ATOM 1 N MET A 1 1.385 -0.020 0.291 1.00 61.14 N ATOM 2 CA MET A 1 2.102 0.020 -0.979 1.00 54.30 C ATOM 3 C MET A 1 3.164 -1.073 -1.039 1.00 10.41 C ATOM 4 O MET A 1 3.870 -1.321 -0.061 1.00 3.43 O ATOM 5 CB MET A 1 2.752 1.391 -1.179 1.00 20.22 C ATOM 6 CG MET A 1 3.710 1.777 -0.063 1.00 1.40 C ATOM 7 SD MET A 1 5.419 1.338 -0.432 1.00 51.55 S ATOM 8 CE MET A 1 6.235 2.914 -0.185 1.00 35.22 C ATOM 9 H MET A 1 1.750 -0.552 1.029 1.00 74.14 H ATOM 10 HA MET A 1 1.386 -0.147 -1.769 1.00 15.40 H ATOM 11 HB2 MET A 1 3.300 1.383 -2.109 1.00 4.54 H ATOM 12 HB3 MET A 1 1.977 2.140 -1.233 1.00 14.14 H ATOM 13 HG2 MET A 1 3.653 2.844 0.090 1.00 54.45 H ATOM 14 HG3 MET A 1 3.410 1.270 0.842 1.00 12.20 H ATOM 15 HE1 MET A 1 6.323 3.111 0.873 1.00 22.11 H ATOM 16 HE2 MET A 1 7.218 2.884 -0.631 1.00 11.55 H ATOM 17 HE3 MET A 1 5.651 3.697 -0.649 1.00 61.33 H ATOM 18 N CYS A 2 3.272 -1.725 -2.191 1.00 65.22 N ATOM 19 CA CYS A 2 4.247 -2.792 -2.379 1.00 20.05 C ATOM 20 C CYS A 2 5.625 -2.221 -2.699 1.00 4.54 C ATOM 21 O CYS A 2 6.647 -2.767 -2.286 1.00 4.35 O ATOM 22 CB CYS A 2 3.799 -3.730 -3.501 1.00 63.23 C ATOM 23 SG CYS A 2 4.631 -5.351 -3.492 1.00 13.21 S ATOM 24 H CYS A 2 2.681 -1.483 -2.935 1.00 75.25 H ATOM 25 HA CYS A 2 4.309 -3.351 -1.457 1.00 54.14 H ATOM 26 HB2 CYS A 2 2.737 -3.907 -3.410 1.00 13.22 H ATOM 27 HB3 CYS A 2 4.000 -3.262 -4.452 1.00 71.35 H ATOM 28 N MET A 3 5.643 -1.116 -3.438 1.00 45.01 N ATOM 29 CA MET A 3 6.896 -0.469 -3.813 1.00 52.23 C ATOM 30 C MET A 3 6.639 0.924 -4.380 1.00 23.10 C ATOM 31 O MET A 3 5.564 1.220 -4.902 1.00 20.11 O ATOM 32 CB MET A 3 7.648 -1.319 -4.839 1.00 74.12 C ATOM 33 CG MET A 3 7.092 -1.201 -6.249 1.00 63.41 C ATOM 34 SD MET A 3 8.035 -2.163 -7.450 1.00 2.44 S ATOM 35 CE MET A 3 9.664 -1.445 -7.251 1.00 45.55 C ATOM 36 H MET A 3 4.796 -0.727 -3.739 1.00 0.44 H ATOM 37 HA MET A 3 7.500 -0.376 -2.923 1.00 70.35 H ATOM 38 HB2 MET A 3 8.682 -1.011 -4.855 1.00 63.13 H ATOM 39 HB3 MET A 3 7.592 -2.355 -4.540 1.00 23.14 H ATOM 40 HG2 MET A 3 6.072 -1.554 -6.251 1.00 53.32 H ATOM 41 HG3 MET A 3 7.113 -0.163 -6.544 1.00 1.24 H ATOM 42 HE1 MET A 3 9.608 -0.601 -6.581 1.00 21.34 H ATOM 43 HE2 MET A 3 10.336 -2.185 -6.843 1.00 61.54 H ATOM 44 HE3 MET A 3 10.031 -1.116 -8.213 1.00 63.45 H ATOM 45 N PRO A 4 7.648 1.802 -4.277 1.00 22.41 N ATOM 46 CA PRO A 4 7.555 3.177 -4.774 1.00 23.31 C ATOM 47 C PRO A 4 7.525 3.242 -6.298 1.00 1.05 C ATOM 48 O PRO A 4 8.383 2.670 -6.970 1.00 42.21 O ATOM 49 CB PRO A 4 8.828 3.836 -4.236 1.00 25.11 C ATOM 50 CG PRO A 4 9.788 2.711 -4.052 1.00 51.45 C ATOM 51 CD PRO A 4 8.958 1.517 -3.667 1.00 11.41 C ATOM 52 HA PRO A 4 6.689 3.686 -4.376 1.00 24.43 H ATOM 53 HB2 PRO A 4 9.195 4.556 -4.953 1.00 61.33 H ATOM 54 HB3 PRO A 4 8.614 4.329 -3.299 1.00 71.44 H ATOM 55 HG2 PRO A 4 10.312 2.521 -4.976 1.00 72.30 H ATOM 56 HG3 PRO A 4 10.487 2.951 -3.265 1.00 34.11 H ATOM 57 HD2 PRO A 4 9.386 0.613 -4.075 1.00 15.24 H ATOM 58 HD3 PRO A 4 8.875 1.447 -2.592 1.00 72.12 H ATOM 59 N CYS A 5 6.533 3.943 -6.836 1.00 4.23 N ATOM 60 CA CYS A 5 6.391 4.084 -8.279 1.00 74.20 C ATOM 61 C CYS A 5 6.852 5.464 -8.740 1.00 64.10 C ATOM 62 O CYS A 5 7.104 6.350 -7.924 1.00 15.51 O ATOM 63 CB CYS A 5 4.935 3.856 -8.694 1.00 42.42 C ATOM 64 SG CYS A 5 4.742 3.045 -10.314 1.00 30.21 S ATOM 65 H CYS A 5 5.879 4.377 -6.247 1.00 1.03 H ATOM 66 HA CYS A 5 7.010 3.335 -8.749 1.00 23.14 H ATOM 67 HB2 CYS A 5 4.453 3.233 -7.955 1.00 54.03 H ATOM 68 HB3 CYS A 5 4.430 4.809 -8.741 1.00 14.14 H ATOM 69 N PHE