04 C ATOM 119 C ASP A 9 8.866 5.862 -15.827 1.00 61.42 C ATOM 120 O ASP A 9 7.730 5.599 -15.433 1.00 12.44 O ATOM 121 CB ASP A 9 10.322 6.007 -13.798 1.00 52.22 C ATOM 122 CG ASP A 9 11.348 6.809 -13.020 1.00 4.24 C ATOM 123 OD1 ASP A 9 12.452 6.281 -12.774 1.00 2.11 O ATOM 124 OD2 ASP A 9 11.045 7.964 -12.657 1.00 44.10 O1- ATOM 125 H ASP A 9 8.607 7.972 -13.734 1.00 2.15 H ATOM 126 HA ASP A 9 10.618 7.065 -15.634 1.00 55.21 H ATOM 127 HB2 ASP A 9 9.501 5.772 -13.137 1.00 2.03 H ATOM 128 HB3 ASP A 9 10.786 5.090 -14.130 1.00 52.11 H ATOM 129 N HIS A 10 9.364 5.390 -16.965 1.00 43.01 N ATOM 130 CA HIS A 10 8.585 4.516 -17.836 1.00 62.24 C ATOM 131 C HIS A 10 8.879 3.050 -17.537 1.00 53.43 C ATOM 132 O HIS A 10 7.992 2.202 -17.616 1.00 31.54 O ATOM 133 CB HIS A 10 8.891 4.821 -19.303 1.00 31.21 C ATOM 134 CG HIS A 10 8.165 6.019 -19.830 1.00 13.22 C ATOM 135 ND1 HIS A 10 6.995 5.932 -20.555 1.00 61.15 N ATOM 136 CD2 HIS A 10 8.448 7.340 -19.733 1.00 41.34 C ATOM 137 CE1 HIS A 10 6.590 7.148 -20.882 1.00 72.53 C ATOM 138 NE2 HIS A 10 7.455 8.020 -20.395 1.00 64.11 N ATOM 139 H HIS A 10 10.276 5.635 -17.227 1.00 40.51 H ATOM 140 HA HIS A 10 7.540 4.707 -17.648 1.00 21.14 H ATOM 141 HB2 HIS A 10 9.950 4.999 -19.415 1.00 15.41 H ATOM 142 HB3 HIS A 10 8.609 3.969 -19.907 1.00 4.24 H ATOM 143 HD1 HIS A 10 6.530 5.104 -20.795 1.00 3.22 H ATOM 144 HD2 HIS A 10 9.298 7.778 -19.229 1.00 74.25 H ATOM 145 HE1 HIS A 10 5.704 7.388 -21.450 1.00 61.01 H ATOM 146 N GLN A 11 10.131 2.760 -17.193 1.00 53.33 N ATOM 147 CA GLN A 11 10.540 1.396 -16.883 1.00 74.14 C ATOM 148 C GLN A 11 10.168 1.028 -15.450 1.00 32.21 C ATOM 149 O GLN A 11 10.171 -0.147 -15.080 1.00 21.34 O ATOM 150 CB GLN A 11 12.047 1.234 -17.089 1.00 43.54 C ATOM 151 CG GLN A 11 12.877 2.260 -16.334 1.00 43.54 C ATOM 152 CD GLN A 11 14.264 1.751 -15.992 1.00 64.12 C ATOM 153 OE1 GLN A 11 14.536 1.372 -14.852 1.00 53.20 O ATOM 154 NE2 GLN A 11 15.151 1.738 -16.982 1.00 34.11 N ATOM 155 H GLN A 11 10.792 3.480 -17.147 1.00 21.03 H ATOM 156 HA GLN A 11 10.020 0.732 -17.558 1.00 15.23 H ATOM 157 HB2 GLN A 11 12.341 0.249 -16.756 1.00 73.33 H ATOM 158 HB3 GLN A 11 12.267 1.330 -18.142 1.00 24.02 H ATOM 159 HG2 GLN A 11 12.977 3.144 -16.946 1.00 63.04 H ATOM 160 HG3 GLN A 11 12.367 2.513 -15.417 1.00 63.33 H ATOM 161 HE21 GLN A 11 14.863 2.055 -17.864 1.00 15.12 H ATOM 162 HE22 GLN A 11 16.055 1.414 -16.788 1.00 62.42 H ATOM 163 N MET A 12 9.849 2.038 -14.649 1.00 45.43 N ATOM 164 CA MET A 12 9.474 1.820 -13.257 1.00 41.10 C ATOM 165 C MET A 12 8.195 0.993 -13.161 1.00 14.12 C ATOM 166 O MET A 12 8.085 0.100 -12.323 1.00 20.41 O ATOM 167 CB MET A 12 9.284 3.159 -12.541 1.00 13.42 C ATOM 168 CG MET A 12 8.883 3.017 -11.082 1.00 3.42 C ATOM 169 