ATOM 23 N LYS A 4 -11.053 5.578 2.601 1.00 13.12 N ATOM 24 CA LYS A 4 -10.202 6.216 1.604 1.00 25.14 C ATOM 25 C LYS A 4 -9.006 5.331 1.264 1.00 54.53 C ATOM 26 O LYS A 4 -8.628 4.457 2.043 1.00 64.22 O ATOM 27 CB LYS A 4 -9.715 7.575 2.113 1.00 32.34 C ATOM 28 CG LYS A 4 -9.318 7.568 3.580 1.00 52.45 C ATOM 29 CD LYS A 4 -8.887 8.949 4.047 1.00 73.35 C ATOM 30 CE LYS A 4 -7.454 9.253 3.639 1.00 23.41 C ATOM 31 NZ LYS A 4 -6.872 10.363 4.443 1.00 30.33 N ATOM 32 H LYS A 4 -10.638 5.133 3.370 1.00 72.40 H ATOM 33 HA LYS A 4 -10.790 6.365 0.712 1.00 41.03 H ATOM 34 HB2 LYS A 4 -8.858 7.878 1.531 1.00 2.10 H ATOM 35 HB3 LYS A 4 -10.505 8.300 1.979 1.00 33.43 H ATOM 36 HG2 LYS A 4 -10.163 7.248 4.171 1.00 71.23 H ATOM 37 HG3 LYS A 4 -8.497 6.879 3.718 1.00 74.03 H ATOM 38 HD2 LYS A 4 -9.539 9.688 3.606 1.00 51.32 H ATOM 39 HD3 LYS A 4 -8.964 8.995 5.124 1.00 62.23 H ATOM 40 HE2 LYS A 4 -6.857 8.365 3.782 1.00 22.10 H ATOM 41 HE3 LYS A 4 -7.441 9.530 2.595 1.00 13.45 H ATOM 42 HZ1 LYS A 4 -7.140 10.259 5.443 1.00 61.23 H ATOM 43 HZ2 LYS A 4 -7.223 11.278 4.095 1.00 64.24 H ATOM 44 HZ3 LYS A 4 -5.835 10.351 4.370 1.00 2.44 H ATOM 45 N ARG A 5 -8.416 5.566 0.096 1.00 11.14 N ATOM 46 CA ARG A 5 -7.264 4.791 -0.347 1.00 23.45 C ATOM 47 C ARG A 5 -6.309 5.655 -1.164 1.00 65.14 C ATOM 48 O ARG A 5 -6.733 6.562 -1.881 1.00 32.31 O ATOM 49 CB ARG A 5 -7.719 3.589 -1.177 1.00 12.22 C ATOM 50 CG ARG A 5 -8.718 3.945 -2.266 1.00 20.01 C ATOM 51 CD ARG A 5 -8.566 3.040 -3.478 1.00 73.32 C ATOM 52 NE ARG A 5 -9.812 2.920 -4.231 1.00 60.40 N ATOM 53 CZ ARG A 5 -10.062 1.933 -5.085 1.00 54.50 C ATOM 54 NH1 ARG A 5 -9.158 0.987 -5.293 1.00 70.42 N ATOM 55 NH2 ARG A 5 -11.220 1.893 -5.733 1.00 21.14 N ATOM 56 H ARG A 5 -8.764 6.277 -0.481 1.00 51.14 H ATOM 57 HA ARG A 5 -6.746 4.435 0.531 1.00 21.45 H ATOM 58 HB2 ARG A 5 -6.855 3.141 -1.644 1.00 61.24 H ATOM 59 HB3 ARG A 5 -8.178 2.866 -0.520 1.00 14.34 H ATOM 60 HG2 ARG A 5 -9.718 3.837 -1.873 1.00 54.32 H ATOM 61 HG3 ARG A 5 -8.556 4.969 -2.569 1.00 32.41 H ATOM 62 HD2 ARG A 5 -7.805 3.450 -4.124 1.00 43.14 H ATOM 63 HD3 ARG A 5 -8.263 2.059 -3.143 1.00 11.24 H ATOM 64 HE ARG A 5 -10.494 3.609 -4.092 1.00 72.34 H ATOM 65 HH11 ARG A 5 -8.285 1.014 -4.806 1.00 14.11 H ATOM 66 HH12 ARG A 5 -9.350 0.244 -5.936 1.00 4.41 H ATOM 67 HH21 ARG A 5 -11.904 2.605 -5.578 1.00 72.11 H ATOM 68 HH22 ARG A 5 -11.407 1.151 -6.375 1.00 74.41 H ATOM 69 N LYS A 6 -5.016 5.368 -1.052 1.00 50.21 N ATOM 70 CA LYS A 6 -3.999 6.118 -1.781 1.00 34.42 C ATOM 71 C LYS A 6 -2.793 5.238 -2.091 1.00 62.41 C ATOM 72 O LYS A 6 -2.339 4.468 -1.244 1.00 4.30 O ATOM 73 CB LYS A 6 -3.559 7.339 -0.971 1.00 45.01 C ATOM 74 CG LYS A 6 -2.350 8.051 -1.554 1.00 23.24 C ATOM 75 CD LYS A 6 -2.233 9.472 -1.029 1.00 11.11 C ATOM 76 CE LYS A 6 -3.135 10.426 -1.797 1.00 71.34 C ATOM 77 NZ LYS A 6 -3.502 11.618 -0.985 1.00 10.34 N ATOM 78 H LYS A 6 -4.739 4.633 -0.465 1.00 1.42 H ATOM 79 HA LYS A 6 -4.435 6.451 -2.710 1.00 75.34 H ATOM 80 HB2 LYS A 6 -4.378 8.042 -0.927 1.00 64.34 H ATOM 81 HB3 LYS A 6 -3.314 7.022 0.032 1.00 20.54 H ATOM 82 HG2 LYS A 6 -1.458 7.505 -1.285 1.00 4.15 H ATOM 83 HG3 LYS A 6 -2.445 8.081 -2.630 1.00 20.42 H ATOM 84 HD2 LYS A 6 -2.517 9.487 0.013 1.00 74.32 H ATOM 85 HD3 LYS A 6 -1.208 9.800 -1.129 1.00 11.42 H ATOM 86 HE2 LYS A 6 -2.618 10.752 -2.686 1.00 63.04 H ATOM 87 HE3 LYS A 6 -4.036 9.900 -2.078 1.00 12.43 H ATOM 88 HZ1 LYS A 6 -4.246 11.370 -0.302 1.00 1.54 H ATOM 89 HZ2 LYS A 6 -3.853 12.378 -1.603 1.00 63.51 H ATOM 90 HZ3 LYS A 6 -2.671 11.966 -0.465 1.00 50.13 H ATOM 91 N VAL A 7 -2.277 5.357 -3.310 1.00 63.03 N ATOM 92 CA VAL A 7 -1.121 4.574 -3.731 1.00 41.22 C ATOM 93 C VAL A 7 0.157 5.404 -3.670 1.00 55.12 C