ATOM 30 N CYS A 3 -0.127 -5.267 -2.598 1.00 10.03 N ATOM 31 CA CYS A 3 -1.434 -5.713 -2.147 1.00 14.22 C ATOM 32 C CYS A 3 -1.468 -5.634 -0.619 1.00 54.32 C ATOM 33 O CYS A 3 -0.613 -5.023 0.021 1.00 22.15 O ATOM 34 CB CYS A 3 -1.758 -7.120 -2.653 1.00 23.13 C ATOM 35 SG CYS A 3 -3.470 -7.342 -3.264 1.00 51.44 S ATOM 36 H CYS A 3 0.487 -5.996 -2.900 1.00 52.04 H ATOM 37 HA CYS A 3 -2.165 -5.034 -2.586 1.00 13.11 H ATOM 38 HB2 CYS A 3 -1.084 -7.387 -3.467 1.00 5.34 H ATOM 39 HB3 CYS A 3 -1.599 -7.847 -1.856 1.00 61.23 H ATOM 40 N TRP A 4 -2.484 -6.270 -0.047 1.00 10.32 N ATOM 41 CA TRP A 4 -2.656 -6.287 1.402 1.00 62.35 C ATOM 42 C TRP A 4 -2.569 -7.710 1.943 1.00 71.03 C ATOM 43 O TRP A 4 -2.324 -7.919 3.131 1.00 63.41 O ATOM 44 CB TRP A 4 -3.999 -5.664 1.784 1.00 52.11 C ATOM 45 CG TRP A 4 -5.171 -6.331 1.130 1.00 53.01 C ATOM 46 CD1 TRP A 4 -5.572 -6.195 -0.169 1.00 20.34 C ATOM 47 CD2 TRP A 4 -6.095 -7.236 1.744 1.00 23.34 C ATOM 48 NE1 TRP A 4 -6.689 -6.962 -0.398 1.00 50.24 N ATOM 49 CE2 TRP A 4 -7.029 -7.611 0.759 1.00 51.20 C ATOM 50 CE3 TRP A 4 -6.222 -7.769 3.030 1.00 11.41 C ATOM 51 CZ2 TRP A 4 -8.075 -8.491 1.022 1.00 71.22 C ATOM 52 CZ3 TRP A 4 -7.261 -8.642 3.289 1.00 20.15 C ATOM 53 CH2 TRP A 4 -8.176 -8.997 2.289 1.00 20.13 C ATOM 54 H TRP A 4 -3.134 -6.739 -0.611 1.00 51.21 H ATOM 55 HA TRP A 4 -1.860 -5.700 1.836 1.00 71.21 H ATOM 56 HB2 TRP A 4 -4.130 -5.734 2.853 1.00 11.34 H ATOM 57 HB3 TRP A 4 -4.001 -4.624 1.492 1.00 41.32 H ATOM 58 HD1 TRP A 4 -5.075 -5.572 -0.896 1.00 52.11 H ATOM 59 HE1 TRP A 4 -7.164 -7.033 -1.253 1.00 63.12 H ATOM 60 HE3 TRP A 4 -5.527 -7.507 3.814 1.00 22.22 H ATOM 61 HZ2 TRP A 4 -8.788 -8.775 0.262 1.00 71.15 H ATOM 62 HZ3 TRP A 4 -7.376 -9.063 4.278 1.00 63.35 H ATOM 63 HH2 TRP A 4 -8.972 -9.682 2.537 1.00 62.42 H ATOM 64 N LYS A 5 -2.772 -8.686 1.064 1.00 22.02 N ATOM 65 CA LYS A 5 -2.715 -10.090 1.453 1.00 31.11 C ATOM 66 C LYS A 5 -1.720 -10.855 0.586 1.00 75.22 C ATOM 67 O LYS A 5 -1.077 -11.799 1.046 1.00 13.11 O ATOM 68 CB LYS A 5 -4.102 -10.728 1.341 1.00 24.02 C ATOM 69 CG LYS A 5 -4.500 -11.072 -0.084 1.00 23.13 C ATOM 70 CD LYS A 5 -4.787 -9.823 -0.900 1.00 11.15 C ATOM 71 CE LYS A 5 -6.119 -9.926 -1.627 1.00 62.40 C ATOM 72 NZ LYS A 5 -6.253 -11.217 -2.358 1.00 3.02 N1+ ATOM 73 H LYS A 5 -2.963 -8.456 0.130 1.00 35.13 H ATOM 74 HA LYS A 5 -2.389 -10.137 2.481 1.00 45.22 H ATOM 75 HB2 LYS A 5 -4.115 -11.636 1.926 1.00 53.00 H ATOM 76 HB3 LYS A 5 -4.834 -10.041 1.741 1.00 22.43 H ATOM 77 HG2 LYS A 5 -3.693 -11.617 -0.552 1.00 13.13 H ATOM 78 HG3 LYS A 5 -5.387 -11.688 -0.061 1.00 33.41 H ATOM 79 HD2 LYS A 5 -4.817 -8.970 -0.238 1.00 2.01 H ATOM 80 HD3 LYS A 5 -3.999 -9.689 -1.627 1.00 23.21 H ATOM 81 HE2 LYS A 5 -6.916 -9.848 -0.904 1.00 51.41 H ATOM 82 HE3 LYS A 5 -6.192 -9.113 -2.334 1.00 0.13 H ATOM 83 HZ1 LYS A 5 -6.860 -11.093 -3.193 1.00 40.21 H ATOM 84 HZ2 LYS A 5 -6.678 -11.936 -1.738 1.00 41.14 H ATOM 85 HZ3 LYS A 5 -5.318 -11.551 -2.668 1.00 51.22 H ATOM 86 N CYS A 6 -1.598 -10.442 -0.671 1.00 41.41 N ATOM 87 CA CYS A 6 -0.681 -11.087 -1.603 1.00 1.31 C ATOM 88 C CYS A 6 0.757 -10.996 -1.101 1.00 64.23 C ATOM 89 O CYS A 6 1.372 -12.006 -0.760 1.00 52.01 O ATOM 90 CB CYS A 6 -0.791 -10.444 -2.987 1.00 34.10 C ATOM 91 SG CYS A 6 -2.423 -10.646 -3.773 1.00 25.15 S ATOM 92 H CYS A 6 -2.138 -9.683 -0.980 1.00 60.31 H ATOM 93 HA CYS A 6 -0.959 -12.127 -1.676 1.00 21.15 H ATOM 94 HB2 CYS A 6 -0.599 -9.385 -2.900 1.00 4.42 H ATOM 95 HB3 CYS A 6 -0.054 -10.886 -3.641 1.00 30.24 H ATOM 96 N GLY A 7 1.288 -9.778 -1.059 1.00 42.23 N ATOM 97 CA GLY A 7 2.650 -9.577 -0.598 1.00 74.22 C ATOM 98 C GLY A 7 3.645 -9.512 -1.740 1.00 13.12 C ATOM 99 O GLY A 7 4.642 -8.794 -1.664 1.00 51.22 O ATOM 100 H GLY A 7 0.751 -9.009 -1.344 1.00 0.12 H ATOM 101 HA2 GLY A 7 2.697 -8.654 -0.040 1.00 33.21 H ATOM 102 HA3 GLY A 7 2.921 -10.395 0.054 1.00 53.23 H ATOM 103 N LYS A 8 3.375 -10.265 -2.801 1.00 45.30 N ATOM 104 CA LYS A 8 4.254 -10.291 -3.964 1.00 43.31 C ATOM 105 C LYS A 8 4.545 -8.877 -4.458 1.00 73.13 C ATOM 106 O LYS A 8 5.602 -8.615 -5.030 1.00 61.55 O ATOM 107 CB LYS A 8 3.623 -11.116 -5.088 1.00 11.41 C ATOM 108 CG LYS A 8 2.146 -10.830 -5.296 1.00 34.24 C ATOM 109 CD LYS A 8 1.739 -11.024 -6.747 1.00 31.22 C ATOM 110 CE LYS A 8 2.002 -9.773 -7.571 1.00 71.43 C ATOM 111 NZ LYS A 8 1.227 -8.605 -7.070 1.00 34.14 N1+ ATOM 112 H LYS A 8 2.565 -10.816 -2.802 1.00 74.33 H ATOM 113 HA LYS A 8 5.183 -10.753 -3.668 1.00 24.43 H ATOM 114 HB2 LYS A 8 4.143 -10.902 -6.010 1.00 73.54 H ATOM 115 HB3 LYS A 8 3.736 -12.165 -4.855 1.00 40.32 H ATOM 116 HG2 LYS A 8 1.568 -11.502 -4.678 1.00 60.13 H ATOM 117 HG3 LYS A 8 1.942 -9.809 -5.007 1.00 52.45 H ATOM 118 HD2 LYS A 8 2.306 -11.843 -7.164 1.00 41.45 H ATOM 119 HD3 LYS A 8 0.684 -11.257 -6.788 1.00 1.22 H ATOM 120 HE2 LYS A 8 3.055 -9.542 -7.525 1.00 20.31 H ATOM 121 HE3 LYS A 8 1.721 -9.968 -8.596 1.00 20.12 H ATOM 122 HZ1 