SD MET A 12 10.271 2.570 -10.021 1.00 34.23 S ATOM 170 CE MET A 12 9.585 1.172 -9.137 1.00 44.15 C ATOM 171 H MET A 12 9.865 2.952 -15.001 1.00 23.24 H ATOM 172 HA MET A 12 10.276 1.278 -12.779 1.00 24.11 H ATOM 173 HB2 MET A 12 10.210 3.713 -12.586 1.00 10.25 H ATOM 174 HB3 MET A 12 8.514 3.720 -13.050 1.00 64.23 H ATOM 175 HG2 MET A 12 8.478 3.958 -10.740 1.00 14.24 H ATOM 176 HG3 MET A 12 8.127 2.251 -11.004 1.00 32.30 H ATOM 177 HE1 MET A 12 10.165 0.990 -8.244 1.00 33.32 H ATOM 178 HE2 MET A 12 8.562 1.385 -8.865 1.00 73.40 H ATOM 179 HE3 MET A 12 9.616 0.297 -9.770 1.00 50.41 H ATOM 180 N ALA A 13 7.233 1.299 -14.024 1.00 20.32 N ATOM 181 CA ALA A 13 5.963 0.582 -14.038 1.00 61.02 C ATOM 182 C ALA A 13 6.184 -0.925 -14.101 1.00 65.44 C ATOM 183 O ALA A 13 5.431 -1.697 -13.509 1.00 61.00 O ATOM 184 CB ALA A 13 5.111 1.043 -15.211 1.00 41.50 C ATOM 185 H ALA A 13 7.381 2.022 -14.669 1.00 54.24 H ATOM 186 HA ALA A 13 5.436 0.822 -13.126 1.00 40.02 H ATOM 187 HB1 ALA A 13 5.580 0.743 -16.137 1.00 4.12 H ATOM 188 HB2 ALA A 13 4.131 0.593 -15.142 1.00 21.51 H ATOM 189 HB3 ALA A 13 5.016 2.118 -15.187 1.00 41.25 H ATOM 190 N ARG A 14 7.221 -1.337 -14.824 1.00 61.42 N ATOM 191 CA ARG A 14 7.539 -2.752 -14.965 1.00 4.12 C ATOM 192 C ARG A 14 7.639 -3.427 -13.600 1.00 73.12 C ATOM 193 O ARG A 14 7.028 -4.470 -13.364 1.00 51.32 O ATOM 194 CB ARG A 14 8.852 -2.927 -15.730 1.00 70.30 C ATOM 195 CG ARG A 14 8.991 -4.285 -16.399 1.00 3.53 C ATOM 196 CD ARG A 14 8.295 -4.312 -17.752 1.00 31.05 C ATOM 197 NE ARG A 14 9.124 -3.733 -18.806 1.00 71.02 N ATOM 198 CZ ARG A 14 8.668 -3.432 -20.017 1.00 73.14 C ATOM 199 NH1 ARG A 14 7.398 -3.652 -20.325 1.00 12.21 N1+ ATOM 200 NH2 ARG A 14 9.485 -2.908 -20.922 1.00 43.21 N ATOM 201 H ARG A 14 7.784 -0.673 -15.272 1.00 11.41 H ATOM 202 HA ARG A 14 6.742 -3.217 -15.526 1.00 53.42 H ATOM 203 HB2 ARG A 14 8.916 -2.166 -16.493 1.00 62.34 H ATOM 204 HB3 ARG A 14 9.675 -2.805 -15.040 1.00 32.32 H ATOM 205 HG2 ARG A 14 10.040 -4.500 -16.543 1.00 14.32 H ATOM 206 HG3 ARG A 14 8.550 -5.037 -15.763 1.00 64.15 H ATOM 207 HD2 ARG A 14 8.070 -5.337 -18.006 1.00 2.11 H ATOM 208 HD3 ARG A 14 7.376 -3.749 -17.679 1.00 61.05 H ATOM 209 HE ARG A 14 10.066 -3.563 -18.600 1.00 12.31 H ATOM 210 HH11 ARG A 14 6.780 -4.046 -19.644 1.00 13.11 H ATOM 211 HH12 ARG A 14 7.057 -3.422 -21.237 1.00 54.33 H ATOM 212 HH21 ARG A 14 10.444 -2.741 -20.693 1.00 3.13 H ATOM 213 HH22 ARG A 14 9.141 -2.682 -21.833 1.00 22.33 H ATOM 214 N LYS A 15 8.412 -2.824 -12.703 1.00 53.05 N ATOM 215 CA LYS A 15 8.593 -3.365 -11.361 1.00 32.42 C ATOM 216 C LYS A 15 7.310 -3.232 -10.545 1.00 33.31 C ATOM 217 O LYS A 15 6.945 -4.136 -9.793 1.00 53.12 O ATOM 218 CB LYS A 15 9.739 -2.645 -10.649 1.00 1.14 