ATOM 94 O VAL A 7 0.161 6.583 -4.024 1.00 53.41 O ATOM 95 CB VAL A 7 -1.301 4.033 -5.162 1.00 25.00 C ATOM 96 CG1 VAL A 7 -1.603 5.168 -6.128 1.00 71.04 C ATOM 97 CG2 VAL A 7 -0.063 3.265 -5.600 1.00 23.42 C ATOM 98 H VAL A 7 -2.683 5.987 -3.941 1.00 44.14 H ATOM 99 HA VAL A 7 -1.025 3.733 -3.060 1.00 42.10 H ATOM 100 HB VAL A 7 -2.140 3.354 -5.165 1.00 71.54 H ATOM 101 HG11 VAL A 7 -1.553 6.110 -5.603 1.00 14.40 H ATOM 102 HG12 VAL A 7 -0.878 5.162 -6.929 1.00 54.13 H ATOM 103 HG13 VAL A 7 -2.594 5.037 -6.538 1.00 0.10 H ATOM 104 HG21 VAL A 7 -0.248 2.797 -6.555 1.00 31.40 H ATOM 105 HG22 VAL A 7 0.770 3.946 -5.688 1.00 25.14 H ATOM 106 HG23 VAL A 7 0.169 2.506 -4.866 1.00 72.23 H ATOM 107 N TYR A 8 1.239 4.780 -3.220 1.00 4.55 N ATOM 108 CA TYR A 8 2.524 5.462 -3.110 1.00 72.21 C ATOM 109 C TYR A 8 3.562 4.816 -4.023 1.00 3.55 C ATOM 110 O TYR A 8 4.253 3.878 -3.627 1.00 43.13 O ATOM 111 CB TYR A 8 3.016 5.438 -1.662 1.00 33.00 C ATOM 112 CG TYR A 8 3.524 6.775 -1.173 1.00 42.41 C ATOM 113 CD1 TYR A 8 4.356 7.557 -1.966 1.00 31.35 C ATOM 114 CD2 TYR A 8 3.172 7.258 0.081 1.00 12.14 C ATOM 115 CE1 TYR A 8 4.823 8.779 -1.522 1.00 64.34 C ATOM 116 CE2 TYR A 8 3.633 8.480 0.532 1.00 23.32 C ATOM 117 CZ TYR A 8 4.459 9.236 -0.273 1.00 62.01 C ATOM 118 OH TYR A 8 4.922 10.453 0.171 1.00 15.53 O ATOM 119 H TYR A 8 1.173 3.840 -2.952 1.00 64.05 H ATOM 120 HA TYR A 8 2.382 6.488 -3.415 1.00 13.42 H ATOM 121 HB2 TYR A 8 2.204 5.137 -1.018 1.00 52.20 H ATOM 122 HB3 TYR A 8 3.822 4.724 -1.575 1.00 13.25 H ATOM 123 HD1 TYR A 8 4.639 7.196 -2.944 1.00 31.42 H ATOM 124 HD2 TYR A 8 2.525 6.663 0.710 1.00 52.40 H ATOM 125 HE1 TYR A 8 5.470 9.371 -2.153 1.00 54.30 H ATOM 126 HE2 TYR A 8 3.349 8.838 1.510 1.00 13.25 H ATOM 127 HH TYR A 8 4.673 11.138 -0.454 1.00 75.13 H ATOM 128 N GLU A 9 3.666 5.328 -5.245 1.00 72.12 N ATOM 129 CA GLU A 9 4.620 4.802 -6.214 1.00 73.35 C ATOM 130 C GLU A 9 6.053 5.112 -5.791 1.00 74.31 C ATOM 131 O GLU A 9 6.995 4.446 -6.219 1.00 11.34 O ATOM 132 CB GLU A 9 4.348 5.388 -7.601 1.00 53.42 C ATOM 133 CG GLU A 9 4.565 6.890 -7.680 1.00 43.11 C ATOM 134 CD GLU A 9 4.192 7.463 -9.034 1.00 2.35 C ATOM 135 OE1 GLU A 9 4.365 6.754 -10.047 1.00 13.33 O ATOM 136 OE2 GLU A 9 3.727 8.622 -9.079 1.00 23.43 O ATOM 137 H GLU A 9 3.087 6.076 -5.501 1.00 70.04 H ATOM 138 HA GLU A 9 4.493 3.730 -6.256 1.00 43.41 H ATOM 139 HB2 GLU A 9 5.003 4.912 -8.315 1.00 61.04 H ATOM 140 HB3 GLU A 9 3.323 5.180 -7.872 1.00 22.30 H ATOM 141 HG2 GLU A 9 3.960 7.369 -6.925 1.00 24.23 H ATOM 142 HG3 GLU A 9 5.608 7.100 -7.491 1.00 52.44 H ATOM 143 N ASN A 10 6.208 6.128 -4.948 1.00 73.42 N ATOM 144 CA ASN A 10 7.525 6.527 -4.467 1.00 42.44 C ATOM 145 C ASN A 10 8.127 5.450 -3.571 1.00 21.23 C ATOM 146 O ASN A 10 9.335 5.430 -3.331 1.00 73.23 O ATOM 147 CB ASN A 10 7.432 7.850 -3.703 1.00 25.50 C ATOM 148 CG ASN A 10 8.645 8.733 -3.926 1.00 72.23 C ATOM 149 OD1 ASN A 10 8.627 9.628 -4.771 1.00 41.20 O ATOM 150 ND2 ASN A 10 9.706 8.484 -3.168 1.00 30.41 N ATOM 151 H ASN A 10 5.418 6.620 -4.643 1.00 13.44 H ATOM 152 HA ASN A 10 8.164 6.663 -5.327 1.00 25.23 H ATOM 153 HB2 ASN A 10 6.555 8.387 -4.031 1.00 15.02 H ATOM 154 HB3 ASN A 10 7.350 7.643 -2.647 1.00 14.14 H ATOM 155 HD21 ASN A 10 9.648 7.754 -2.516 1.00 3.13 H ATOM 156 HD22 ASN A 10 10.503 9.040 -3.291 1.00 22.01 H ATOM 157 N TYR A 11 7.277 4.555 -3.078 1.00 44.43 N ATOM 158 CA TYR A 11 7.725 3.475 -2.207 1.00 15.55 C ATOM 159 C TYR A 11 8.449 2.396 -3.004 1.00 64.14 C ATOM 160 O TYR A 11 8.298 2.279 -4.221 1.00 12.33 O ATOM 161 CB TYR A 11 6.534 2.865 -1.465 1.00 23.41 C ATOM 162 CG TYR A 11 6.191 3.580 -0.178 1.00 30.12 C ATOM 163 CD1 TYR A 11 6.109 4.966 -0.131 1.00 23.05 C ATOM 164 CD2 TYR A 11 