LYS A 8 0.876 -8.040 -7.869 1.00 53.31 H ATOM 123 HZ2 LYS A 8 1.831 -8.004 -6.474 1.00 62.30 H ATOM 124 HZ3 LYS A 8 0.416 -8.930 -6.506 1.00 15.33 H ATOM 125 N GLU A 9 3.600 -7.970 -4.232 1.00 35.00 N ATOM 126 CA GLU A 9 3.756 -6.583 -4.654 1.00 71.14 C ATOM 127 C GLU A 9 3.939 -6.492 -6.167 1.00 21.34 C ATOM 128 O GLU A 9 5.033 -6.712 -6.685 1.00 1.33 O ATOM 129 CB GLU A 9 4.951 -5.943 -3.946 1.00 1.55 C ATOM 130 CG GLU A 9 4.804 -5.886 -2.434 1.00 70.53 C ATOM 131 CD GLU A 9 6.064 -6.317 -1.709 1.00 43.50 C ATOM 132 OE1 GLU A 9 7.164 -6.138 -2.273 1.00 21.42 O ATOM 133 OE2 GLU A 9 5.950 -6.831 -0.577 1.00 21.32 O ATOM 134 H GLU A 9 2.778 -8.240 -3.771 1.00 1.11 H ATOM 135 HA GLU A 9 2.858 -6.050 -4.380 1.00 45.30 H ATOM 136 HB2 GLU A 9 5.840 -6.510 -4.180 1.00 12.03 H ATOM 137 HB3 GLU A 9 5.073 -4.934 -4.312 1.00 15.22 H ATOM 138 HG2 GLU A 9 4.569 -4.873 -2.145 1.00 43.15 H ATOM 139 HG3 GLU A 9 3.996 -6.540 -2.140 1.00 11.35 H ATOM 140 N GLY A 10 2.858 -6.168 -6.869 1.00 40.55 N ATOM 141 CA GLY A 10 2.919 -6.054 -8.315 1.00 25.01 C ATOM 142 C GLY A 10 1.719 -5.331 -8.891 1.00 54.42 C ATOM 143 O GLY A 10 1.847 -4.560 -9.844 1.00 33.44 O ATOM 144 H GLY A 10 2.012 -6.004 -6.403 1.00 11.25 H ATOM 145 HA2 GLY A 10 3.815 -5.515 -8.585 1.00 62.00 H ATOM 146 HA3 GLY A 10 2.966 -7.046 -8.741 1.00 11.33 H ATOM 147 N HIS A 11 0.547 -5.579 -8.314 1.00 70.04 N ATOM 148 CA HIS A 11 -0.683 -4.946 -8.778 1.00 3.04 C ATOM 149 C HIS A 11 -1.365 -4.189 -7.642 1.00 51.13 C ATOM 150 O HIS A 11 -0.822 -4.080 -6.543 1.00 53.22 O ATOM 151 CB HIS A 11 -1.636 -5.994 -9.352 1.00 62.43 C ATOM 152 CG HIS A 11 -1.947 -7.107 -8.399 1.00 72.14 C ATOM 153 ND1 HIS A 11 -1.448 -8.384 -8.545 1.00 32.31 N ATOM 154 CD2 HIS A 11 -2.711 -7.128 -7.282 1.00 23.20 C ATOM 155 CE1 HIS A 11 -1.893 -9.143 -7.559 1.00 63.22 C ATOM 156 NE2 HIS A 11 -2.661 -8.405 -6.779 1.00 3.25 N ATOM 157 H HIS A 11 0.509 -6.202 -7.559 1.00 71.24 H ATOM 158 HA HIS A 11 -0.422 -4.245 -9.555 1.00 41.55 H ATOM 159 HB2 HIS A 11 -2.567 -5.517 -9.619 1.00 40.24 H ATOM 160 HB3 HIS A 11 -1.192 -6.428 -10.237 1.00 74.30 H ATOM 161 HD1 HIS A 11 -0.858 -8.689 -9.264 1.00 64.44 H ATOM 162 HD2 HIS A 11 -3.259 -6.296 -6.863 1.00 43.43 H ATOM 163 HE1 HIS A 11 -1.667 -10.189 -7.415 1.00 63.10 H ATOM 164 N GLN A 12 -2.557 -3.668 -7.917 1.00 24.00 N ATOM 165 CA GLN A 12 -3.311 -2.920 -6.918 1.00 74.15 C ATOM 166 C GLN A 12 -4.385 -3.795 -6.279 1.00 65.22 C ATOM 167 O GLN A 12 -5.020 -4.606 -6.952 1.00 41.05 O ATOM 168 CB GLN A 12 -3.954 -1.686 -7.554 1.00 15.05 C ATOM 169 CG GLN A 12 -4.976 -1.004 -6.658 1.00 52.33 C ATOM 170 CD GLN A 12 -5.114 0.477 -6.953 1.00 3.12 C ATOM 171 OE1 GLN A 12 -6.185 0.949 -7.336 1.00 23.14 O ATOM 172 NE2 GLN A 12 -4.027 1.220 -6.775 1.00 72.41 N ATOM 173 H GLN A 12 -2.936 -3.789 -8.812 1.00 15.05 H ATOM 174 HA GLN A 12 -2.621 -2.601 -6.152 1.00 54.02 H ATOM 175 HB2 GLN A 12 -3.180 -0.972 -7.789 1.00 3.21 H ATOM 176 HB3 GLN A 12 -4.449 -1.982 -8.467 1.00 33.34 H ATOM 177 HG2 GLN A 12 -5.937 -1.475 -6.806 1.00 2.41 H ATOM 178 HG3 GLN A 12 -4.672 -1.125 -5.629 1.00 44.33 H ATOM 179 HE21 GLN A 12 -3.208 0.775 -6.469 1.00 54.23 H ATOM 180 HE22 GLN A 12 -4.087 2.179 -6.959 1.00 15.43 H ATOM 181 N MET A 13 -4.580 -3.625 -4.976 1.00 34.42 N ATOM 182 CA MET A 13 -5.578 -4.400 -4.246 1.00 43.21 C ATOM 183 C MET A 13 -6.941 -4.306 -4.923 1.00 53.33 C ATOM 184 O MET A 13 -7.655 -5.301 -5.047 1.00 21.44 O ATOM 185 CB MET A 13 -5.678 -3.909 -2.801 1.00 12.14 C ATOM 186 CG MET A 13 -6.005 -2.429 -2.683 1.00 34.23 C ATOM 187 SD MET A 13 -5.806 -1.805 -1.003 1.00 23.32 S ATOM 188 CE MET A 13 -7.516 -1.627 -0.502 1.00 53.45 C ATOM 189 H MET A 13 -4.043 -2.963 -4.493 1.00 23.42 H ATOM 190 HA MET A 13 -5.260 -5.432 -4.245 1.00 2.40 H ATOM 191 HB2 MET A 13 -6.452 -4.468 -2.296 1.00 1.00 H ATOM 192 HB3 MET A 13 -4.735 -4.087 -2.306 1.00 32.14 H ATOM 193 HG2 MET A 13 -5.349 -1.875 -3.337 1.00 22.21 H ATOM 194 HG3 MET A 13 -7.029 -2.276 -2.990 1.00 53.21 H ATOM 195 HE1 MET A 13 -8.143 -1.564 -1.379 1.00 53.44 H ATOM 196 HE2 MET A 13 -7.809 -2.481 0.089 1.00 31.40 H ATOM 197 HE3 MET A 13 -7.627 -0.727 0.085 1.00 41.51 H ATOM 198 N LYS A 14 -7.298 -3.103 -5.361 1.00 1.24 N ATOM 199 CA LYS A 14 -8.576 -2.878 -6.026 1.00 45.13 C ATOM 200 C LYS A 14 -8.695 -3.739 -7.280 1.00 21.13 C ATOM 201 O LYS A 14 -9.779 -4.217 -7.615 1.00 23.43 O ATOM 202 CB LYS A 14 -8.730 -1.400 -6.393 1.00 64.34 C ATOM 203 CG LYS A 14 -10.174 -0.965 -6.571 1.00 20.03 C ATOM 204 CD LYS A 14 -10.648 -1.174 -7.999 1.00 71.31 C ATOM 205 CE LYS A 14 -12.165 -1.262 -8.076 1.00 24.42 C ATOM 206 NZ LYS A 14 -12.816 0.014 -7.671 1.00 5.24 N1+ ATOM 207 H LYS A 14 -6.686 -2.347 -5.233 1.00 61.20 H ATOM 208 HA LYS A 14 -9.361 -3.153 -5.339 1.00 21.21 H ATOM 209 HB2 LYS A 14 -8.288 -0.800 -5.612 1.00 42.30 H ATOM 210 HB3 LYS A 14 -8.204 -1.215 -7.319 1.00 3.01 H ATOM 211 HG2 LYS A 14 -10.799 -1.544 -5.907 1.00 51.21 H ATOM 