C ATOM 219 CG LYS A 15 11.088 -2.835 -11.322 1.00 62.52 C ATOM 220 CD LYS A 15 12.074 -1.754 -10.913 1.00 62.43 C ATOM 221 CE LYS A 15 11.869 -0.479 -11.716 1.00 42.23 C ATOM 222 NZ LYS A 15 13.161 0.181 -12.048 1.00 31.31 N1+ ATOM 223 H LYS A 15 8.874 -1.995 -12.950 1.00 5.22 H ATOM 224 HA LYS A 15 8.838 -4.411 -11.455 1.00 12.41 H ATOM 225 HB2 LYS A 15 9.521 -1.588 -10.618 1.00 65.25 H ATOM 226 HB3 LYS A 15 9.810 -3.018 -9.638 1.00 61.53 H ATOM 227 HG2 LYS A 15 11.488 -3.797 -11.040 1.00 44.42 H ATOM 228 HG3 LYS A 15 10.953 -2.799 -12.395 1.00 63.13 H ATOM 229 HD2 LYS A 15 11.936 -1.532 -9.865 1.00 35.34 H ATOM 230 HD3 LYS A 15 13.079 -2.115 -11.077 1.00 43.40 H ATOM 231 HE2 LYS A 15 11.353 -0.725 -12.631 1.00 42.01 H ATOM 232 HE3 LYS A 15 11.265 0.204 -11.135 1.00 31.51 H ATOM 233 HZ1 LYS A 15 13.922 -0.203 -11.453 1.00 32.11 H ATOM 234 HZ2 LYS A 15 13.092 1.205 -11.885 1.00 43.32 H ATOM 235 HZ3 LYS A 15 13.399 0.016 -13.048 1.00 5.34 H ATOM 236 N CYS A 16 6.631 -2.100 -10.699 1.00 3.31 N ATOM 237 CA CYS A 16 5.389 -1.849 -9.977 1.00 42.35 C ATOM 238 C CYS A 16 4.424 -3.020 -10.132 1.00 44.12 C ATOM 239 O CYS A 16 3.820 -3.474 -9.160 1.00 25.33 O ATOM 240 CB CYS A 16 4.733 -0.562 -10.481 1.00 33.01 C ATOM 241 SG CYS A 16 2.994 -0.367 -9.974 1.00 23.31 S ATOM 242 H CYS A 16 6.974 -1.416 -11.312 1.00 60.30 H ATOM 243 HA CYS A 16 5.631 -1.733 -8.932 1.00 65.44 H ATOM 244 HB2 CYS A 16 5.283 0.286 -10.101 1.00 64.11 H ATOM 245 HB3 CYS A 16 4.765 -0.551 -11.561 1.00 1.13 H ATOM 246 N ASP A 17 4.283 -3.505 -11.361 1.00 30.21 N ATOM 247 CA ASP A 17 3.392 -4.624 -11.644 1.00 74.33 C ATOM 248 C ASP A 17 3.960 -5.926 -11.086 1.00 20.44 C ATOM 249 O ASP A 17 3.218 -6.779 -10.598 1.00 54.11 O ATOM 250 CB ASP A 17 3.167 -4.756 -13.151 1.00 61.34 C ATOM 251 CG ASP A 17 2.727 -3.452 -13.787 1.00 41.41 C ATOM 252 OD1 ASP A 17 3.151 -3.176 -14.929 1.00 23.12 O ATOM 253 OD2 ASP A 17 1.958 -2.708 -13.143 1.00 73.12 O1- ATOM 254 H ASP A 17 4.791 -3.101 -12.095 1.00 20.24 H ATOM 255 HA ASP A 17 2.446 -4.425 -11.165 1.00 70.12 H ATOM 256 HB2 ASP A 17 4.089 -5.070 -13.620 1.00 60.14 H ATOM 257 HB3 ASP A 17 2.405 -5.500 -13.332 1.00 43.02 H ATOM 258 N ASP A 18 5.278 -6.070 -11.163 1.00 1.53 N ATOM 259 CA ASP A 18 5.945 -7.268 -10.665 1.00 43.23 C ATOM 260 C ASP A 18 5.716 -7.435 -9.166 1.00 73.15 C ATOM 261 O ASP A 18 5.304 -8.500 -8.706 1.00 70.42 O ATOM 262 CB ASP A 18 7.445 -7.202 -10.960 1.00 12.25 C ATOM 263 CG ASP A 18 8.124 -8.549 -10.816 1.00 72.42 C ATOM 264 OD1 ASP A 18 7.725 -9.321 -9.918 1.00 72.02 O ATOM 265 OD2 ASP A 18 9.054 -8.832 -11.599 1.00 1.52 O1- ATOM 266 H ASP A 18 5.815 -5.355 -11.563 1.00 42.55 H ATOM 267 HA ASP A 18 5.525 -8.120 -11.178 1.00 30.43 H ATOM 268 HB2 ASP A 18 7.591 -6.852 -11.972 1.00 71.53 H ATOM 269 HB3 ASP A 18 7.909 -6.508 -10.274 1.00 23.01 H ATOM 270 N CYS A 19 5.987 -6.377 -8.410 1.00 74.32 N ATOM 271 CA CYS A 19 5.811 -6.406 -6.963 1.00 61.35 C ATOM 272 C CYS A 19 4.398 -6.847 -6.595 1.00 64.12 C ATOM 273 O CYS A 19 4.191 -7.539 -5.598 1.00 71.41 O ATOM 274 CB CYS A 19 6.098 -5.027 -6.366 1.00 12.25 C ATOM 275 SG CYS A 19 6.670 -5.070 -4.636 1.00 61.50 S ATOM 276 H CYS A 19 6.312 -5.555 -8.835 1.00 52.24 H ATOM 277 HA CYS A 19 6.514 -7.118 -6.558 1.00 12.02 H ATOM 278 HB2 CYS A 19 6.865 -4.542 -6.953 1.00 43.44 H ATOM 279 HB3 CYS A 19 5.197 -4.433 -6.400 1.00 44.30 H ATOM 280 N CYS A 20 3.427 -6.441 -7.407 1.00 43.21 N ATOM 281 CA CYS A 20 2.032 -6.794 -7.169 1.00 13.54 C ATOM 282 C CYS A 20 1.802 -8.285 -7.392 1.00 3.21 C ATOM 283 O CYS A 20 0.903 -8.881 -6.799 1.00 31.20 O ATOM 284 CB CYS A 20 1.115 -5.982 -8.087 1.00 71.44 C ATOM 285 SG CYS A 20 1.143 -4.189 -7.769 1.00 62.14 S ATOM 286 H CYS A 20 3.654 -5.891 -8.187 1.00 13.34 H ATOM 287 HA CYS A 20 1.801 -6.556 -6.142 1.00 50.45 H ATOM 288 HB2 CYS A 20 1.417 -6.139 -9.113 1.00 1.51 H ATOM 289 HB3 CYS A 20 0.098 -6.323 -7.960 1.00 54.53 H ATOM 290 N GLY A 21 2.623 -8.884 -8.250 1.00 71.21 N ATOM 291 CA GLY A 21 2.493 -10.301 -8.536 1.00 63.31 C ATOM 292 C GLY A 21 3.256 -10.714 -9.779 1.00 31.25 C ATOM 293 O GLY A 21 4.281 -11.386 -9.692 1.00 4.44 O ATOM 294 H GLY A 21 3.322 -8.359 -8.693 1.00 15.03 H ATOM 295 HA2 GLY A 21 2.868 -10.862 -7.693 1.00 21.32 H ATOM 296 HA3 GLY A 21 1.448 -10.533 -8.675 1.00 45.10 H ATOM 297 N GLY A 22 2.751 -10.311 -10.942 1.00 45.41 N ATOM 298 CA GLY A 22 3.403 -10.654 -12.192 1.00 34.14 C ATOM 299 C GLY A 22 3.171 -9.616 -13.272 1.00 73.32 C ATOM 300 O GLY A 22 2.382 -8.688 -13.092 1.00 61.24 O ATOM 301 H GLY A 22 1.929 -9.777 -10.951 1.00 60.10 H ATOM 302 HA2 GLY A 22 4.464 -10.746 -12.018 1.00 2.10 H ATOM 303 HA3 GLY A 22 3.020 -11.604 -12.535 1.00 24.21 H ATOM 304 N LYS A 23 3.861 -9.768 -14.396 1.00 3.23 N ATOM 305 CA LYS A 23 3.728 -8.837 -15.509 1.00 20.35 C ATOM 306 C LYS A 23 2.263 -8.649 -15.889 1.00 22.43 C ATOM 307 O LYS A 23 1.585 -9.599 -16.276 1.00 2.32 O ATOM 308 CB LYS A 23 4.519 -9.339 -16.719 1.00 72.33 C ATOM 309 CG LYS A 23 4.502 -8.380 -17.897 1.00 64.12 C ATOM 310 CD LYS A 23 5.431 -8.845 -19.007 1.00 52.32 C ATOM 311 CE LYS A 23 4.841 -10.019 -19.772 1.00 45.02 C ATOM 312 NZ LYS A 23 3.595 -9.641 -20.494 1.00 51.44 N1+ ATOM 313 H LYS A 23 4.476 -10.529 -14.479 1.00 3.22 H ATOM 314 HA LYS A 23 4.132 -7.885 -15.196 1.00 40.43 H ATOM 315 HB2 LYS A 23 5.546 -9.496 -16.423 1.00 34.30 H ATOM 316 HB3 LYS A 23 4.099 -10.281 -17.043 1.00 10.51 H ATOM 317 HG2 LYS A 23 3.498 -8.319 -18.286 1.00 33.44 H ATOM 318 HG3 LYS A 23 4.820 -7.404 -17.559 1.00 3.51 H ATOM 319 HD2 LYS A 23 5.594 -8.027 -19.694 1.00 62.25 H ATOM 320 HD3 LYS A 23 6.374 -9.146 -18.573 1.00 13.45 H ATOM 321 HE2 LYS A 23 5.571 -10.368 -20.488 1.00 23.11 H ATOM 322 HE3 LYS A 23 4.617 -10.811 -19.073 1.00 53.04 H ATOM 323 HZ1 LYS A 23 3.740 -8.753 -21.016 1.00 22.05 H ATOM 324 HZ2 LYS A 23 2.817 -9.508 -19.818 1.00 23.14 H ATOM 325 HZ3 LYS A 23 3.332 -10.387 -21.168 1.00 40.52 H ATOM 326 N GLY A 24 1.780 -7.415 -15.776 1.00 4.40 N ATOM 327 CA GLY A 24 0.399 -7.125 -16.114 1.00 75.05 C ATOM 328 C GLY A 24 -0.473 -6.952 -14.885 1.00 42.01 C ATOM 329 O GLY A 24 -1.546 -6.352 -14.957 1.00 52.53 O ATOM 330 H GLY A 24 2.367 -6.695 -15.463 1.00 25.55 H ATOM 331 HA2 GLY A 24 0.365 -6.217 -16.697 1.00 12.33 H ATOM 332 HA3 GLY A 24 0.007 -7.937 -16.708 1.00 2.34 H ATOM 333 N ARG A 25 -0.014 -7.482 -13.756 1.00 15.22 N ATOM 334 CA ARG A 25 -0.761 -7.386 -12.508 1.00 10.45 C ATOM 335 C ARG A 25 -0.326 -6.162 -11.707 1.00 52.41 C ATOM 336 O ARG A 25 0.837 -6.036 -11.330 1.00 73.24 O ATOM 337 CB ARG A 25 -0.564 -8.652 -11.673 1.00 71.43 C ATOM 338 CG ARG A 25 -0.607 -9.934 -12.489 1.00 22.35 C ATOM 339 CD ARG A 25 -1.215 -11.079 -11.695 1.00 4.34 C ATOM 340 NE ARG A 25 -1.208 -12.331 -12.448 1.00 25.31 N ATOM 341 CZ ARG A 25 -1.749 -13.459 -12.003 1.00 43.12 C ATOM 342 NH1 ARG A 25 -2.338 -13.493 -10.815 1.00 62.53 N1+ ATOM 343 NH2 ARG A 25 -1.703 -14.557 -12.747 1.00 50.14 N ATOM 344 H ARG A 25 0.848 -7.948 -13.763 1.00 43.44 H ATOM 345 HA ARG A 25 -1.807 -7.287 -12.755 1.00 53.35 H ATOM 346 HB2 ARG A 25 0.396 -8.598 -11.179 1.00 52.51 H ATOM 347 HB3 ARG A 25 -1.342 -8.701 -10.925 1.00 44.52 H ATOM 348 HG2 ARG A 25 -1.204 -9.766 -13.373 1.00 71.44 H ATOM 349 HG3 ARG A 25 0.399 -10.200 -12.777 1.00 42.22 H ATOM 350 HD2 ARG A 25 -0.645 -11.214 -10.788 1.00 43.41 H ATOM 351 HD3 ARG A 25 -2.234 -10.825 -11.446 1.00 72.52 H ATOM 352 HE ARG A 25 -0.778 -12.328 -13.328 1.00 71.42 H ATOM 353 HH11 ARG A 25 -2.375 -12.666 -10.254 1.00 14.34 H ATOM 354 HH12 ARG A 25 -2.746 -14.343 -10.483 1.00 2.50 H ATOM 355 HH21 ARG A 25 -1.261 -14.536 -13.642 1.00 12.23 H ATOM 356 HH22 ARG A 25 -2.110 -15.406 -12.411 1.00 22.24 H ATOM 357 N GLY A 26 -1.271 -5.262 -11.452 1.00 12.23 N ATOM 358 CA GLY A 26 -0.966 -4.060 -10.698 1.00 3.25 C ATOM 359 C GLY A 26 -1.135 -2.800 -11.524 1.00 24.32 C ATOM 360 O GLY A 26 -1.488 -2.862 -12.701 1.00 11.13 O ATOM 361 H GLY A 26 -2.183 -5.415 -11.779 1.00 43.32 H ATOM 362 HA2 GLY A 26 -1.624 -4.008 -9.843 1.00 32.44 H ATOM 363 HA3 GLY A 26 0.055 -4.115 -10.352 1.00 64.11 H ATOM 364 N LYS A 27 -0.883 -1.651 -10.905 1.00 24.11 N ATOM 365 CA LYS A 27 -1.009 -0.369 -11.589 1.00 32.04 C ATOM 366 C LYS A 27 -0.167 0.700 -10.900 1.00 61.25 C ATOM 367 O LYS A 27 