5.947 2.869 0.991 1.00 2.00 C ATOM 165 CE1 TYR A 11 5.797 5.623 1.043 1.00 13.45 C ATOM 166 CE2 TYR A 11 5.632 3.518 2.169 1.00 5.13 C ATOM 167 CZ TYR A 11 5.559 4.895 2.190 1.00 11.25 C ATOM 168 OH TYR A 11 5.246 5.546 3.362 1.00 52.44 O ATOM 169 H TYR A 11 6.327 4.624 -3.305 1.00 35.51 H ATOM 170 HA TYR A 11 8.410 3.894 -1.484 1.00 54.41 H ATOM 171 HB2 TYR A 11 5.665 2.898 -2.104 1.00 24.52 H ATOM 172 HB3 TYR A 11 6.759 1.836 -1.223 1.00 71.15 H ATOM 173 HD1 TYR A 11 6.296 5.533 -1.031 1.00 53.30 H ATOM 174 HD2 TYR A 11 6.006 1.790 0.971 1.00 13.33 H ATOM 175 HE1 TYR A 11 5.739 6.702 1.060 1.00 35.22 H ATOM 176 HE2 TYR A 11 5.446 2.948 3.068 1.00 45.42 H ATOM 177 HH TYR A 11 4.397 5.985 3.267 1.00 70.23 H ATOM 178 N PRO A 12 9.257 1.586 -2.304 1.00 30.11 N ATOM 179 CA PRO A 12 10.021 0.500 -2.925 1.00 3.01 C ATOM 180 C PRO A 12 9.127 -0.640 -3.400 1.00 23.32 C ATOM 181 O PRO A 12 8.336 -1.185 -2.629 1.00 45.22 O ATOM 182 CB PRO A 12 10.941 0.024 -1.798 1.00 4.31 C ATOM 183 CG PRO A 12 10.228 0.396 -0.544 1.00 42.30 C ATOM 184 CD PRO A 12 9.486 1.667 -0.851 1.00 54.25 C ATOM 185 HA PRO A 12 10.617 0.857 -3.752 1.00 43.10 H ATOM 186 HB2 PRO A 12 11.082 -1.045 -1.871 1.00 74.04 H ATOM 187 HB3 PRO A 12 11.896 0.524 -1.872 1.00 74.01 H ATOM 188 HG2 PRO A 12 9.536 -0.385 -0.269 1.00 63.24 H ATOM 189 HG3 PRO A 12 10.943 0.563 0.249 1.00 74.43 H ATOM 190 HD2 PRO A 12 8.549 1.696 -0.315 1.00 10.43 H ATOM 191 HD3 PRO A 12 10.091 2.527 -0.605 1.00 11.02 H ATOM 192 N VAL A 13 9.258 -0.998 -4.673 1.00 41.34 N ATOM 193 CA VAL A 13 8.463 -2.075 -5.251 1.00 11.13 C ATOM 194 C VAL A 13 8.855 -3.425 -4.660 1.00 41.44 C ATOM 195 O VAL A 13 8.063 -4.367 -4.658 1.00 52.43 O ATOM 196 CB VAL A 13 8.621 -2.131 -6.782 1.00 4.02 C ATOM 197 CG1 VAL A 13 7.649 -3.134 -7.383 1.00 21.50 C ATOM 198 CG2 VAL A 13 8.419 -0.751 -7.389 1.00 2.12 C ATOM 199 H VAL A 13 9.905 -0.526 -5.238 1.00 64.11 H ATOM 200 HA VAL A 13 7.424 -1.882 -5.024 1.00 44.31 H ATOM 201 HB VAL A 13 9.626 -2.457 -7.008 1.00 0.12 H ATOM 202 HG11 VAL A 13 7.347 -2.799 -8.364 1.00 62.04 H ATOM 203 HG12 VAL A 13 8.130 -4.099 -7.463 1.00 14.45 H ATOM 204 HG13 VAL A 13 6.779 -3.217 -6.748 1.00 51.23 H ATOM 205 HG21 VAL A 13 9.369 -0.240 -7.447 1.00 14.02 H ATOM 206 HG22 VAL A 13 8.003 -0.852 -8.380 1.00 11.10 H ATOM 207 HG23 VAL A 13 7.741 -0.181 -6.770 1.00 41.33 H ATOM 208 N SER A 14 10.083 -3.511 -4.160 1.00 3.15 N ATOM 209 CA SER A 14 10.583 -4.747 -3.569 1.00 12.14 C ATOM 210 C SER A 14 9.760 -5.135 -2.344 1.00 11.21 C ATOM 211 O SER A 14 9.611 -6.316 -2.030 1.00 14.12 O ATOM 212 CB SER A 14 12.055 -4.593 -3.180 1.00 74.14 C ATOM 213 OG SER A 14 12.904 -4.891 -4.275 1.00 4.43 O ATOM 214 H SER A 14 10.668 -2.725 -4.191 1.00 2.13 H ATOM 215 HA SER A 14 10.494 -5.528 -4.309 1.00 44.22 H ATOM 216 HB2 SER A 14 12.237 -3.577 -2.865 1.00 33.23 H ATOM 217 HB3 SER A 14 12.282 -5.269 -2.369 1.00 3.13 H ATOM 218 HG SER A 14 13.805 -5.002 -3.960 1.00 75.32 H ATOM 219 N LYS A 15 9.227 -4.131 -1.655 1.00 24.32 N ATOM 220 CA LYS A 15 8.418 -4.364 -0.465 1.00 30.44 C ATOM 221 C LYS A 15 7.093 -5.027 -0.829 1.00 23.23 C ATOM 222 O LYS A 15 6.526 -5.781 -0.037 1.00 1.30 O ATOM 223 CB LYS A 15 8.157 -3.045 0.266 1.00 74.31 C ATOM 224 CG LYS A 15 9.105 -2.794 1.425 1.00 11.14 C ATOM 225 CD LYS A 15 10.557 -2.843 0.979 1.00 34.24 C ATOM 226 CE LYS A 15 11.446 -2.004 1.884 1.00 64.23 C ATOM 227 NZ LYS A 15 11.813 -2.731 3.131 1.00 75.13 N ATOM 228 H LYS A 15 9.382 -3.211 -1.955 1.00 11.40 H ATOM 229 HA LYS A 15 8.970 -5.024 0.188 1.00 74.23 H ATOM 230 HB2 LYS A 15 8.258 -2.232 -0.438 1.00 14.04 H ATOM 231 HB3 LYS A 15 7.147 -3.054 0.650 1.00 74.42 H ATOM 232 HG2 LYS A 15 8.900 -1.818 1.841 1.00 24.51 H ATOM 233 HG3 