212 HG3 LYS A 14 -10.257 0.084 -6.323 1.00 73.23 H ATOM 213 HD2 LYS A 14 -10.316 -0.344 -8.605 1.00 31.22 H ATOM 214 HD3 LYS A 14 -10.223 -2.092 -8.379 1.00 60.54 H ATOM 215 HE2 LYS A 14 -12.448 -1.494 -9.091 1.00 22.51 H ATOM 216 HE3 LYS A 14 -12.500 -2.052 -7.419 1.00 43.23 H ATOM 217 HZ1 LYS A 14 -13.607 -0.178 -7.024 1.00 31.32 H ATOM 218 HZ2 LYS A 14 -13.180 0.511 -8.508 1.00 74.22 H ATOM 219 HZ3 LYS A 14 -12.129 0.628 -7.188 1.00 40.42 H ATOM 220 N ASP A 15 -7.575 -3.933 -7.967 1.00 61.51 N ATOM 221 CA ASP A 15 -7.554 -4.740 -9.182 1.00 42.52 C ATOM 222 C ASP A 15 -7.019 -6.139 -8.897 1.00 21.35 C ATOM 223 O ASP A 15 -6.701 -6.894 -9.816 1.00 54.04 O ATOM 224 CB ASP A 15 -6.699 -4.062 -10.254 1.00 65.22 C ATOM 225 CG ASP A 15 -7.177 -2.660 -10.576 1.00 72.23 C ATOM 226 OD1 ASP A 15 -8.281 -2.291 -10.122 1.00 43.35 O ATOM 227 OD2 ASP A 15 -6.448 -1.932 -11.281 1.00 60.24 O ATOM 228 H ASP A 15 -6.742 -3.526 -7.649 1.00 50.32 H ATOM 229 HA ASP A 15 -8.568 -4.822 -9.543 1.00 62.21 H ATOM 230 HB2 ASP A 15 -5.677 -4.003 -9.906 1.00 54.44 H ATOM 231 HB3 ASP A 15 -6.733 -4.652 -11.158 1.00 42.14 H ATOM 232 N CYS A 16 -6.920 -6.480 -7.616 1.00 15.42 N ATOM 233 CA CYS A 16 -6.423 -7.788 -7.208 1.00 4.43 C ATOM 234 C CYS A 16 -7.413 -8.887 -7.580 1.00 60.13 C ATOM 235 O CYS A 16 -8.627 -8.697 -7.504 1.00 74.10 O ATOM 236 CB CYS A 16 -6.163 -7.810 -5.700 1.00 45.21 C ATOM 237 SG CYS A 16 -5.654 -9.437 -5.057 1.00 42.43 S ATOM 238 H CYS A 16 -7.189 -5.835 -6.927 1.00 52.44 H ATOM 239 HA CYS A 16 -5.493 -7.966 -7.727 1.00 75.01 H ATOM 240 HB2 CYS A 16 -5.377 -7.105 -5.468 1.00 20.52 H ATOM 241 HB3 CYS A 16 -7.065 -7.519 -5.183 1.00 5.44 H ATOM 242 N THR A 17 -6.886 -10.039 -7.984 1.00 2.01 N ATOM 243 CA THR A 17 -7.722 -11.169 -8.369 1.00 41.33 C ATOM 244 C THR A 17 -8.145 -11.980 -7.150 1.00 72.54 C ATOM 245 O THR A 17 -7.942 -13.193 -7.101 1.00 33.14 O ATOM 246 CB THR A 17 -6.993 -12.095 -9.361 1.00 4.03 C ATOM 247 OG1 THR A 17 -5.942 -12.800 -8.690 1.00 42.24 O ATOM 248 CG2 THR A 17 -6.416 -11.298 -10.521 1.00 62.43 C ATOM 249 H THR A 17 -5.911 -10.129 -8.024 1.00 21.24 H ATOM 250 HA THR A 17 -8.605 -10.780 -8.855 1.00 41.23 H ATOM 251 HB THR A 17 -7.703 -12.809 -9.752 1.00 20.55 H ATOM 252 HG1 THR A 17 -5.599 -13.488 -9.266 1.00 54.34 H ATOM 253 HG21 THR A 17 -7.221 -10.890 -11.112 1.00 54.42 H ATOM 254 HG22 THR A 17 -5.811 -11.947 -11.138 1.00 1.13 H ATOM 255 HG23 THR A 17 -5.806 -10.494 -10.138 1.00 10.02 H