A 6 6.962 5.637 -10.053 1.00 61.31 N ATOM 70 CA PHE A 6 7.394 6.907 -10.623 1.00 11.13 C ATOM 71 C PHE A 6 6.685 7.180 -11.946 1.00 22.31 C ATOM 72 O PHE A 6 6.718 6.357 -12.862 1.00 51.14 O ATOM 73 CB PHE A 6 8.910 6.907 -10.834 1.00 13.01 C ATOM 74 CG PHE A 6 9.693 7.006 -9.557 1.00 63.40 C ATOM 75 CD1 PHE A 6 10.200 8.223 -9.132 1.00 51.33 C ATOM 76 CD2 PHE A 6 9.924 5.882 -8.781 1.00 31.31 C ATOM 77 CE1 PHE A 6 10.921 8.318 -7.957 1.00 4.43 C ATOM 78 CE2 PHE A 6 10.643 5.971 -7.605 1.00 22.35 C ATOM 79 CZ PHE A 6 11.145 7.190 -7.193 1.00 34.35 C ATOM 80 H PHE A 6 6.748 4.892 -10.653 1.00 73.13 H ATOM 81 HA PHE A 6 7.138 7.688 -9.923 1.00 73.55 H ATOM 82 HB2 PHE A 6 9.197 5.991 -11.329 1.00 11.14 H ATOM 83 HB3 PHE A 6 9.180 7.747 -11.457 1.00 15.01 H ATOM 84 HD1 PHE A 6 10.026 9.107 -9.730 1.00 4.32 H ATOM 85 HD2 PHE A 6 9.533 4.927 -9.102 1.00 2.12 H ATOM 86 HE1 PHE A 6 11.311 9.274 -7.638 1.00 62.43 H ATOM 87 HE2 PHE A 6 10.816 5.087 -7.009 1.00 62.21 H ATOM 88 HZ PHE A 6 11.707 7.262 -6.274 1.00 51.43 H ATOM 89 N THR A 7 6.043 8.339 -12.039 1.00 52.30 N ATOM 90 CA THR A 7 5.324 8.720 -13.248 1.00 12.52 C ATOM 91 C THR A 7 6.289 9.105 -14.363 1.00 73.14 C ATOM 92 O THR A 7 6.034 8.839 -15.539 1.00 53.32 O ATOM 93 CB THR A 7 4.365 9.898 -12.985 1.00 60.31 C ATOM 94 OG1 THR A 7 5.097 11.022 -12.481 1.00 62.32 O ATOM 95 CG2 THR A 7 3.284 9.503 -11.990 1.00 21.32 C ATOM 96 H THR A 7 6.053 8.953 -11.275 1.00 2.23 H ATOM 97 HA THR A 7 4.737 7.872 -13.569 1.00 25.02 H ATOM 98 HB THR A 7 3.893 10.173 -13.917 1.00 13.03 H ATOM 99 HG1 THR A 7 5.083 11.729 -13.131 1.00 50.10 H ATOM 100 HG21 THR A 7 3.725 8.928 -11.190 1.00 33.24 H ATOM 101 HG22 THR A 7 2.534 8.909 -12.491 1.00 1.34 H ATOM 102 HG23 THR A 7 2.827 10.393 -11.584 1.00 63.31 H ATOM 103 N THR A 8 7.399 9.733 -13.989 1.00 1.00 N ATOM 104 CA THR A 8 8.402 10.155 -14.958 1.00 60.33 C ATOM 105 C THR A 8 9.172 8.959 -15.509 1.00 53.42 C ATOM 106 O THR A 8 9.740 9.025 -16.598 1.00 64.45 O ATOM 107 CB THR A 8 9.400 11.150 -14.337 1.00 54.50 C ATOM 108 OG1 THR A 8 10.288 11.647 -15.343 1.00 44.03 O ATOM 109 CG2 THR A 8 10.202 10.490 -13.226 1.00 4.11 C ATOM 110 H THR A 8 7.545 9.916 -13.038 1.00 15.32 H ATOM 111 HA THR A 8 7.892 10.649 -15.773 1.00 2.23 H ATOM 112 HB THR A 8 8.845 11.978 -13.917 1.00 41.13 H ATOM 113 HG1 THR A 8 10.788 12.387 -14.992 1.00 42.43 H ATOM 114 HG21 THR A 8 10.455 11.226 -12.477 1.00 54.43 H ATOM 115 HG22 THR A 8 11.108 10.070 -13.638 1.00 2.14 H ATOM 116 HG23 THR A 8 9.614 9.706 -12.774 1.00 74.13 H ATOM 117 N ASP A 9 9.184 7.870 -14.750 1.00 21.34 N ATOM 118 CA ASP A 9 9.883 6.658 -15.163 1.00 12.04 C ATOM 119 C ASP A 9 8.973 5.767 -16.002 1.00 61.42 C ATOM 120 O ASP A 9 7.814 5.541 -15.654 1.00 12.44 O ATOM 121 CB ASP A 9 10.384 5.890 -13.939 1.00 52.22 C ATOM 122 CG ASP A 9 11.448 6.650 -13.174 1.00 4.24 C ATOM 123 OD1 ASP A 9 12.589 6.149 -13.088 1.00 2.11 O ATOM 124 OD2 ASP A 9 11.141 7.747 -12.660 1.00 44.10 O1- ATOM 125 H ASP A 9 8.712 7.880 -13.891 1.00 2.15 H ATOM 126 HA ASP A 9 10.731 6.952 -15.763 1.00 55.21 H ATOM 127 HB2 ASP A 9 9.553 5.704 -13.274 1.00 2.03 H ATOM 128 HB3 ASP A 9 10.801 4.946 -14.260 1.00 52.11 H ATOM 129 N HIS A 10 9.506 5.262 -17.110 1.00 43.01 N ATOM 130 CA HIS A 10 8.742 4.394 -18.000 1.00 62.24 C ATOM 131 C HIS A 10 8.979 2.925 -17.662 1.00 53.43 C ATOM 132 O HIS A 10 8.069 2.103 -17.760 1.00 31.54 O ATOM 133 CB HIS A 10 9.121 4.662 -19.457 1.00 31.21 C ATOM 134 CG HIS A 10 8.075 4.227 -20.437 1.00 13.22 C ATOM 135 ND1 HIS