LYS A 15 8.944 -3.550 2.181 1.00 72.24 H ATOM 234 HD2 LYS A 15 10.898 -3.867 1.007 1.00 23.21 H ATOM 235 HD3 LYS A 15 10.627 -2.466 -0.031 1.00 53.30 H ATOM 236 HE2 LYS A 15 12.348 -1.752 1.346 1.00 33.04 H ATOM 237 HE3 LYS A 15 10.919 -1.099 2.146 1.00 33.12 H ATOM 238 HZ1 LYS A 15 12.829 -2.623 3.323 1.00 52.44 H ATOM 239 HZ2 LYS A 15 11.595 -3.743 3.031 1.00 64.43 H ATOM 240 HZ3 LYS A 15 11.276 -2.351 3.936 1.00 31.23 H ATOM 241 N CYS A 16 6.606 -4.743 -2.032 1.00 33.12 N ATOM 242 CA CYS A 16 5.348 -5.312 -2.502 1.00 25.12 C ATOM 243 C CYS A 16 5.358 -6.833 -2.374 1.00 10.33 C ATOM 244 O CYS A 16 4.315 -7.455 -2.176 1.00 53.31 O ATOM 245 CB CYS A 16 5.097 -4.913 -3.957 1.00 73.53 C ATOM 246 SG CYS A 16 3.596 -5.650 -4.681 1.00 61.41 S ATOM 247 H CYS A 16 7.104 -4.135 -2.619 1.00 31.14 H ATOM 248 HA CYS A 16 4.555 -4.916 -1.887 1.00 34.41 H ATOM 249 HB2 CYS A 16 4.995 -3.839 -4.016 1.00 23.41 H ATOM 250 HB3 CYS A 16 5.939 -5.224 -4.558 1.00 53.53 H ATOM 251 N GLN A 17 6.543 -7.423 -2.488 1.00 23.14 N ATOM 252 CA GLN A 17 6.688 -8.870 -2.385 1.00 22.40 C ATOM 253 C GLN A 17 6.167 -9.376 -1.044 1.00 15.00 C ATOM 254 O GLN A 17 5.791 -10.542 -0.912 1.00 12.55 O ATOM 255 CB GLN A 17 8.154 -9.271 -2.559 1.00 42.11 C ATOM 256 CG GLN A 17 8.797 -8.696 -3.811 1.00 24.21 C ATOM 257 CD GLN A 17 8.116 -9.161 -5.083 1.00 1.11 C ATOM 258 OE1 GLN A 17 7.646 -8.350 -5.881 1.00 51.30 O ATOM 259 NE2 GLN A 17 8.059 -10.473 -5.279 1.00 64.01 N ATOM 260 H GLN A 17 7.338 -6.873 -2.645 1.00 22.03 H ATOM 261 HA GLN A 17 6.106 -9.319 -3.176 1.00 11.54 H ATOM 262 HB2 GLN A 17 8.713 -8.926 -1.702 1.00 64.41 H ATOM 263 HB3 GLN A 17 8.217 -10.348 -2.611 1.00 0.13 H ATOM 264 HG2 GLN A 17 8.744 -7.619 -3.766 1.00 13.44 H ATOM 265 HG3 GLN A 17 9.832 -9.003 -3.841 1.00 44.01 H ATOM 266 HE21 GLN A 17 8.454 -11.060 -4.600 1.00 2.44 H ATOM 267 HE22 GLN A 17 7.624 -10.801 -6.092 1.00 61.13 H ATOM 268 N LEU A 18 6.146 -8.493 -0.052 1.00 2.12 N ATOM 269 CA LEU A 18 5.671 -8.850 1.280 1.00 14.43 C ATOM 270 C LEU A 18 4.312 -8.216 1.561 1.00 75.51 C ATOM 271 O LEU A 18 4.090 -7.043 1.265 1.00 13.45 O ATOM 272 CB LEU A 18 6.681 -8.406 2.340 1.00 70.22 C ATOM 273 CG LEU A 18 8.105 -8.937 2.173 1.00 62.13 C ATOM 274 CD1 LEU A 18 9.079 -8.126 3.014 1.00 61.43 C ATOM 275 CD2 LEU A 18 8.173 -10.410 2.547 1.00 34.52 C ATOM 276 H LEU A 18 6.458 -7.579 -0.218 1.00 21.21 H ATOM 277 HA LEU A 18 5.569 -9.924 1.319 1.00 54.10 H ATOM 278 HB2 LEU A 18 6.726 -7.328 2.323 1.00 61.21 H ATOM 279 HB3 LEU A 18 6.315 -8.735 3.302 1.00 1.54 H ATOM 280 HG LEU A 18 8.399 -8.841 1.137 1.00 44.44 H ATOM 281 HD11 LEU A 18 9.343 -7.222 2.487 1.00 12.22 H ATOM 282 HD12 LEU A 18 9.970 -8.710 3.196 1.00 55.23 H ATOM 283 HD13 LEU A 18 8.616 -7.873 3.956 1.00 22.34 H ATOM 284 HD21 LEU A 18 7.172 -10.809 2.622 1.00 72.03 H ATOM 285 HD22 LEU A 18 8.675 -10.517 3.497 1.00 32.24 H ATOM 286 HD23 LEU A 18 8.720 -10.950 1.788 1.00 23.11 H ATOM 287 N ALA A 19 3.406 -9.002 2.135 1.00 11.30 N ATOM 288 CA ALA A 19 2.070 -8.517 2.460 1.00 42.33 C ATOM 289 C ALA A 19 2.024 -7.937 3.869 1.00 22.13 C ATOM 290 O ALA A 19 1.231 -7.042 4.157 1.00 41.44 O ATOM 291 CB ALA A 19 1.052 -9.638 2.314 1.00 10.14 C ATOM 292 H ALA A 19 3.642 -9.929 2.346 1.00 4.45 H ATOM 293 HA ALA A 19 1.816 -7.739 1.753 1.00 25.41 H ATOM 294 HB1 ALA A 19 0.283 -9.525 3.064 1.00 41.31 H ATOM 295 HB2 ALA A 19 0.606 -9.593 1.331 1.00 23.02 H ATOM 296 HB3 ALA A 19 1.544 -10.590 2.444 1.00 63.11 H ATOM 297 N ASN A 20 2.880 -8.455 4.745 1.00 15.42 N ATOM 298 CA ASN A 20 2.935 -7.989 6.126 1.00 1.41 C ATOM 299 C ASN A 20 3.752 -6.705 6.235 1.00 45.04 C ATOM 300 O ASN A 20 3.651 -5.975 7.220 1.00 23.34 O ATOM 301 CB ASN A 20 3.538 -9.068 7.027 1.00 64.43 C