0.084 0.626 -9.697 1.00 41.23 O ATOM 368 CB LYS A 27 -2.475 0.069 -11.630 1.00 32.44 C ATOM 369 CG LYS A 27 -2.848 0.825 -12.894 1.00 22.41 C ATOM 370 CD LYS A 27 -4.235 0.442 -13.384 1.00 55.25 C ATOM 371 CE LYS A 27 -4.202 -0.840 -14.200 1.00 3.41 C ATOM 372 NZ LYS A 27 -5.423 -0.994 -15.040 1.00 54.24 N1+ ATOM 373 H LYS A 27 -0.605 -1.666 -9.965 1.00 41.42 H ATOM 374 HA LYS A 27 -0.651 -0.496 -12.600 1.00 61.03 H ATOM 375 HB2 LYS A 27 -3.101 -0.808 -11.563 1.00 64.22 H ATOM 376 HB3 LYS A 27 -2.671 0.707 -10.782 1.00 21.32 H ATOM 377 HG2 LYS A 27 -2.831 1.884 -12.686 1.00 34.13 H ATOM 378 HG3 LYS A 27 -2.127 0.596 -13.666 1.00 32.04 H ATOM 379 HD2 LYS A 27 -4.881 0.297 -12.531 1.00 4.44 H ATOM 380 HD3 LYS A 27 -4.622 1.242 -14.000 1.00 42.23 H ATOM 381 HE2 LYS A 27 -3.336 -0.822 -14.841 1.00 23.42 H ATOM 382 HE3 LYS A 27 -4.133 -1.680 -13.524 1.00 60.13 H ATOM 383 HZ1 LYS A 27 -5.655 -0.091 -15.500 1.00 33.13 H ATOM 384 HZ2 LYS A 27 -6.229 -1.285 -14.449 1.00 74.00 H ATOM 385 HZ3 LYS A 27 -5.265 -1.716 -15.772 1.00 22.22 H ATOM 386 N CYS A 28 0.263 1.694 -11.668 1.00 33.30 N ATOM 387 CA CYS A 28 1.076 2.779 -11.133 1.00 64.20 C ATOM 388 C CYS A 28 0.244 4.047 -10.959 1.00 13.13 C ATOM 389 O CYS A 28 -0.141 4.689 -11.937 1.00 62.20 O ATOM 390 CB CYS A 28 2.264 3.059 -12.054 1.00 65.11 C ATOM 391 SG CYS A 28 3.513 4.176 -11.340 1.00 14.21 S ATOM 392 H CYS A 28 0.030 1.697 -12.621 1.00 41.24 H ATOM 393 HA CYS A 28 1.445 2.472 -10.166 1.00 44.02 H ATOM 394 HB2 CYS A 28 2.755 2.126 -12.289 1.00 14.45 H ATOM 395 HB3 CYS A 28 1.903 3.508 -12.967 1.00 4.33 H ATOM 396 N TYR A 29 -0.030 4.401 -9.709 1.00 12.13 N ATOM 397 CA TYR A 29 -0.819 5.590 -9.406 1.00 54.10 C ATOM 398 C TYR A 29 -0.093 6.485 -8.406 1.00 74.01 C ATOM 399 O TYR A 29 0.010 6.159 -7.225 1.00 21.41 O ATOM 400 CB TYR A 29 -2.188 5.193 -8.852 1.00 42.54 C ATOM 401 CG TYR A 29 -3.105 4.579 -9.886 1.00 45.23 C ATOM 402 CD1 TYR A 29 -3.507 3.254 -9.788 1.00 34.12 C ATOM 403 CD2 TYR A 29 -3.571 5.327 -10.960 1.00 62.43 C ATOM 404 CE1 TYR A 29 -4.344 2.690 -10.731 1.00 13.32 C ATOM 405 CE2 TYR A 29 -4.409 4.773 -11.907 1.00 31.12 C ATOM 406 CZ TYR A 29 -4.792 3.453 -11.789 1.00 13.41 C ATOM 407 OH TYR A 29 -5.627 2.895 -12.729 1.00 30.43 O ATOM 408 H TYR A 29 0.304 3.850 -8.971 1.00 31.15 H ATOM 409 HA TYR A 29 -0.959 6.138 -10.327 1.00 62.24 H ATOM 410 HB2 TYR A 29 -2.052 4.472 -8.061 1.00 4.12 H ATOM 411 HB3 TYR A 29 -2.675 6.070 -8.454 1.00 4.13 H ATOM 412 HD1 TYR A 29 -3.154 2.659 -8.958 1.00 34.10 H ATOM 413 HD2 TYR A 29 -3.269 6.361 -11.051 1.00 55.44 H ATOM 414 HE1 TYR A 29 -4.645 1.656 -10.637 1.00 64.52 H ATOM 415 HE2 TYR A 29 -4.761 5.369 -12.736 1.00 70.25 H ATOM 416 HH TYR A 29 -6.537 3.128 -12.528 1.00 34.11 H ATOM 417 