A 10 6.849 4.848 -20.554 1.00 61.15 N ATOM 136 CD2 HIS A 10 8.078 3.228 -21.350 1.00 41.34 C ATOM 137 CE1 HIS A 10 6.143 4.249 -21.496 1.00 72.53 C ATOM 138 NE2 HIS A 10 6.866 3.262 -21.995 1.00 64.11 N ATOM 139 H HIS A 10 10.435 5.477 -17.335 1.00 40.51 H ATOM 140 HA HIS A 10 7.695 4.618 -17.863 1.00 21.14 H ATOM 141 HB2 HIS A 10 9.282 5.721 -19.591 1.00 15.41 H ATOM 142 HB3 HIS A 10 10.034 4.132 -19.688 1.00 4.24 H ATOM 143 HD1 HIS A 10 6.542 5.613 -20.025 1.00 3.22 H ATOM 144 HD2 HIS A 10 8.884 2.532 -21.537 1.00 74.25 H ATOM 145 HE1 HIS A 10 5.145 4.519 -21.806 1.00 61.01 H ATOM 146 N GLN A 11 10.207 2.604 -17.266 1.00 53.33 N ATOM 147 CA GLN A 11 10.563 1.235 -16.915 1.00 74.14 C ATOM 148 C GLN A 11 10.130 0.908 -15.491 1.00 32.21 C ATOM 149 O GLN A 11 10.083 -0.258 -15.098 1.00 21.34 O ATOM 150 CB GLN A 11 12.070 1.022 -17.064 1.00 43.54 C ATOM 151 CG GLN A 11 12.905 2.026 -16.286 1.00 43.54 C ATOM 152 CD GLN A 11 14.360 1.615 -16.177 1.00 64.12 C ATOM 153 OE1 GLN A 11 14.722 0.480 -16.491 1.00 53.20 O ATOM 154 NE2 GLN A 11 15.205 2.537 -15.730 1.00 34.11 N ATOM 155 H GLN A 11 10.889 3.305 -17.209 1.00 21.03 H ATOM 156 HA GLN A 11 10.047 0.574 -17.596 1.00 15.23 H ATOM 157 HB2 GLN A 11 12.319 0.032 -16.715 1.00 73.33 H ATOM 158 HB3 GLN A 11 12.331 1.104 -18.110 1.00 24.02 H ATOM 159 HG2 GLN A 11 12.855 2.982 -16.786 1.00 63.04 H ATOM 160 HG3 GLN A 11 12.496 2.120 -15.291 1.00 63.33 H ATOM 161 HE21 GLN A 11 14.846 3.419 -15.498 1.00 15.12 H ATOM 162 HE22 GLN A 11 16.150 2.298 -15.648 1.00 62.42 H ATOM 163 N MET A 12 9.813 1.943 -14.720 1.00 45.43 N ATOM 164 CA MET A 12 9.383 1.765 -13.339 1.00 41.10 C ATOM 165 C MET A 12 8.058 1.014 -13.275 1.00 14.12 C ATOM 166 O MET A 12 7.831 0.213 -12.369 1.00 20.41 O ATOM 167 CB MET A 12 9.249 3.122 -12.645 1.00 13.42 C ATOM 168 CG MET A 12 8.807 3.021 -11.194 1.00 3.42 C ATOM 169 SD MET A 12 10.028 2.198 -10.153 1.00 34.23 S ATOM 170 CE MET A 12 8.993 1.023 -9.282 1.00 44.15 C ATOM 171 H MET A 12 9.870 2.850 -15.091 1.00 23.24 H ATOM 172 HA MET A 12 10.137 1.185 -12.830 1.00 24.11 H ATOM 173 HB2 MET A 12 10.203 3.625 -12.675 1.00 10.25 H ATOM 174 HB3 MET A 12 8.521 3.716 -13.179 1.00 64.23 H ATOM 175 HG2 MET A 12 8.644 4.018 -10.811 1.00 14.24 H ATOM 176 HG3 MET A 12 7.883 2.465 -11.151 1.00 32.30 H ATOM 177 HE1 MET A 12 7.962 1.337 -9.345 1.00 33.32 H ATOM 178 HE2 MET A 12 9.101 0.048 -9.732 1.00 73.40 H ATOM 179 HE3 MET A 12 9.294 0.978 -8.246 1.00 50.41 H ATOM 180 N ALA A 13 7.185 1.280 -14.242 1.00 20.32 N ATOM 181 CA ALA A 13 5.882 0.628 -14.295 1.00 61.02 C ATOM 182 C ALA A 13 6.025 -0.889 -14.237 1.00 65.44 C ATOM 183 O ALA A 13 5.195 -1.578 -13.643 1.00 61.00 O ATOM 184 CB ALA A 13 5.136 1.041 -15.555 1.00 41.50 C ATOM 185 H ALA A 13 7.423 1.929 -14.935 1.00 54.24 H ATOM 186 HA ALA A 13 5.308 0.958 -13.441 1.00 40.02 H ATOM 187 HB1 ALA A 13 4.703 2.021 -15.410 1.00 4.12 H ATOM 188 HB2 ALA A 13 5.823 1.071 -16.387 1.00 21.51 H ATOM 189 HB3 ALA A 13 4.352 0.328 -15.759 1.00 41.25 H ATOM 190 N ARG A 14 7.082 -1.403 -14.858 1.00 61.42 N ATOM 191 CA ARG A 14 7.331 -2.840 -14.879 1.00 4.12 C ATOM 192 C ARG A 14 7.462 -3.389 -13.461 1.00 73.12 C ATOM 193 O ARG A 14 6.705 -4.271 -13.053 1.00 51.32 O ATOM 194 CB ARG A 14 8.602 -3.146 -15.675 1.00 70.30 C ATOM 195 CG ARG A 14 8.635 -4.554 -16.249 1.00 3.53 C ATOM 196 CD ARG A 14 9.450 -4.613 -17.532 1.00 31.05 C ATOM 197 NE ARG A 14 10.016 -5.940 -17.760 1.00 71.02 N ATOM 198 CZ ARG A 14 10.751 -6.252 -18.821 1.00 73.14 C ATOM 199 NH1 ARG A 14 