ATOM 302 CG ASN A 20 2.579 -10.216 7.275 1.00 21.33 C ATOM 303 OD1 ASN A 20 1.573 -10.361 6.581 1.00 51.52 O ATOM 304 ND2 ASN A 20 2.887 -11.040 8.270 1.00 3.35 N ATOM 305 H ASN A 20 3.488 -9.167 4.457 1.00 55.15 H ATOM 306 HA ASN A 20 1.925 -7.787 6.448 1.00 12.35 H ATOM 307 HB2 ASN A 20 4.428 -9.463 6.558 1.00 21.51 H ATOM 308 HB3 ASN A 20 3.802 -8.630 7.978 1.00 75.33 H ATOM 309 HD21 ASN A 20 3.705 -10.863 8.782 1.00 71.24 H ATOM 310 HD22 ASN A 20 2.285 -11.791 8.453 1.00 52.23 H ATOM 311 N GLN A 21 4.561 -6.437 5.214 1.00 10.23 N ATOM 312 CA GLN A 21 5.396 -5.241 5.196 1.00 74.35 C ATOM 313 C GLN A 21 4.600 -4.030 4.721 1.00 44.41 C ATOM 314 O GLN A 21 4.745 -2.930 5.257 1.00 75.41 O ATOM 315 CB GLN A 21 6.610 -5.456 4.290 1.00 10.34 C ATOM 316 CG GLN A 21 7.558 -4.268 4.252 1.00 12.24 C ATOM 317 CD GLN A 21 7.787 -3.660 5.622 1.00 13.12 C ATOM 318 OE1 GLN A 21 8.048 -4.370 6.594 1.00 73.24 O ATOM 319 NE2 GLN A 21 7.690 -2.338 5.707 1.00 23.23 N ATOM 320 H GLN A 21 4.597 -7.057 4.457 1.00 24.14 H ATOM 321 HA GLN A 21 5.737 -5.060 6.203 1.00 1.23 H ATOM 322 HB2 GLN A 21 7.159 -6.316 4.642 1.00 21.14 H ATOM 323 HB3 GLN A 21 6.265 -5.645 3.285 1.00 62.44 H ATOM 324 HG2 GLN A 21 8.508 -4.594 3.857 1.00 24.35 H ATOM 325 HG3 GLN A 21 7.140 -3.512 3.604 1.00 44.40 H ATOM 326 HE21 GLN A 21 7.478 -1.837 4.892 1.00 41.32 H ATOM 327 HE22 GLN A 21 7.833 -1.919 6.580 1.00 13.05 H ATOM 328 N CYS A 22 3.761 -4.237 3.712 1.00 31.30 N ATOM 329 CA CYS A 22 2.943 -3.162 3.164 1.00 72.43 C ATOM 330 C CYS A 22 1.987 -2.614 4.219 1.00 1.43 C ATOM 331 O CYS A 22 2.054 -1.440 4.581 1.00 54.41 O ATOM 332 CB CYS A 22 2.151 -3.662 1.954 1.00 60.33 C ATOM 333 SG CYS A 22 2.699 -2.960 0.365 1.00 52.42 S ATOM 334 H CYS A 22 3.690 -5.136 3.326 1.00 72.20 H ATOM 335 HA CYS A 22 3.604 -2.370 2.848 1.00 50.02 H ATOM 336 HB2 CYS A 22 2.249 -4.736 1.888 1.00 33.21 H ATOM 337 HB3 CYS A 22 1.110 -3.408 2.085 1.00 74.24 H ATOM 338 N ASN A 23 1.099 -3.472 4.709 1.00 20.42 N ATOM 339 CA ASN A 23 0.129 -3.074 5.723 1.00 23.11 C ATOM 340 C ASN A 23 0.831 -2.510 6.955 1.00 72.11 C ATOM 341 O ASN A 23 0.290 -1.651 7.652 1.00 75.42 O ATOM 342 CB ASN A 23 -0.743 -4.266 6.120 1.00 33.44 C ATOM 343 CG ASN A 23 -0.201 -5.002 7.330 1.00 22.15 C ATOM 344 OD1 ASN A 23 -0.792 -4.965 8.410 1.00 44.31 O ATOM 345 ND2 ASN A 23 0.930 -5.676 7.155 1.00 1.22 N ATOM 346 H ASN A 23 1.095 -4.396 4.381 1.00 1.12 H ATOM 347 HA ASN A 23 -0.499 -2.306 5.297 1.00 5.04 H ATOM 348 HB2 ASN A 23 -1.738 -3.915 6.353 1.00 10.13 H ATOM 349 HB3 ASN A 23 -0.795 -4.959 5.294 1.00 41.12 H ATOM 350 HD21 ASN A 23 1.345 -5.661 6.267 1.00 5.25 H ATOM 351 HD22 ASN A 23 1.303 -6.161 7.921 1.00 53.03 H ATOM 352 N TYR A 24 2.038 -2.998 7.217 1.00 62.24 N ATOM 353 CA TYR A 24 2.814 -2.545 8.365 1.00 15.40 C ATOM 354 C TYR A 24 3.274 -1.102 8.176 1.00 34.34 C ATOM 355 O TYR A 24 3.203 -0.291 9.099 1.00 13.53 O ATOM 356 CB TYR A 24 4.025 -3.454 8.581 1.00 55.14 C ATOM 357 CG TYR A 24 5.001 -2.929 9.609 1.00 15.11 C ATOM 358 CD1 TYR A 24 4.695 -2.960 10.964 1.00 22.14 C ATOM 359 CD2 TYR A 24 6.227 -2.401 9.226 1.00 2.11 C ATOM 360 CE1 TYR A 24 5.583 -2.481 11.908 1.00 44.12 C ATOM 361 CE2 TYR A 24 7.122 -1.921 10.163 1.00 40.04 C ATOM 362 CZ TYR A 24 6.796 -1.963 11.502 1.00 14.10 C ATOM 363 OH TYR A 24 7.684 -1.484 12.438 1.00 72.41 O ATOM 364 H TYR A 24 2.417 -3.681 6.624 1.00 33.14 H ATOM 365 HA TYR A 24 2.177 -2.597 9.236 1.00 2.43 H ATOM 366 HB2 TYR A 24 3.684 -4.423 8.912 1.00 42.14 H ATOM 367 HB3 TYR A 24 4.554 -3.564 7.646 1.00 44.23 H ATOM 368 HD1 TYR A 24 3.745 -3.367 11.279 1.00 11.52 H ATOM 369 HD2 TYR A 24 6.479 -2.369 8.176 1.00 65.21 H ATOM 370 HE1 TYR A 24 5.328 -2.514 12.957 1.00 45.31 H ATOM 371 HE2 TYR