N GLY A 30 0.408 7.617 -8.890 1.00 73.23 N ATOM 418 CA GLY A 30 1.117 8.544 -8.027 1.00 75.55 C ATOM 419 C GLY A 30 2.523 8.076 -7.705 1.00 55.41 C ATOM 420 O GLY A 30 3.114 7.272 -8.427 1.00 44.54 O ATOM 421 H GLY A 30 0.295 7.826 -9.841 1.00 55.31 H ATOM 422 HA2 GLY A 30 1.172 9.505 -8.516 1.00 23.51 H ATOM 423 HA3 GLY A 30 0.567 8.651 -7.104 1.00 4.20 H ATOM 424 N PRO A 31 3.081 8.586 -6.598 1.00 73.33 N ATOM 425 CA PRO A 31 4.434 8.231 -6.157 1.00 43.14 C ATOM 426 C PRO A 31 4.521 6.792 -5.657 1.00 12.34 C ATOM 427 O PRO A 31 5.605 6.213 -5.594 1.00 71.01 O ATOM 428 CB PRO A 31 4.705 9.212 -5.014 1.00 11.54 C ATOM 429 CG PRO A 31 3.355 9.574 -4.499 1.00 21.14 C ATOM 430 CD PRO A 31 2.436 9.549 -5.690 1.00 72.01 C ATOM 431 HA PRO A 31 5.160 8.381 -6.943 1.00 2.41 H ATOM 432 HB2 PRO A 31 5.300 8.726 -4.253 1.00 63.31 H ATOM 433 HB3 PRO A 31 5.227 10.076 -5.393 1.00 63.04 H ATOM 434 HG2 PRO A 31 3.035 8.852 -3.764 1.00 34.33 H ATOM 435 HG3 PRO A 31 3.380 10.564 -4.068 1.00 30.22 H ATOM 436 HD2 PRO A 31 1.453 9.208 -5.401 1.00 4.13 H ATOM 437 HD3 PRO A 31 2.380 10.528 -6.144 1.00 34.24 H ATOM 438 N GLN A 32 3.374 6.224 -5.303 1.00 24.42 N ATOM 439 CA GLN A 32 3.322 4.853 -4.808 1.00 72.22 C ATOM 440 C GLN A 32 2.640 3.935 -5.817 1.00 34.31 C ATOM 441 O GLN A 32 1.783 4.370 -6.588 1.00 54.23 O ATOM 442 CB GLN A 32 2.582 4.798 -3.470 1.00 24.33 C ATOM 443 CG GLN A 32 3.276 5.570 -2.359 1.00 54.33 C ATOM 444 CD GLN A 32 2.471 5.595 -1.075 1.00 11.12 C ATOM 445 OE1 GLN A 32 1.562 4.787 -0.882 1.00 63.11 O ATOM 446 NE2 GLN A 32 2.801 6.526 -0.188 1.00 54.22 N ATOM 447 H GLN A 32 2.543 6.736 -5.375 1.00 31.43 H ATOM 448 HA GLN A 32 4.336 4.515 -4.661 1.00 24.43 H ATOM 449 HB2 GLN A 32 1.593 5.211 -3.602 1.00 14.54 H ATOM 450 HB3 GLN A 32 2.495 3.767 -3.162 1.00 42.10 H ATOM 451 HG2 GLN A 32 4.231 5.106 -2.158 1.00 35.42 H ATOM 452 HG3 GLN A 32 3.434 6.586 -2.689 1.00 4.55 H ATOM 453 HE21 GLN A 32 3.535 7.137 -0.409 1.00 11.44 H ATOM 454 HE22 GLN A 32 2.297 6.566 0.651 1.00 14.22 H ATOM 455 N CYS A 33 3.025 2.663 -5.807 1.00 31.22 N ATOM 456 CA CYS A 33 2.451 1.683 -6.722 1.00 4.23 C ATOM 457 C CYS A 33 1.236 1.003 -6.099 1.00 42.43 C ATOM 458 O CYS A 33 1.344 0.337 -5.068 1.00 3.41 O ATOM 459 CB CYS A 33 3.499 0.633 -7.099 1.00 45.11 C ATOM 460 SG CYS A 33 2.831 -0.781 -8.033 1.00 44.02 S ATOM 461 H CYS A 33 3.712 2.376 -5.169 1.00 11.45 H ATOM 462 HA CYS A 33 2.140 2.205 -7.614 1.00 22.44 H ATOM 463 HB2 CYS A 33 4.260 1.099 -7.709 1.00 21.42 H ATOM 464 HB3 CYS A 33 3.953 0.249 -6.198 1.00 63.41 H ATOM 465 N LEU A 34 0.080 1.176 -6.730 1.00 13.22 N ATOM 466 CA LEU A 34 -1.156 0.579 -6.239 1.00 63.23 C ATOM 467 C LEU A 34 -1.542 -0.640 -7.072 1.00 51.42 C ATOM 468 O LEU A 34 -1.741 -0.540 -8.283 1.00 24.01 O ATOM 469 CB LEU A 34 -2.288 1.607 -6.266 1.00 32.10 C ATOM 470 CG LEU A 34 -1.935 3.007 -5.765 1.00 43.54 C ATOM 471 CD1 LEU A 34 -3.163 3.904 -5.774 1.00 14.04 C ATOM 472 CD2 LEU A 34 -1.333 2.939 -4.369 1.00 70.22 C ATOM 473 H LEU A 34 0.057 1.717 -7.547 1.00 45.35 H ATOM 474 HA LEU A 34 -0.991 0.265 -5.220 1.00 40.11 H ATOM 475 HB2 LEU A 34 -2.629 1.698 -7.286 1.00 35.14 H ATOM 476 HB3 LEU A 34 -3.093 1.228 -5.652 1.00 40.13 H ATOM 477 HG LEU A 34 -1.198 3.444 -6.426 1.00 15.14 H ATOM 478 HD11 LEU A 34 -3.799 3.652 -4.940 1.00 55.34 H ATOM 479 HD12 LEU A 34 -3.705 3.762 -6.698 1.00 25.24 H ATOM 480 HD13 LEU A 34 -2.855 4.937 -5.694 1.00 51.04 H ATOM 481 HD21 LEU A 34 -2.071 2.559 -3.679 1.00 53.03 H ATOM 482 HD22 LEU A 34 -1.026 3.928 -4.060 1.00 13.11 H ATOM 483 HD23 LEU A 34 -0.477 2.281 -4.378 1.00 72.45 H ATOM 484 N CYS A 35 -1.647 -1.790 -6.415 1.00 55.40 N ATOM 485 CA CYS A 35 -2.010 -3.028 -7.094 1.00 1.13 C ATOM 486 C CYS A 35 -3.525 -3.143 -7.242 1.00 11.13 C ATOM 487 O CYS A 35 -4.281 -2.607 -6.433 1.00 45.25 O ATOM 488 CB CYS A 35 -1.470 -4.234 -6.322 1.00 3.52 C ATOM 489 SG CYS A 35 0.299 -4.116 -5.901 1.00 24.35 S ATOM 490 H CYS A 35 -1.476 -1.807 -5.450 1.00 32.23 H ATOM 491 HA CYS A 35 -1.564 -3.011 -8.076 1.00 72.33 H ATOM 492 HB2 CYS A 35 -2.021 -4.336 -5.398 1.00 72.10 H ATOM 493 HB3 CYS A 35 -1.608 -5.125 -6.917 1.00 43.25 H ATOM 494 N ARG A 36 -3.960 -3.846 -8.282 1.00 44.14 N ATOM 495 CA ARG A 36 -5.383 -4.031 -8.539 1.00 13.02 C ATOM 496 C ARG A 36 -5.944 -5.168 -7.691 1.00 4.24 C ATOM 497 O ARG A 36 -5.838 -6.338 -8.056 1.00 54.12 O ATOM 498 CB ARG A 36 -5.623 -4.321 -10.022 1.00 3.14 C ATOM 499 CG ARG A 36 -5.330 -3.136 -10.928 1.00 65.30 C ATOM 500 CD ARG A 36 -6.114 -3.223 -12.228 1.00 44.00 C ATOM 501 NE ARG A 36 -5.716 -4.375 -13.033 1.00 13.52 N ATOM 502 CZ ARG A 36 -6.292 -4.701 -14.184 1.00 42.43 C ATOM 503 NH1 ARG A 36 -7.286 -3.966 -14.664 1.00 55.24 N1+ ATOM 504 NH2 ARG A 36 -5.873 -5.764 -14.859 1.00 4.52 N ATOM 505 H ARG A 36 -3.307 -4.251 -8.893 1.00 31.33 H ATOM 506 HA ARG A 36 -5.889 -3.116 -8.273 1.00 52.22 H ATOM 507 HB2 ARG A 36 -4.989 -5.141 -10.324 1.00 23.53 H ATOM 508 HB3 ARG A 36 -6.656 -4.604 -10.158 1.00 62.10 H ATOM 509 HG2 ARG A 36 -5.603 -2.226 -10.416 1.00 51.50 H ATOM 510 HG3 ARG A 36 -4.274 -3.121 -11.155 1.00 2.40 H ATOM 511 HD2 ARG A 36 -7.166 -3.305 -11.994 1.00 3.43 H ATOM 512 HD3 ARG A 36 -5.943 -2.321 -12.797 1.00 43.42 H ATOM 513 HE ARG A 36 -4.983 -4.931 -12.697 1.00 5.53 H ATOM 514 HH11 ARG A 36 -7.603 -3.165 -14.158 1.00 32.41 H ATOM 515 HH12 ARG A 36 -7.718 -4.214 -15.532 1.00 50.15 H ATOM 516 HH21 ARG A 36 -5.123 -6.320 -14.501 1.00 24.15 H ATOM 517 HH22 ARG A 36 -6.308 -6.010 -15.725 1.00 1.54 H