ATOM 30 N CYS A 3 0.220 -5.826 -2.286 1.00 41.13 N ATOM 31 CA CYS A 3 -1.018 -6.481 -1.900 1.00 51.13 C ATOM 32 C CYS A 3 -1.062 -6.564 -0.373 1.00 40.42 C ATOM 33 O CYS A 3 -0.214 -6.019 0.334 1.00 14.21 O ATOM 34 CB CYS A 3 -1.156 -7.859 -2.551 1.00 2.04 C ATOM 35 SG CYS A 3 -2.735 -8.135 -3.437 1.00 21.50 S ATOM 36 H CYS A 3 0.865 -6.403 -2.788 1.00 10.14 H ATOM 37 HA CYS A 3 -1.831 -5.861 -2.278 1.00 12.12 H ATOM 38 HB2 CYS A 3 -0.348 -8.015 -3.266 1.00 54.22 H ATOM 39 HB3 CYS A 3 -1.066 -8.638 -1.794 1.00 25.13 H ATOM 40 N TRP A 4 -2.077 -7.263 0.122 1.00 3.41 N ATOM 41 CA TRP A 4 -2.257 -7.434 1.559 1.00 12.13 C ATOM 42 C TRP A 4 -2.126 -8.901 1.953 1.00 35.03 C ATOM 43 O TRP A 4 -1.895 -9.223 3.119 1.00 73.22 O ATOM 44 CB TRP A 4 -3.623 -6.897 1.990 1.00 32.11 C ATOM 45 CG TRP A 4 -4.771 -7.718 1.484 1.00 25.23 C ATOM 46 CD1 TRP A 4 -5.537 -7.465 0.382 1.00 4.14 C ATOM 47 CD2 TRP A 4 -5.282 -8.924 2.063 1.00 51.14 C ATOM 48 NE1 TRP A 4 -6.494 -8.441 0.241 1.00 42.40 N ATOM 49 CE2 TRP A 4 -6.358 -9.348 1.258 1.00 12.34 C ATOM 50 CE3 TRP A 4 -4.935 -9.688 3.180 1.00 43.21 C ATOM 51 CZ2 TRP A 4 -7.088 -10.500 1.539 1.00 51.32 C ATOM 52 CZ3 TRP A 4 -5.660 -10.831 3.457 1.00 13.20 C ATOM 53 CH2 TRP A 4 -6.726 -11.228 2.639 1.00 33.51 C ATOM 54 H TRP A 4 -2.720 -7.673 -0.493 1.00 32.41 H ATOM 55 HA TRP A 4 -1.484 -6.869 2.059 1.00 15.32 H ATOM 56 HB2 TRP A 4 -3.674 -6.883 3.068 1.00 3.45 H ATOM 57 HB3 TRP A 4 -3.741 -5.891 1.614 1.00 20.02 H ATOM 58 HD1 TRP A 4 -5.400 -6.617 -0.271 1.00 61.12 H ATOM 59 HE1 TRP A 4 -7.164 -8.481 -0.474 1.00 5.21 H ATOM 60 HE3 TRP A 4 -4.116 -9.398 3.822 1.00 13.22 H ATOM 61 HZ2 TRP A 4 -7.912 -10.820 0.918 1.00 40.22 H ATOM 62 HZ3 TRP A 4 -5.407 -11.434 4.317 1.00 43.33 H ATOM 63 HH2 TRP A 4 -7.265 -12.128 2.894 1.00 51.13 H ATOM 64 N LYS A 5 -2.275 -9.787 0.975 1.00 75.52 N ATOM 65 CA LYS A 5 -2.173 -11.221 1.219 1.00 65.35 C ATOM 66 C LYS A 5 -1.032 -11.830 0.410 1.00 64.23 C ATOM 67 O LYS A 5 -0.462 -12.853 0.793 1.00 52.34 O ATOM 68 CB LYS A 5 -3.490 -11.915 0.865 1.00 63.52 C ATOM 69 CG LYS A 5 -3.744 -12.012 -0.630 1.00 30.44 C ATOM 70 CD LYS A 5 -4.276 -10.704 -1.191 1.00 33.54 C ATOM 71 CE LYS A 5 -5.562 -10.917 -1.975 1.00 14.45 C ATOM 72 NZ LYS A 5 -6.176 -9.626 -2.393 1.00 34.03 N1+ ATOM 73 H LYS A 5 -2.458 -9.469 0.065 1.00 34.24 H ATOM 74 HA LYS A 5 -1.970 -11.366 2.269 1.00 52.41 H ATOM 75 HB2 LYS A 5 -3.477 -12.916 1.272 1.00 5.43 H ATOM 76 HB3 LYS A 5 -4.305 -11.365 1.312 1.00 5.52 H ATOM 77 HG2 LYS A 5 -2.817 -12.255 -1.128 1.00 54.14 H ATOM 78 HG3 LYS A 5 -4.468 -12.793 -0.812 1.00 75.42 H ATOM 79 HD2 LYS A 5 -4.474 -10.026 -0.374 1.00 21.10 H ATOM 80 HD3 LYS A 5 -3.532 -10.275 -1.846 1.00 50.41 H ATOM 81 HE2 LYS A 5 -5.340 -11.501 -2.854 1.00 32.30 H ATOM 82 HE3 LYS A 5 -6.263 -11.454 -1.353 1.00 21.24 H ATOM 83 HZ1 LYS A 5 -7.142 -9.551 -2.014 1.00 74.23 H ATOM 84 HZ2 LYS A 5 -6.218 -9.569 -3.430 1.00 64.52 H ATOM 85 HZ3 LYS A 5 -5.612 -8.829 -2.035 1.00 34.13 H ATOM 86 N CYS A 6 -0.701 -11.195 -0.710 1.00 34.11 N ATOM 87 CA CYS A 6 0.372 -11.673 -1.573 1.00 22.04 C ATOM 88 C CYS A 6 1.736 -11.406 -0.942 1.00 41.35 C ATOM 89 O CYS A 6 2.459 -12.334 -0.584 1.00 33.54 O ATOM 90 CB CYS A 6 0.291 -11.000 -2.944 1.00 11.41 C ATOM 91 SG CYS A 6 -1.261 -11.325 -3.841 1.00 43.02 S ATOM 92 H CYS A 6 -1.192 -10.384 -0.963 1.00 33.43 H ATOM 93 HA CYS A 6 0.249 -12.738 -1.696 1.00 63.25 H ATOM 94 HB2 CYS A 6 0.378 -9.930 -2.817 1.00 31.21 H ATOM 95 HB3 CYS A 6 1.107 -11.351 -3.558 1.00 75.32 H ATOM 96 N GLY A 7 2.081 -10.128 -0.811 1.00 62.32 N ATOM 97 CA GLY A 7 3.357 -9.761 -0.224 1.00 72.15 C ATOM 98 C GLY A 7 4.406 -9.441 -1.271 1.00 73.40 C ATOM 99 O GLY A 7 5.257 -8.576 -1.064 1.00 54.24 O ATOM 100 H GLY A 7 1.465 -9.430 -1.115 1.00 54.32 H ATOM 101 HA2 GLY A 7 3.215 -8.895 0.405 1.00 62.12 H ATOM 102 HA3 GLY A 7 3.710 -10.581 0.383 1.00 31.32 H ATOM 103 N LYS A 8 4.347 -10.142 -2.398 1.00 64.42 N ATOM 104 CA LYS A 8 5.299 -9.930 -3.482 1.00 25.10 C ATOM 105 C LYS A 8 5.362 -8.456 -3.871 1.00 34.44 C ATOM 106 O LYS A 8 6.394 -7.970 -4.330 1.00 62.02 O ATOM 107 CB LYS A 8 4.914 -10.774 -4.699 1.00 43.33 C ATOM 108 CG LYS A 8 3.431 -10.731 -5.024 1.00 62.40 C ATOM 109 CD LYS A 8 3.181 -10.898 -6.514 1.00 5.34 C ATOM 110 CE LYS A 8 3.270 -9.567 -7.246 1.00 33.35 C ATOM 111 NZ LYS A 8 2.245 -8.600 -6.764 1.00 21.14 N1+ ATOM 112 H LYS A 8 3.646 -10.819 -2.504 1.00 73.22 H ATOM 113 HA LYS A 8 6.273 -10.240 -3.134 1.00 1.54 H ATOM 114 HB2 LYS A 8 5.460 -10.414 -5.559 1.00 3.11 H ATOM 115 HB3 LYS A 8 5.191 -11.801 -4.512 1.00 62.32 H ATOM 116 HG2 LYS A 8 2.933 -11.530 -4.495 1.00 60.32 H ATOM 117 HG3 LYS A 8 3.029 -9.780 -4.705 1.00 21.32 H ATOM 118 HD2 LYS A 8 3.922 -11.570 -6.921 1.00 41.44 H ATOM 119 HD3 LYS A 8 2.195 -11.315 -6.660 1.00 40.30 H ATOM 120 HE2 LYS A 8 4.251 -9.148 -7.086 1.00 62.01 H ATOM 121 HE3 LYS A 8 3.120 -9.742 -8.301 1.00 11.42 H ATOM 122 HZ1 