A 24 8.071 -1.515 9.845 1.00 1.20 H ATOM 372 HH TYR A 24 8.008 -2.213 12.973 1.00 52.20 H ATOM 373 N ASP A 25 3.745 -0.791 6.974 1.00 74.21 N ATOM 374 CA ASP A 25 4.215 0.553 6.662 1.00 42.35 C ATOM 375 C ASP A 25 3.041 1.500 6.432 1.00 5.33 C ATOM 376 O ASP A 25 3.150 2.706 6.656 1.00 11.35 O ATOM 377 CB ASP A 25 5.115 0.527 5.425 1.00 53.33 C ATOM 378 CG ASP A 25 6.150 1.635 5.438 1.00 31.23 C ATOM 379 OD1 ASP A 25 5.921 2.653 6.124 1.00 55.52 O ATOM 380 OD2 ASP A 25 7.190 1.483 4.764 1.00 32.42 O ATOM 381 H ASP A 25 3.776 -1.482 6.279 1.00 31.23 H ATOM 382 HA ASP A 25 4.788 0.908 7.505 1.00 44.34 H ATOM 383 HB2 ASP A 25 5.630 -0.421 5.382 1.00 23.23 H ATOM 384 HB3 ASP A 25 4.504 0.640 4.541 1.00 10.31 H ATOM 385 N CYS A 26 1.920 0.947 5.983 1.00 21.43 N ATOM 386 CA CYS A 26 0.726 1.741 5.722 1.00 71.13 C ATOM 387 C CYS A 26 -0.010 2.060 7.020 1.00 74.33 C ATOM 388 O CYS A 26 -0.330 3.216 7.298 1.00 63.21 O ATOM 389 CB CYS A 26 -0.206 0.998 4.763 1.00 74.31 C ATOM 390 SG CYS A 26 0.356 0.997 3.030 1.00 14.51 S ATOM 391 H CYS A 26 1.895 -0.021 5.823 1.00 12.24 H ATOM 392 HA CYS A 26 1.037 2.667 5.262 1.00 30.41 H ATOM 393 HB2 CYS A 26 -0.290 -0.032 5.080 1.00 14.43 H ATOM 394 HB3 CYS A 26 -1.183 1.459 4.793 1.00 64.35 H ATOM 395 N LYS A 27 -0.277 1.026 7.811 1.00 1.43 N ATOM 396 CA LYS A 27 -0.974 1.194 9.081 1.00 41.31 C ATOM 397 C LYS A 27 -0.103 1.942 10.085 1.00 3.21 C ATOM 398 O LYS A 27 -0.582 2.384 11.130 1.00 1.32 O ATOM 399 CB LYS A 27 -1.373 -0.169 9.651 1.00 1.54 C ATOM 400 CG LYS A 27 -2.290 -0.965 8.740 1.00 55.55 C ATOM 401 CD LYS A 27 -2.161 -2.459 8.984 1.00 5.42 C ATOM 402 CE LYS A 27 -2.993 -2.902 10.177 1.00 31.52 C ATOM 403 NZ LYS A 27 -2.267 -2.710 11.463 1.00 41.41 N ATOM 404 H LYS A 27 0.003 0.128 7.535 1.00 41.11 H ATOM 405 HA LYS A 27 -1.866 1.773 8.896 1.00 72.24 H ATOM 406 HB2 LYS A 27 -0.479 -0.749 9.824 1.00 64.14 H ATOM 407 HB3 LYS A 27 -1.880 -0.016 10.593 1.00 21.45 H ATOM 408 HG2 LYS A 27 -3.312 -0.668 8.924 1.00 33.11 H ATOM 409 HG3 LYS A 27 -2.033 -0.753 7.711 1.00 24.54 H ATOM 410 HD2 LYS A 27 -2.498 -2.989 8.107 1.00 75.35 H ATOM 411 HD3 LYS A 27 -1.123 -2.695 9.173 1.00 43.35 H ATOM 412 HE2 LYS A 27 -3.905 -2.325 10.198 1.00 25.04 H ATOM 413 HE3 LYS A 27 -3.233 -3.949 10.062 1.00 21.34 H ATOM 414 HZ1 LYS A 27 -2.670 -1.905 11.984 1.00 33.32 H ATOM 415 HZ2 LYS A 27 -1.261 -2.521 11.280 1.00 44.14 H ATOM 416 HZ3 LYS A 27 -2.346 -3.564 12.050 1.00 72.33 H ATOM 417 N LEU A 28 1.178 2.082 9.761 1.00 21.25 N ATOM 418 CA LEU A 28 2.116 2.778 10.635 1.00 44.32 C ATOM 419 C LEU A 28 1.979 4.290 10.487 1.00 52.13 C ATOM 420 O LEU A 28 1.638 4.989 11.441 1.00 35.11 O ATOM 421 CB LEU A 28 3.551 2.352 10.318 1.00 31.24 C ATOM 422 CG LEU A 28 4.657 3.193 10.956 1.00 43.02 C ATOM 423 CD1 LEU A 28 4.625 3.059 12.470 1.00 33.23 C ATOM 424 CD2 LEU A 28 6.018 2.785 10.412 1.00 65.45 C ATOM 425 H LEU A 28 1.501 1.708 8.916 1.00 45.44 H ATOM 426 HA LEU A 28 1.885 2.506 11.654 1.00 71.02 H ATOM 427 HB2 LEU A 28 3.675 1.334 10.654 1.00 32.22 H ATOM 428 HB3 LEU A 28 3.678 2.393 9.246 1.00 44.31 H ATOM 429 HG LEU A 28 4.496 4.234 10.710 1.00 25.20 H ATOM 430 HD11 LEU A 28 3.712 3.491 12.850 1.00 14.33 H ATOM 431 HD12 LEU A 28 5.472 3.575 12.896 1.00 42.43 H ATOM 432 HD13 LEU A 28 4.668 2.014 12.740 1.00 63.41 H ATOM 433 HD21 LEU A 28 5.941 2.597 9.351 1.00 14.40 H ATOM 434 HD22 LEU A 28 6.351 1.888 10.913 1.00 64.45 H ATOM 435 HD23 LEU A 28 6.729 3.579 10.587 1.00 43.45 H ATOM 436 N ASP A 29 2.245 4.788 9.284 1.00 35.01 N ATOM 437 CA ASP A 29 2.147 6.217 9.010 1.00 62.14 C ATOM 438 C ASP A 29 0.773 6.570 8.449 1.00 0.32 C ATOM 439 O ASP A 29 0.107 7.483 8.938 1.00 32.34 O ATOM 440 CB ASP A 29 3.238 6.644 8.026 1.00 10.54 