11.007 -5.338 -19.747 1.00 12.21 N1+ ATOM 200 NH2 ARG A 14 11.230 -7.482 -18.959 1.00 43.21 N ATOM 201 H ARG A 14 7.708 -0.804 -15.314 1.00 11.41 H ATOM 202 HA ARG A 14 6.492 -3.317 -15.361 1.00 53.42 H ATOM 203 HB2 ARG A 14 8.677 -2.446 -16.493 1.00 62.34 H ATOM 204 HB3 ARG A 14 9.456 -3.025 -15.027 1.00 32.32 H ATOM 205 HG2 ARG A 14 9.080 -5.219 -15.523 1.00 14.32 H ATOM 206 HG3 ARG A 14 7.625 -4.871 -16.459 1.00 64.15 H ATOM 207 HD2 ARG A 14 8.809 -4.358 -18.362 1.00 2.11 H ATOM 208 HD3 ARG A 14 10.254 -3.895 -17.464 1.00 61.05 H ATOM 209 HE ARG A 14 9.839 -6.631 -17.089 1.00 12.31 H ATOM 210 HH11 ARG A 14 10.648 -4.411 -19.646 1.00 13.11 H ATOM 211 HH12 ARG A 14 11.562 -5.576 -20.545 1.00 54.33 H ATOM 212 HH21 ARG A 14 11.039 -8.174 -18.264 1.00 3.13 H ATOM 213 HH22 ARG A 14 11.783 -7.716 -19.759 1.00 22.33 H ATOM 214 N LYS A 15 8.428 -2.864 -12.715 1.00 53.05 N ATOM 215 CA LYS A 15 8.658 -3.300 -11.343 1.00 32.42 C ATOM 216 C LYS A 15 7.385 -3.175 -10.512 1.00 33.31 C ATOM 217 O LYS A 15 7.049 -4.070 -9.734 1.00 53.12 O ATOM 218 CB LYS A 15 9.778 -2.476 -10.706 1.00 1.14 C ATOM 219 CG LYS A 15 11.169 -2.890 -11.154 1.00 62.52 C ATOM 220 CD LYS A 15 12.104 -1.696 -11.246 1.00 62.43 C ATOM 221 CE LYS A 15 11.760 -0.810 -12.433 1.00 42.23 C ATOM 222 NZ LYS A 15 12.762 -0.934 -13.528 1.00 31.31 N1+ ATOM 223 H LYS A 15 8.998 -2.164 -13.097 1.00 5.22 H ATOM 224 HA LYS A 15 8.956 -4.337 -11.370 1.00 12.41 H ATOM 225 HB2 LYS A 15 9.635 -1.436 -10.961 1.00 65.25 H ATOM 226 HB3 LYS A 15 9.722 -2.583 -9.631 1.00 61.53 H ATOM 227 HG2 LYS A 15 11.572 -3.595 -10.441 1.00 44.42 H ATOM 228 HG3 LYS A 15 11.099 -3.358 -12.125 1.00 63.13 H ATOM 229 HD2 LYS A 15 12.022 -1.113 -10.342 1.00 35.34 H ATOM 230 HD3 LYS A 15 13.119 -2.053 -11.356 1.00 43.40 H ATOM 231 HE2 LYS A 15 10.790 -1.096 -12.811 1.00 42.01 H ATOM 232 HE3 LYS A 15 11.728 0.218 -12.102 1.00 31.51 H ATOM 233 HZ1 LYS A 15 13.093 -1.918 -13.599 1.00 32.11 H ATOM 234 HZ2 LYS A 15 13.578 -0.319 -13.337 1.00 43.32 H ATOM 235 HZ3 LYS A 15 12.336 -0.658 -14.436 1.00 5.34 H ATOM 236 N CYS A 16 6.679 -2.063 -10.681 1.00 3.31 N ATOM 237 CA CYS A 16 5.442 -1.822 -9.947 1.00 42.35 C ATOM 238 C CYS A 16 4.493 -3.009 -10.077 1.00 44.12 C ATOM 239 O CYS A 16 3.962 -3.504 -9.083 1.00 25.33 O ATOM 240 CB CYS A 16 4.761 -0.551 -10.460 1.00 33.01 C ATOM 241 SG CYS A 16 3.015 -0.391 -9.962 1.00 23.31 S ATOM 242 H CYS A 16 6.998 -1.386 -11.316 1.00 60.30 H ATOM 243 HA CYS A 16 5.694 -1.689 -8.906 1.00 65.44 H ATOM 244 HB2 CYS A 16 5.290 0.310 -10.080 1.00 64.11 H ATOM 245 HB3 CYS A 16 4.797 -0.543 -11.540 1.00 1.13 H ATOM 246 N ASP A 17 4.284 -3.461 -11.309 1.00 30.21 N ATOM 247 CA ASP A 17 3.401 -4.591 -11.568 1.00 74.33 C ATOM 248 C ASP A 17 3.991 -5.883 -11.012 1.00 20.44 C ATOM 249 O ASP A 17 3.265 -6.754 -10.532 1.00 54.11 O ATOM 250 CB ASP A 17 3.151 -4.736 -13.070 1.00 61.34 C ATOM 251 CG ASP A 17 2.715 -3.435 -13.713 1.00 41.41 C ATOM 252 OD1 ASP A 17 2.950 -3.264 -14.928 1.00 23.12 O ATOM 253 OD2 ASP A 17 2.137 -2.587 -13.002 1.00 73.12 O1- ATOM 254 H ASP A 17 4.736 -3.025 -12.061 1.00 20.24 H ATOM 255 HA ASP A 17 2.460 -4.398 -11.074 1.00 70.12 H ATOM 256 HB2 ASP A 17 4.062 -5.065 -13.550 1.00 60.14 H ATOM 257 HB3 ASP A 17 2.378 -5.474 -13.231 1.00 43.02 H ATOM 258 N ASP A 18 5.313 -6.001 -11.079 1.00 1.53 N ATOM 259 CA ASP A 18 6.001 -7.186 -10.581 1.00 43.23 C ATOM 260 C ASP A 18 5.728 -7.389 -9.094 1.00 73.15 C ATOM 261 O ASP A 18 5.314 -8.468 -8.671 1.00 70.42 O ATOM 262 CB ASP A 18 7.507 -7.066 -10.824 1.00 12.25 C ATOM 263 CG ASP A 18 8.193 -8.416 -10.883 1.00 72.42 C ATOM 264 OD1 ASP A 18 9.159 -8.625 -10.120 1.00 72.02 O ATOM 265 OD2 ASP A 18 7.765 -9.265 -11.695 1.00 1.52 O1- ATOM 266 H ASP A 18 5.838 -5.272 -11.472 1.00 42.55 H ATOM 267 HA ASP A 18 5.626 -8.039 -11.124 1.00 30.43 H ATOM 268 HB2 ASP A 18 7.675 -6.555 -11.760 1.00 71.53 H ATOM 269 HB3 ASP A 18 7.949 -6.492 -10.022 1.00 23.01 H ATOM 270 N CYS A 19 5.962 -6.345 -8.306 1.00 74.32 N ATOM 271 CA CYS A 19 5.742 -6.409 -6.866 1.00 61.35 C ATOM 272 C CYS A 19 4.323 -6.875 -6.553 1.00 64.12 C ATOM 273 O CYS A 19 4.095 -7.594 -5.580 1.00 71.41 O ATOM 274 CB CYS A 19 5.993 -5.041 -6.231 1.00 12.25 C ATOM 275 SG CYS A 19 6.378 -5.107 -4.451 1.00 61.50 S ATOM 276 H CYS A 19 6.291 -5.511 -8.703 1.00 52.24 H ATOM 277 HA CYS A 19 6.441 -7.121 -6.455 1.00 12.02 H ATOM 278 HB2 CYS A 19 6.827 -4.568 -6.728 1.00 43.44 H ATOM 279 HB3 CYS A 19 5.112 -4.428 -6.354 1.00 44.30 H ATOM 280 N CYS A 20 3.373 -6.461 -7.384 1.00 43.21 N ATOM 281 CA CYS A 20 1.977 -6.836 -7.198 1.00 13.54 C ATOM 282 C CYS A 20 1.773 -8.326 -7.457 1.00 3.21 C ATOM 283 O CYS A 20 0.864 -8.943 -6.905 1.00 31.20 O ATOM 284 CB CYS A 20 1.079 -6.017 -8.127 1.00 71.44 C ATOM 285 SG CYS A 20 1.056 -4.233 -7.760 1.00 62.14 S ATOM 286 H CYS A 20 3.617 -5.889 -8.143 1.00 13.34 H ATOM 287 HA CYS A 20 1.710 -6.621 -6.173 1.00 50.45 H ATOM 288 HB2 CYS A 20 1.422 -6.138 -9.145 1.00 1.51 H ATOM 289 HB3 CYS A 20 0.066 -6.383 -8.050 1.00 54.53 H ATOM 290 N GLY A 21 2.628 -8.896 -8.300 1.00 71.21 N ATOM 291 CA GLY A 21 2.525 -10.308 -8.618 1.00 63.31 C ATOM 292 C GLY A 21 3.316 -10.682 -9.857 1.00 31.25 C ATOM 293 O GLY A 21 4.352 -11.339 -9.765 1.00 4.44 O ATOM 294 H GLY A 21 3.334 -8.353 -8.711 1.00 15.03 H ATOM 295 HA2 GLY A 21 2.894 -10.882 -7.781 1.00 21.32 H ATOM 296 HA3 GLY A 21 1.486 -10.554 -8.781 1.00 45.10 H ATOM 297 N GLY A 22 2.824 -10.266 -11.019 1.00 45.41 N ATOM 298 CA GLY A 22 3.505 -10.572 -12.265 1.00 34.14 C ATOM 299 C GLY A 22 3.275 -9.514 -13.325 1.00 73.32 C ATOM 300 O GLY A 22 2.466 -8.604 -13.142 1.00 61.24 O ATOM 301 H GLY A 22 1.994 -9.745 -11.032 1.00 60.10 H ATOM 302 HA2 GLY A 22 4.564 -10.652 -12.073 1.00 2.10 H ATOM 303 HA3 GLY A 22 3.142 -11.520 -12.634 1.00 24.21 H ATOM 304 N LYS A 23 3.990 -9.632 -14.440 1.00 3.23 N ATOM 305 CA LYS A 23 3.862 -8.678 -15.536 1.00 20.35 C ATOM 306 C LYS A 23 2.401 -8.505 -15.938 1.00 22.43 C ATOM 307 O LYS A 23 1.744 -9.459 -16.355 1.00 2.32 O ATOM 308 CB LYS A 23 4.683 -9.142 -16.741 1.00 72.33 C ATOM 309 CG LYS A 23 4.869 -8.068 -17.798 1.00 64.12 C ATOM 310 CD LYS A 23 6.048 -8.380 -18.706 1.00 52.32 C ATOM 311 CE LYS A 23 5.794 -9.625 -19.542 1.00 45.02 C ATOM 312 NZ LYS A 23 6.804 -9.781 -20.625 1.00 51.44 N1+ ATOM 313 H LYS A 23 4.619 -10.379 -14.527 1.00 3.22 H ATOM 314 HA LYS A 23 4.244 -7.728 -15.194 1.00 40.43 H ATOM 315 HB2 LYS A 23 5.658 -9.455 -16.398 1.00 34.30 H ATOM 316 HB3 LYS A 23 4.184 -9.985 -17.198 1.00 10.51 H ATOM 317 HG2 LYS A 23 3.974 -8.006 -18.399 1.00 33.44 H ATOM 318 HG3 LYS A 23 5.044 -7.121 -17.310 1.00 3.51 H ATOM 319 HD2 LYS A 23 6.212 -7.542 -19.368 1.00 62.25 H ATOM 320 HD3 LYS A 23 6.928 -8.538 -18.099 1.00 13.45 H ATOM 321 HE2 LYS A 23 5.834 -10.489 -18.898 1.00 23.11 H ATOM 322 HE3 LYS A 23 4.812 -9.551 -19.984 1.00 53.04 H ATOM 323 HZ1 LYS A 23 6.328 -9.892 -21.544 1.00 22.05 H ATOM 324 HZ2 LYS A 23 7.392 -10.620 -20.449 1.00 23.14 H ATOM 325 HZ3 LYS A 23 7.418 -8.943 -20.665 1.00 40.52 H ATOM 326 N GLY A 24 1.897 -7.281 -15.811 1.00 4.40 N ATOM 327 CA GLY A 24 0.518 -7.005 -16.167 1.00 75.05 C ATOM 328 C GLY A 24 -0.379 -6.870 -14.952 1.00 42.01 C ATOM 329 O GLY A 24 -1.459 -6.285 -15.032 1.00 52.53 O ATOM 330 H GLY A 24 2.468 -6.558 -15.474 1.00 25.55 H ATOM 331 HA2 GLY A 24 0.481 -6.087 -16.734 1.00 12.33 H ATOM 332 HA3 GLY A 24 0.149 -7.812 -16.784 1.00 2.34 H ATOM 333 N ARG A 25 0.070 -7.413 -13.825 1.00 15.22 N ATOM 334 CA ARG A 25 -0.701 -7.353 -12.590 1.00 10.45 C ATOM 335 C ARG A 25 -0.302 -6.136 -11.759 1.00 52.41 C ATOM 336 O ARG A 25 0.854 -5.993 -11.363 1.00 73.24 O ATOM 337 CB ARG A 25 -0.497 -8.629 -11.773 1.00 71.43 C ATOM 338 CG ARG A 25 -0.516 -9.897 -12.612 1.00 22.35 C ATOM 339 CD ARG A 25 -1.148 -11.056 -11.856 1.00 4.34 C ATOM 340 NE ARG A 25 -1.292 -12.243 -12.694 1.00 25.31 N ATOM 341 CZ ARG A 25 -1.689 -13.424 -12.234 1.00 43.12 C ATOM 342 NH1 ARG A 25 -1.980 -13.575 -10.949 1.00 62.53 N1+ ATOM 343 NH2 ARG A 25 -1.795 -14.457 -13.059 1.00 50.14 N ATOM 344 H ARG A 25 0.938 -7.866 -13.824 1.00 43.44 H ATOM 345 HA ARG A 25 -1.745 -7.267 -12.852 1.00 53.35 H ATOM 346 HB2 ARG A 25 0.456 -8.573 -11.268 1.00 52.51 H ATOM 347 HB3 ARG A 25 -1.283 -8.701 -11.035 1.00 44.52 H ATOM 348 HG2 ARG A 25 -1.085 -9.715 -13.510 1.00 71.44 H ATOM 349 HG3 ARG A 25 0.499 -10.160 -12.872 1.00 42.22 H ATOM 350 HD2 ARG A 25 -0.524 -11.300 -11.008 1.00 43.41 H ATOM 351 HD3 ARG A 25 -2.123 -10.751 -11.508 1.00 72.52 H ATOM 352 HE ARG A 25 -1.082 -12.153 -13.647 1.00 71.42 H ATOM 353 HH11 ARG A 25 -1.900 -12.798 -10.325 1.00 14.34 H ATOM 354 HH12 ARG A 25 -2.279 -14.466 -10.606 1.00 2.50 H ATOM 355 HH21 ARG A 25 -1.577 -14.348 -14.029 1.00 12.23 H ATOM 356 HH22 ARG A 25 -2.094 -15.346 -12.713 1.00 22.24 H ATOM 357 N GLY A 26 -1.269 -5.260 -11.499 1.00 12.23 N ATOM 358 CA GLY A 26 -0.999 -4.068 -10.718 1.00 3.25 C ATOM 359 C GLY A 26 -1.177 -2.795 -11.522 1.00 24.32 C ATOM 360 O GLY A 26 -1.546 -2.840 -12.696 1.00 11.13 O ATOM 361 H GLY A 26 -2.173 -5.426 -11.840 1.00 43.32 H ATOM 362 HA2 GLY A 26 -1.670 -4.043 -9.873 1.00 32.44 H ATOM 363 HA3 GLY A 26 0.018 -4.111 -10.355 1.00 64.11 H ATOM 364 N LYS A 27 -0.914 -1.656 -10.890 1.00 24.11 N ATOM 365 CA LYS A 27 -1.047 -0.364 -11.554 1.00 32.04 C ATOM 366 C LYS A 27 -0.194 0.694 -10.860 1.00 61.25 C ATOM 367 O LYS A 27 0.100 0.586 -9.670 1.00 41.23 O ATOM 368 CB LYS A 27 -2.512 0.077 -11.567 1.00 32.44 C ATOM 369 CG LYS A 27 -2.910 0.828 -12.826 1.00 22.41 C ATOM 370 CD LYS A 27 -4.324 0.482 -13.258 1.00 55.25 C ATOM 371 CE LYS A 27 -4.355 -0.776 -14.113 1.00 3.41 C ATOM 372 NZ LYS A 27 -3.754 -0.548 -15.456 1.00 54.24 N1+ ATOM 373 H LYS A 27 -0.622 -1.685 -9.954 1.00 41.42 H ATOM 374 HA LYS A 27 -0.704 -0.477 -12.570 1.00 61.03 H ATOM 375 HB2 LYS A 27 -3.140 -0.798 -11.482 1.00 64.22 H ATOM 376 HB3 LYS A 27 -2.690 0.720 -10.718 1.00 21.32 H ATOM 377 HG2 LYS A 27 -2.853 1.889 -12.634 1.00 34.13 H ATOM 378 HG3 LYS A 27 -2.226 0.567 -13.621 1.00 32.04 H ATOM 379 HD2 LYS A 27 -4.932 0.320 -12.380 1.00 4.44 H ATOM 380 HD3 LYS A 27 -4.729 1.305 -13.830 1.00 42.23 H ATOM 381 HE2 LYS A 27 -3.800 -1.552 -13.608 1.00 23.42 H ATOM 382 HE3 LYS A 27 -5.381 -1.088 -14.235 1.00 60.13 H ATOM 383 HZ1 LYS A 27 -3.006 0.172 -15.396 1.00 33.13 H ATOM 384 HZ2 LYS A 27 -4.482 -0.220 -16.122 1.00 74.00 H ATOM 385 HZ3 LYS A 27 -3.342 -1.431 -15.818 1.00 22.22 H ATOM 386 N CYS A 28 0.201 1.715 -11.614 1.00 33.30 N ATOM 387 CA CYS A 28 1.019 2.793 -11.073 1.00 64.20 C ATOM 388 C CYS A 28 0.185 4.051 -10.851 1.00 13.13 C ATOM 