LYS A 8 1.473 -9.107 -6.284 1.00 45.22 H ATOM 123 HZ2 LYS A 8 1.850 -8.069 -7.565 1.00 71.15 H ATOM 124 HZ3 LYS A 8 2.673 -7.929 -6.094 1.00 64.24 H ATOM 125 N GLU A 9 4.250 -7.752 -3.682 1.00 3.35 N ATOM 126 CA GLU A 9 4.181 -6.333 -4.012 1.00 74.23 C ATOM 127 C GLU A 9 4.427 -6.109 -5.501 1.00 62.05 C ATOM 128 O GLU A 9 5.569 -6.113 -5.960 1.00 74.03 O ATOM 129 CB GLU A 9 5.202 -5.544 -3.191 1.00 22.34 C ATOM 130 CG GLU A 9 5.070 -5.754 -1.691 1.00 61.25 C ATOM 131 CD GLU A 9 4.782 -4.466 -0.945 1.00 75.22 C ATOM 132 OE1 GLU A 9 5.418 -3.440 -1.263 1.00 61.13 O ATOM 133 OE2 GLU A 9 3.918 -4.485 -0.043 1.00 3.22 O ATOM 134 H GLU A 9 3.459 -8.196 -3.312 1.00 22.04 H ATOM 135 HA GLU A 9 3.189 -5.984 -3.768 1.00 31.05 H ATOM 136 HB2 GLU A 9 6.196 -5.844 -3.490 1.00 33.35 H ATOM 137 HB3 GLU A 9 5.076 -4.492 -3.398 1.00 4.24 H ATOM 138 HG2 GLU A 9 4.263 -6.447 -1.508 1.00 33.14 H ATOM 139 HG3 GLU A 9 5.993 -6.171 -1.317 1.00 22.34 H ATOM 140 N GLY A 10 3.347 -5.914 -6.252 1.00 32.14 N ATOM 141 CA GLY A 10 3.466 -5.692 -7.681 1.00 2.23 C ATOM 142 C GLY A 10 2.204 -5.108 -8.284 1.00 61.22 C ATOM 143 O GLY A 10 2.266 -4.191 -9.103 1.00 55.41 O ATOM 144 H GLY A 10 2.461 -5.921 -5.831 1.00 64.52 H ATOM 145 HA2 GLY A 10 4.286 -5.013 -7.861 1.00 64.11 H ATOM 146 HA3 GLY A 10 3.679 -6.634 -8.163 1.00 64.44 H ATOM 147 N HIS A 11 1.055 -5.642 -7.881 1.00 24.02 N ATOM 148 CA HIS A 11 -0.227 -5.169 -8.388 1.00 55.24 C ATOM 149 C HIS A 11 -1.098 -4.638 -7.254 1.00 34.04 C ATOM 150 O HIS A 11 -0.658 -4.556 -6.108 1.00 25.24 O ATOM 151 CB HIS A 11 -0.956 -6.295 -9.122 1.00 52.23 C ATOM 152 CG HIS A 11 -1.102 -7.544 -8.309 1.00 12.22 C ATOM 153 ND1 HIS A 11 -0.327 -8.667 -8.508 1.00 1.41 N ATOM 154 CD2 HIS A 11 -1.939 -7.843 -7.288 1.00 55.31 C ATOM 155 CE1 HIS A 11 -0.682 -9.603 -7.646 1.00 50.30 C ATOM 156 NE2 HIS A 11 -1.658 -9.128 -6.894 1.00 15.21 N ATOM 157 H HIS A 11 1.071 -6.371 -7.226 1.00 42.22 H ATOM 158 HA HIS A 11 -0.033 -4.365 -9.082 1.00 74.14 H ATOM 159 HB2 HIS A 11 -1.946 -5.958 -9.392 1.00 52.14 H ATOM 160 HB3 HIS A 11 -0.409 -6.544 -10.020 1.00 23.52 H ATOM 161 HD1 HIS A 11 0.378 -8.763 -9.182 1.00 35.43 H ATOM 162 HD2 HIS A 11 -2.690 -7.192 -6.862 1.00 52.21 H ATOM 163 HE1 HIS A 11 -0.248 -10.588 -7.568 1.00 71.35 H ATOM 164 N GLN A 12 -2.335 -4.279 -7.582 1.00 12.43 N ATOM 165 CA GLN A 12 -3.266 -3.754 -6.590 1.00 34.53 C ATOM 166 C GLN A 12 -4.167 -4.861 -6.050 1.00 4.11 C ATOM 167 O GLN A 12 -4.507 -5.802 -6.766 1.00 52.23 O ATOM 168 CB GLN A 12 -4.118 -2.639 -7.198 1.00 72.11 C ATOM 169 CG GLN A 12 -5.313 -2.250 -6.342 1.00 62.22 C ATOM 170 CD GLN A 12 -5.711 -0.798 -6.521 1.00 22.31 C ATOM 171 OE1 GLN A 12 -6.277 -0.420 -7.547 1.00 12.54 O ATOM 172 NE2 GLN A 12 -5.416 0.024 -5.521 1.00 32.13 N ATOM 173 H GLN A 12 -2.628 -4.368 -8.512 1.00 41.41 H ATOM 174 HA GLN A 12 -2.688 -3.349 -5.774 1.00 4.50 H ATOM 175 HB2 GLN A 12 -3.500 -1.764 -7.335 1.00 33.31 H ATOM 176 HB3 GLN A 12 -4.484 -2.966 -8.160 1.00 42.24 H ATOM 177 HG2 GLN A 12 -6.152 -2.873 -6.614 1.00 32.12 H ATOM 178 HG3 GLN A 12 -5.064 -2.415 -5.304 1.00 74.43 H ATOM 179 HE21 GLN A 12 -4.963 -0.348 -4.735 1.00 10.04 H ATOM 180 HE22 GLN A 12 -5.661 0.968 -5.610 1.00 32.42 H ATOM 181 N MET A 13 -4.548 -4.741 -4.782 1.00 62.34 N ATOM 182 CA MET A 13 -5.409 -5.732 -4.147 1.00 54.42 C ATOM 183 C MET A 13 -6.782 -5.765 -4.812 1.00 41.41 C ATOM 184 O MET A 13 -7.358 -6.833 -5.017 1.00 54.12 O ATOM 185 CB MET A 13 -5.560 -5.427 -2.656 1.00 3.44 C ATOM 186 CG MET A 13 -6.173 -4.065 -2.373 1.00 13.04 C ATOM 187 SD MET A 13 -5.799 -3.466 -0.714 1.00 2.52 S ATOM 188 CE MET A 13 -4.249 -2.615 -1.003 1.00 30.51 C ATOM 189 H MET A 13 -4.244 -3.969 -4.262 1.00 3.44 H ATOM 190 HA MET A 13 -4.943 -6.699 -4.262 1.00 52.44 H ATOM 191 HB2 MET A 13 -6.189 -6.181 -2.207 1.00 64.15 H ATOM 192 HB3 MET A 13 -4.585 -5.461 -2.193 1.00 4.31 H ATOM 193 HG2 MET A 13 -5.790 -3.355 -3.091 1.00 31.43 H ATOM 194 HG3 MET A 13 -7.245 -4.140 -2.480 1.00 53.45 H ATOM 195 HE1 MET A 13 -4.129 -1.828 -0.274 1.00 2.21 H ATOM 196 HE2 MET A 13 -3.432 -3.316 -0.914 1.00 33.42 H ATOM 197 HE3 MET A 13 -4.252 -2.190 -1.996 1.00 12.41 H ATOM 198 N LYS A 14 -7.301 -4.588 -5.147 1.00 4.02 N ATOM 199 CA LYS A 14 -8.605 -4.481 -5.790 1.00 30.35 C ATOM 200 C LYS A 14 -8.638 -5.278 -7.090 1.00 45.30 C ATOM 201 O LYS A 14 -9.656 -5.876 -7.437 1.00 61.21 O ATOM 202 CB LYS A 14 -8.940 -3.015 -6.069 1.00 14.52 C ATOM 203 CG LYS A 14 -10.418 -2.766 -6.320 1.00 4.50 C ATOM 204 CD LYS A 14 -10.780 -2.986 -7.779 1.00 31.30 C ATOM 205 CE LYS A 14 -12.008 -2.182 -8.176 1.00 52.41 C ATOM 206 NZ LYS A 14 -13.270 -2.851 -7.755 1.00 0.14 N1+ ATOM 207 H LYS A 14 -6.793 -3.771 -4.957 1.00 42.35 H ATOM 208 HA LYS A 14 -9.342 -4.888 -5.114 1.00 11.01 H ATOM 209 HB2 LYS A 14 -8.636 -2.420 -5.220 1.00 64.11 H ATOM 210 HB3 LYS A 14 -8.389 -2.691 -6.940 1.00 72.43 H ATOM 211 HG2 LYS A 14 -10.997 -3.443 -5.710 1.00 45.00 H