C ATOM 441 CG ASP A 29 4.519 7.054 8.725 1.00 2.55 C ATOM 442 OD1 ASP A 29 5.027 6.262 9.546 1.00 3.14 O ATOM 443 OD2 ASP A 29 5.014 8.167 8.451 1.00 43.40 O ATOM 444 H ASP A 29 2.512 4.180 8.563 1.00 31.33 H ATOM 445 HA ASP A 29 2.288 6.744 9.941 1.00 65.00 H ATOM 446 HB2 ASP A 29 3.460 5.820 7.364 1.00 55.43 H ATOM 447 HB3 ASP A 29 2.882 7.482 7.446 1.00 54.44 H ATOM 448 N LYS A 30 0.355 5.842 7.419 1.00 12.43 N ATOM 449 CA LYS A 30 -0.940 6.078 6.791 1.00 21.41 C ATOM 450 C LYS A 30 -2.077 5.646 7.711 1.00 14.12 C ATOM 451 O LYS A 30 -3.246 5.929 7.445 1.00 40.30 O ATOM 452 CB LYS A 30 -1.030 5.323 5.463 1.00 40.02 C ATOM 453 CG LYS A 30 -0.838 6.210 4.245 1.00 1.30 C ATOM 454 CD LYS A 30 -2.156 6.799 3.771 1.00 60.04 C ATOM 455 CE LYS A 30 -2.452 8.125 4.454 1.00 41.44 C ATOM 456 NZ LYS A 30 -3.312 9.003 3.612 1.00 20.21 N ATOM 457 H LYS A 30 0.931 5.128 7.073 1.00 1.34 H ATOM 458 HA LYS A 30 -1.029 7.136 6.601 1.00 42.43 H ATOM 459 HB2 LYS A 30 -0.270 4.555 5.446 1.00 15.34 H ATOM 460 HB3 LYS A 30 -2.002 4.857 5.393 1.00 73.13 H ATOM 461 HG2 LYS A 30 -0.167 7.017 4.501 1.00 51.04 H ATOM 462 HG3 LYS A 30 -0.409 5.622 3.446 1.00 24.15 H ATOM 463 HD2 LYS A 30 -2.106 6.960 2.704 1.00 65.20 H ATOM 464 HD3 LYS A 30 -2.952 6.103 3.994 1.00 13.13 H ATOM 465 HE2 LYS A 30 -2.956 7.930 5.387 1.00 35.13 H ATOM 466 HE3 LYS A 30 -1.518 8.631 4.648 1.00 3.14 H ATOM 467 HZ1 LYS A 30 -3.014 9.994 3.708 1.00 1.34 H ATOM 468 HZ2 LYS A 30 -4.305 8.920 3.909 1.00 33.13 H ATOM 469 HZ3 LYS A 30 -3.237 8.725 2.613 1.00 62.30 H ATOM 470 N HIS A 31 -1.728 4.961 8.795 1.00 32.33 N ATOM 471 CA HIS A 31 -2.721 4.492 9.756 1.00 5.11 C ATOM 472 C HIS A 31 -3.827 3.708 9.056 1.00 4.22 C ATOM 473 O HIS A 31 -4.950 3.624 9.552 1.00 41.34 O ATOM 474 CB HIS A 31 -3.321 5.674 10.518 1.00 21.35 C ATOM 475 CG HIS A 31 -3.777 5.325 11.902 1.00 71.44 C ATOM 476 ND1 HIS A 31 -3.725 6.210 12.957 1.00 10.32 N ATOM 477 CD2 HIS A 31 -4.298 4.179 12.399 1.00 24.53 C ATOM 478 CE1 HIS A 31 -4.192 5.624 14.045 1.00 71.52 C ATOM 479 NE2 HIS A 31 -4.547 4.390 13.733 1.00 22.01 N ATOM 480 H HIS A 31 -0.781 4.766 8.953 1.00 40.02 H ATOM 481 HA HIS A 31 -2.222 3.839 10.456 1.00 3.43 H ATOM 482 HB2 HIS A 31 -2.579 6.454 10.602 1.00 50.35 H ATOM 483 HB3 HIS A 31 -4.174 6.051 9.972 1.00 24.31 H ATOM 484 HD1 HIS A 31 -3.393 7.131 12.916 1.00 55.12 H ATOM 485 HD2 HIS A 31 -4.483 3.266 11.850 1.00 65.10 H ATOM 486 HE1 HIS A 31 -4.271 6.075 15.022 1.00 35.14 H ATOM 487 N ALA A 32 -3.500 3.137 7.902 1.00 74.44 N ATOM 488 CA ALA A 32 -4.466 2.359 7.135 1.00 63.13 C ATOM 489 C ALA A 32 -4.960 1.157 7.932 1.00 24.31 C ATOM 490 O ALA A 32 -4.768 1.084 9.146 1.00 63.20 O ATOM 491 CB ALA A 32 -3.852 1.906 5.818 1.00 24.55 C ATOM 492 H ALA A 32 -2.589 3.239 7.558 1.00 4.42 H ATOM 493 HA ALA A 32 -5.307 2.999 6.910 1.00 43.14 H ATOM 494 HB1 ALA A 32 -3.386 2.748 5.330 1.00 51.23 H ATOM 495 HB2 ALA A 32 -3.108 1.145 6.012 1.00 55.50 H ATOM 496 HB3 ALA A 32 -4.624 1.501 5.182 1.00 61.23 H ATOM 497 N ARG A 33 -5.597 0.216 7.242 1.00 3.23 N ATOM 498 CA ARG A 33 -6.120 -0.982 7.887 1.00 21.02 C ATOM 499 C ARG A 33 -5.733 -2.234 7.105 1.00 51.44 C ATOM 500 O ARG A 33 -5.335 -3.243 7.686 1.00 40.11 O ATOM 501 CB ARG A 33 -7.642 -0.896 8.013 1.00 71.23 C ATOM 502 CG ARG A 33 -8.134 0.436 8.553 1.00 15.25 C ATOM 503 CD ARG A 33 -9.408 0.271 9.368 1.00 24.54 C ATOM 504 NE ARG A 33 -9.131 -0.173 10.732 1.00 2.21 N ATOM 505 CZ ARG A 33 -8.675 0.630 11.688 1.00 71.25 C ATOM 506 NH1 ARG A 33 -8.447 1.910 11.429 1.00 3.15 N ATOM 507 NH2 ARG A 33 -8.448 0.152 12.904 1.00 5.14 N ATOM 508 H ARG A 33 -5.719 0.331 6.277 1.00 43.14 H ATOM 509 HA ARG A 33 -5.689 -1.042 8.875 1.00 20.23 H ATOM 510 HB2 ARG A 33 -8.081 -1.048 