389 O CYS A 28 -0.227 4.713 -11.804 1.00 62.20 O ATOM 390 CB CYS A 28 2.183 3.101 -12.017 1.00 65.11 C ATOM 391 SG CYS A 28 3.442 4.210 -11.308 1.00 14.21 S ATOM 392 H CYS A 28 -0.066 1.745 -12.557 1.00 41.24 H ATOM 393 HA CYS A 28 1.413 2.466 -10.123 1.00 44.02 H ATOM 394 HB2 CYS A 28 2.675 2.175 -12.283 1.00 14.45 H ATOM 395 HB3 CYS A 28 1.798 3.567 -12.911 1.00 4.33 H ATOM 396 N TYR A 29 -0.062 4.375 -9.587 1.00 12.13 N ATOM 397 CA TYR A 29 -0.849 5.552 -9.238 1.00 54.10 C ATOM 398 C TYR A 29 -0.099 6.434 -8.244 1.00 74.01 C ATOM 399 O TYR A 29 0.093 6.062 -7.088 1.00 21.41 O ATOM 400 CB TYR A 29 -2.198 5.134 -8.650 1.00 42.54 C ATOM 401 CG TYR A 29 -3.142 4.534 -9.667 1.00 45.23 C ATOM 402 CD1 TYR A 29 -3.548 3.209 -9.570 1.00 34.12 C ATOM 403 CD2 TYR A 29 -3.627 5.292 -10.726 1.00 62.43 C ATOM 404 CE1 TYR A 29 -4.410 2.655 -10.497 1.00 13.32 C ATOM 405 CE2 TYR A 29 -4.490 4.747 -11.658 1.00 31.12 C ATOM 406 CZ TYR A 29 -4.878 3.428 -11.539 1.00 13.41 C ATOM 407 OH TYR A 29 -5.737 2.883 -12.465 1.00 30.43 O ATOM 408 H TYR A 29 0.293 3.809 -8.870 1.00 31.15 H ATOM 409 HA TYR A 29 -1.021 6.116 -10.143 1.00 62.24 H ATOM 410 HB2 TYR A 29 -2.034 4.399 -7.878 1.00 4.12 H ATOM 411 HB3 TYR A 29 -2.680 6.000 -8.221 1.00 4.13 H ATOM 412 HD1 TYR A 29 -3.179 2.606 -8.753 1.00 34.10 H ATOM 413 HD2 TYR A 29 -3.319 6.323 -10.817 1.00 55.44 H ATOM 414 HE1 TYR A 29 -4.715 1.624 -10.404 1.00 64.52 H ATOM 415 HE2 TYR A 29 -4.856 5.352 -12.473 1.00 70.25 H ATOM 416 HH TYR A 29 -6.621 3.231 -12.326 1.00 34.11 H ATOM 417 N GLY A 30 0.321 7.609 -8.705 1.00 73.23 N ATOM 418 CA GLY A 30 1.044 8.528 -7.844 1.00 75.55 C ATOM 419 C GLY A 30 2.471 8.083 -7.591 1.00 55.41 C ATOM 420 O GLY A 30 3.048 7.310 -8.356 1.00 44.54 O ATOM 421 H GLY A 30 0.139 7.853 -9.636 1.00 55.31 H ATOM 422 HA2 GLY A 30 1.058 9.503 -8.309 1.00 23.51 H ATOM 423 HA3 GLY A 30 0.527 8.597 -6.898 1.00 4.20 H ATOM 424 N PRO A 31 3.063 8.578 -6.494 1.00 73.33 N ATOM 425 CA PRO A 31 4.439 8.242 -6.117 1.00 43.14 C ATOM 426 C PRO A 31 4.577 6.794 -5.659 1.00 12.34 C ATOM 427 O PRO A 31 5.677 6.244 -5.637 1.00 71.01 O ATOM 428 CB PRO A 31 4.734 9.200 -4.962 1.00 11.54 C ATOM 429 CG PRO A 31 3.399 9.520 -4.384 1.00 21.14 C ATOM 430 CD PRO A 31 2.434 9.504 -5.537 1.00 72.01 C ATOM 431 HA PRO A 31 5.129 8.428 -6.928 1.00 2.41 H ATOM 432 HB2 PRO A 31 5.371 8.711 -4.238 1.00 63.31 H ATOM 433 HB3 PRO A 31 5.223 10.086 -5.339 1.00 63.04 H ATOM 434 HG2 PRO A 31 3.126 8.773 -3.656 1.00 34.33 H ATOM 435 HG3 PRO A 31 3.421 10.500 -3.929 1.00 30.22 H ATOM 436 HD2 PRO A 31 1.471 9.134 -5.219 1.00 4.13 H ATOM 437 HD3 PRO A 31 2.339 10.492 -5.964 1.00 34.24 H ATOM 438 N GLN A 32 3.454 6.185 -5.292 1.00 24.42 N ATOM 439 CA GLN A 32 3.452 4.801 -4.833 1.00 72.22 C ATOM 440 C GLN A 32 2.773 3.891 -5.851 1.00 34.31 C ATOM 441 O GLN A 32 2.011 4.352 -6.701 1.00 54.23 O ATOM 442 CB GLN A 32 2.743 4.692 -3.482 1.00 24.33 C ATOM 443 CG GLN A 32 3.439 5.455 -2.366 1.00 54.33 C ATOM 444 CD GLN A 32 2.600 5.542 -1.107 1.00 11.12 C ATOM 445 OE1 GLN A 32 3.051 5.177 -0.020 1.00 63.11 O ATOM 446 NE2 GLN A 32 1.372 6.025 -1.245 1.00 54.22 N ATOM 447 H GLN A 32 2.609 6.678 -5.331 1.00 31.43 H ATOM 448 HA GLN A 32 4.478 4.489 -4.718 1.00 24.43 H ATOM 449 HB2 GLN A 32 1.740 5.076 -3.582 1.00 14.54 H ATOM 450 HB3 GLN A 32 2.694 3.650 -3.198 1.00 42.10 H ATOM 451 HG2 GLN A 32 4.367 4.957 -2.129 1.00 35.42 H ATOM 452 HG3 GLN A 32 3.648 6.457 -2.712 1.00 4.55 H ATOM 453 HE21 GLN A 32 1.079 6.295 -2.142 1.00 11.44 H ATOM 454 