ATOM 212 HG3 LYS A 14 -10.652 -1.745 -6.050 1.00 72.54 H ATOM 213 HD2 LYS A 14 -9.949 -2.682 -8.398 1.00 10.03 H ATOM 214 HD3 LYS A 14 -10.982 -4.037 -7.936 1.00 13.53 H ATOM 215 HE2 LYS A 14 -11.953 -1.210 -7.709 1.00 24.41 H ATOM 216 HE3 LYS A 14 -12.014 -2.065 -9.250 1.00 1.33 H ATOM 217 HZ1 LYS A 14 -13.802 -3.168 -8.590 1.00 52.21 H ATOM 218 HZ2 LYS A 14 -13.861 -2.190 -7.212 1.00 10.33 H ATOM 219 HZ3 LYS A 14 -13.055 -3.676 -7.160 1.00 34.34 H ATOM 220 N ASP A 15 -7.517 -5.282 -7.804 1.00 53.30 N ATOM 221 CA ASP A 15 -7.417 -6.007 -9.065 1.00 60.12 C ATOM 222 C ASP A 15 -6.859 -7.409 -8.843 1.00 31.44 C ATOM 223 O ASP A 15 -6.911 -8.258 -9.733 1.00 64.22 O ATOM 224 CB ASP A 15 -6.530 -5.242 -10.049 1.00 32.21 C ATOM 225 CG ASP A 15 -7.028 -3.833 -10.302 1.00 0.31 C ATOM 226 OD1 ASP A 15 -6.920 -2.992 -9.385 1.00 33.43 O ATOM 227 OD2 ASP A 15 -7.526 -3.570 -11.417 1.00 32.22 O ATOM 228 H ASP A 15 -6.739 -4.785 -7.475 1.00 23.44 H ATOM 229 HA ASP A 15 -8.410 -6.090 -9.480 1.00 32.21 H ATOM 230 HB2 ASP A 15 -5.528 -5.184 -9.650 1.00 1.54 H ATOM 231 HB3 ASP A 15 -6.508 -5.772 -10.990 1.00 40.50 H ATOM 232 N CYS A 16 -6.325 -7.646 -7.649 1.00 11.40 N ATOM 233 CA CYS A 16 -5.756 -8.944 -7.309 1.00 2.23 C ATOM 234 C CYS A 16 -6.740 -10.068 -7.620 1.00 42.24 C ATOM 235 O CYS A 16 -7.955 -9.869 -7.597 1.00 60.34 O ATOM 236 CB CYS A 16 -5.372 -8.983 -5.828 1.00 65.54 C ATOM 237 SG CYS A 16 -4.512 -10.508 -5.324 1.00 31.42 S ATOM 238 H CYS A 16 -6.313 -6.929 -6.980 1.00 12.53 H ATOM 239 HA CYS A 16 -4.868 -9.084 -7.906 1.00 42.30 H ATOM 240 HB2 CYS A 16 -4.717 -8.152 -5.612 1.00 0.40 H ATOM 241 HB3 CYS A 16 -6.266 -8.896 -5.230 1.00 30.04 H ATOM 242 N THR A 17 -6.206 -11.250 -7.912 1.00 32.24 N ATOM 243 CA THR A 17 -7.036 -12.406 -8.229 1.00 2.23 C ATOM 244 C THR A 17 -8.151 -12.580 -7.204 1.00 41.11 C ATOM 245 O THR A 17 -9.271 -12.953 -7.551 1.00 12.24 O ATOM 246 CB THR A 17 -6.200 -13.699 -8.286 1.00 11.53 C ATOM 247 OG1 THR A 17 -7.062 -14.841 -8.236 1.00 25.32 O ATOM 248 CG2 THR A 17 -5.209 -13.753 -7.133 1.00 20.50 C ATOM 249 H THR A 17 -5.231 -11.346 -7.914 1.00 0.23 H ATOM 250 HA THR A 17 -7.476 -12.243 -9.202 1.00 31.42 H ATOM 251 HB THR A 17 -5.650 -13.712 -9.216 1.00 25.55 H ATOM 252 HG1 THR A 17 -6.602 -15.604 -8.594 1.00 70.54 H ATOM 253 HG21 THR A 17 -4.747 -14.728 -7.103 1.00 25.52 H ATOM 254 HG22 THR A 17 -5.728 -13.572 -6.203 1.00 63.52 H ATOM 255 HG23 THR A 17 -4.450 -12.999 -7.275 1.00 2.21 H