HE22 GLN A 32 0.808 6.091 -0.448 1.00 14.22 H ATOM 455 N CYS A 33 3.055 2.596 -5.760 1.00 31.22 N ATOM 456 CA CYS A 33 2.472 1.620 -6.674 1.00 4.23 C ATOM 457 C CYS A 33 1.274 0.923 -6.034 1.00 42.43 C ATOM 458 O CYS A 33 1.404 0.258 -5.006 1.00 3.41 O ATOM 459 CB CYS A 33 3.521 0.582 -7.080 1.00 45.11 C ATOM 460 SG CYS A 33 2.849 -0.823 -8.024 1.00 44.02 S ATOM 461 H CYS A 33 3.670 2.287 -5.061 1.00 11.45 H ATOM 462 HA CYS A 33 2.140 2.147 -7.555 1.00 22.44 H ATOM 463 HB2 CYS A 33 4.270 1.062 -7.695 1.00 21.42 H ATOM 464 HB3 CYS A 33 3.990 0.188 -6.191 1.00 63.41 H ATOM 465 N LEU A 34 0.108 1.081 -6.651 1.00 13.22 N ATOM 466 CA LEU A 34 -1.115 0.469 -6.143 1.00 63.23 C ATOM 467 C LEU A 34 -1.530 -0.716 -7.010 1.00 51.42 C ATOM 468 O LEU A 34 -1.695 -0.584 -8.223 1.00 24.01 O ATOM 469 CB LEU A 34 -2.243 1.500 -6.094 1.00 32.10 C ATOM 470 CG LEU A 34 -1.870 2.878 -5.547 1.00 43.54 C ATOM 471 CD1 LEU A 34 -3.078 3.800 -5.553 1.00 14.04 C ATOM 472 CD2 LEU A 34 -1.294 2.758 -4.144 1.00 70.22 C ATOM 473 H LEU A 34 0.067 1.622 -7.466 1.00 45.35 H ATOM 474 HA LEU A 34 -0.917 0.115 -5.142 1.00 40.11 H ATOM 475 HB2 LEU A 34 -2.613 1.632 -7.099 1.00 35.14 H ATOM 476 HB3 LEU A 34 -3.030 1.098 -5.471 1.00 40.13 H ATOM 477 HG LEU A 34 -1.112 3.317 -6.184 1.00 15.14 H ATOM 478 HD11 LEU A 34 -2.750 4.824 -5.459 1.00 55.34 H ATOM 479 HD12 LEU A 34 -3.725 3.552 -4.723 1.00 25.24 H ATOM 480 HD13 LEU A 34 -3.621 3.678 -6.479 1.00 51.04 H ATOM 481 HD21 LEU A 34 -0.303 3.185 -4.123 1.00 53.03 H ATOM 482 HD22 LEU A 34 -1.241 1.715 -3.865 1.00 13.11 H ATOM 483 HD23 LEU A 34 -1.929 3.286 -3.448 1.00 72.45 H ATOM 484 N CYS A 35 -1.700 -1.873 -6.379 1.00 55.40 N ATOM 485 CA CYS A 35 -2.099 -3.081 -7.092 1.00 1.13 C ATOM 486 C CYS A 35 -3.616 -3.155 -7.232 1.00 11.13 C ATOM 487 O CYS A 35 -4.351 -2.914 -6.273 1.00 45.25 O ATOM 488 CB CYS A 35 -1.583 -4.323 -6.361 1.00 3.52 C ATOM 489 SG CYS A 35 0.179 -4.237 -5.904 1.00 24.35 S ATOM 490 H CYS A 35 -1.554 -1.916 -5.411 1.00 32.23 H ATOM 491 HA CYS A 35 -1.659 -3.046 -8.076 1.00 72.33 H ATOM 492 HB2 CYS A 35 -2.150 -4.458 -5.452 1.00 72.10 H ATOM 493 HB3 CYS A 35 -1.717 -5.186 -6.995 1.00 43.25 H ATOM 494 N ARG A 36 -4.079 -3.489 -8.431 1.00 44.14 N ATOM 495 CA ARG A 36 -5.508 -3.593 -8.698 1.00 13.02 C ATOM 496 C ARG A 36 -6.074 -4.891 -8.129 1.00 4.24 C ATOM 497 O ARG A 36 -7.213 -5.260 -8.413 1.00 54.12 O ATOM 498 CB ARG A 36 -5.775 -3.525 -10.203 1.00 3.14 C ATOM 499 CG ARG A 36 -5.167 -4.680 -10.982 1.00 65.30 C ATOM 500 CD ARG A 36 -6.051 -5.091 -12.149 1.00 44.00 C ATOM 501 NE ARG A 36 -5.779 -4.301 -13.347 1.00 13.52 N ATOM 502 CZ ARG A 36 -4.768 -4.542 -14.172 1.00 42.43 C ATOM 503 NH1 ARG A 36 -3.936 -5.546 -13.932 1.00 55.24 N1+ ATOM 504 NH2 ARG A 36 -4.586 -3.778 -15.242 1.00 4.52 N ATOM 505 H ARG A 36 -3.443 -3.669 -9.156 1.00 31.33 H ATOM 506 HA ARG A 36 -5.997 -2.760 -8.217 1.00 52.22 H ATOM 507 HB2 ARG A 36 -6.842 -3.530 -10.369 1.00 23.53 H ATOM 508 HB3 ARG A 36 -5.363 -2.604 -10.588 1.00 62.10 H ATOM 509 HG2 ARG A 36 -4.203 -4.378 -11.364 1.00 51.50 H ATOM 510 HG3 ARG A 36 -5.045 -5.524 -10.319 1.00 2.40 H ATOM 511 HD2 ARG A 36 -5.873 -6.133 -12.370 1.00 3.43 H ATOM 512 HD3 ARG A 36 -7.084 -4.956 -11.866 1.00 43.42 H ATOM 513 HE ARG A 36 -6.382 -3.553 -13.543 1.00 5.53 H ATOM 514 HH11 ARG A 36 -4.071 -6.124 -13.128 1.00 32.41 H ATOM 515 HH12 ARG A 36 -3.176 -5.726 -14.556 1.00 50.15 H ATOM 516 HH21 ARG A 36 -5.211 -3.019 -15.427 1.00 24.15 H ATOM 517 HH22 ARG A 36 -3.824 -3.960 -15.863 1.00 1.54 H