7.038 1.00 74.23 H ATOM 511 HB3 ARG A 33 -7.981 -1.677 8.677 1.00 41.11 H ATOM 512 HG2 ARG A 33 -7.369 0.863 9.185 1.00 32.10 H ATOM 513 HG3 ARG A 33 -8.331 1.100 7.725 1.00 74.34 H ATOM 514 HD2 ARG A 33 -9.921 1.220 9.406 1.00 32.41 H ATOM 515 HD3 ARG A 33 -10.037 -0.460 8.883 1.00 71.12 H ATOM 516 HE ARG A 33 -9.293 -1.115 10.945 1.00 64.23 H ATOM 517 HH11 ARG A 33 -8.618 2.273 10.514 1.00 73.02 H ATOM 518 HH12 ARG A 33 -8.105 2.513 12.151 1.00 22.40 H ATOM 519 HH21 ARG A 33 -8.619 -0.812 13.103 1.00 62.53 H ATOM 520 HH22 ARG A 33 -8.105 0.757 13.623 1.00 65.35 H ATOM 521 N SER A 34 -5.854 -2.160 5.783 1.00 41.20 N ATOM 522 CA SER A 34 -5.521 -3.288 4.921 1.00 52.32 C ATOM 523 C SER A 34 -4.484 -2.886 3.876 1.00 13.23 C ATOM 524 O SER A 34 -4.554 -3.307 2.722 1.00 2.43 O ATOM 525 CB SER A 34 -6.779 -3.817 4.230 1.00 73.13 C ATOM 526 OG SER A 34 -7.501 -4.689 5.082 1.00 11.24 O ATOM 527 H SER A 34 -6.177 -1.327 5.379 1.00 61.34 H ATOM 528 HA SER A 34 -5.106 -4.068 5.541 1.00 33.12 H ATOM 529 HB2 SER A 34 -7.415 -2.988 3.961 1.00 15.52 H ATOM 530 HB3 SER A 34 -6.496 -4.357 3.338 1.00 73.41 H ATOM 531 HG SER A 34 -8.226 -4.210 5.490 1.00 34.13 H ATOM 532 N GLY A 35 -3.522 -2.067 4.291 1.00 20.30 N ATOM 533 CA GLY A 35 -2.484 -1.621 3.380 1.00 21.33 C ATOM 534 C GLY A 35 -1.837 -2.770 2.632 1.00 45.51 C ATOM 535 O GLY A 35 -1.238 -3.656 3.241 1.00 43.55 O ATOM 536 H GLY A 35 -3.517 -1.764 5.223 1.00 0.11 H ATOM 537 HA2 GLY A 35 -2.917 -0.938 2.665 1.00 1.33 H ATOM 538 HA3 GLY A 35 -1.724 -1.102 3.946 1.00 51.45 H ATOM 539 N GLU A 36 -1.958 -2.755 1.308 1.00 14.22 N ATOM 540 CA GLU A 36 -1.382 -3.805 0.477 1.00 61.10 C ATOM 541 C GLU A 36 -1.026 -3.270 -0.907 1.00 3.41 C ATOM 542 O GLU A 36 -1.447 -2.178 -1.290 1.00 3.30 O ATOM 543 CB GLU A 36 -2.358 -4.977 0.347 1.00 45.40 C ATOM 544 CG GLU A 36 -1.674 -6.319 0.149 1.00 22.02 C ATOM 545 CD GLU A 36 -2.629 -7.487 0.294 1.00 34.43 C ATOM 546 OE1 GLU A 36 -3.120 -7.717 1.419 1.00 33.02 O ATOM 547 OE2 GLU A 36 -2.886 -8.172 -0.718 1.00 73.11 O ATOM 548 H GLU A 36 -2.448 -2.021 0.881 1.00 63.21 H ATOM 549 HA GLU A 36 -0.480 -4.152 0.959 1.00 51.44 H ATOM 550 HB2 GLU A 36 -2.959 -5.030 1.243 1.00 63.03 H ATOM 551 HB3 GLU A 36 -3.004 -4.798 -0.499 1.00 53.13 H ATOM 552 HG2 GLU A 36 -1.243 -6.347 -0.840 1.00 72.15 H ATOM 553 HG3 GLU A 36 -0.889 -6.421 0.885 1.00 54.13 H ATOM 554 N CYS A 37 -0.247 -4.046 -1.653 1.00 5.05 N ATOM 555 CA CYS A 37 0.168 -3.651 -2.993 1.00 64.43 C ATOM 556 C CYS A 37 -0.628 -4.407 -4.053 1.00 41.25 C ATOM 557 O CYS A 37 -1.083 -5.527 -3.822 1.00 72.15 O ATOM 558 CB CYS A 37 1.664 -3.909 -3.183 1.00 65.43 C ATOM 559 SG CYS A 37 2.098 -5.669 -3.371 1.00 13.13 S ATOM 560 H CYS A 37 0.058 -4.906 -1.292 1.00 75.11 H ATOM 561 HA CYS A 37 -0.022 -2.595 -3.102 1.00 54.24 H ATOM 562 HB2 CYS A 37 2.001 -3.393 -4.071 1.00 1.25 H ATOM 563 HB3 CYS A 37 2.200 -3.528 -2.326 1.00 55.03 H ATOM 564 N PHE A 38 -0.792 -3.785 -5.217 1.00 24.53 N ATOM 565 CA PHE A 38 -1.533 -4.398 -6.313 1.00 12.12 C ATOM 566 C PHE A 38 -1.251 -3.679 -7.629 1.00 13.11 C ATOM 567 O PHE A 38 -0.778 -2.543 -7.639 1.00 4.51 O ATOM 568 CB PHE A 38 -3.034 -4.374 -6.017 1.00 73.21 C ATOM 569 CG PHE A 38 -3.537 -5.632 -5.367 1.00 51.44 C ATOM 570 CD1 PHE A 38 -3.374 -6.860 -5.987 1.00 32.22 C ATOM 571 CD2 PHE A 38 -4.173 -5.585 -4.137 1.00 54.23 C ATOM 572 CE1 PHE A 38 -3.835 -8.019 -5.392 1.00 34.35 C ATOM 573 CE2 PHE A 38 -4.636 -6.740 -3.537 1.00 72.51 C ATOM 574 CZ PHE A 38 -4.468 -7.959 -4.165 1.00 52.04 C ATOM 575 H PHE A 38 -0.405 -2.893 -5.341 1.00 22.14 H ATOM 576 HA PHE A 38 -1.208 -5.423 -6.400 1.00 32.13 H ATOM 577 HB2 PHE A 38 -3.250 -3.550 -5.354 1.00 54.24 H ATOM 578 HB3 PHE A 38 -3.574 -4.238 -6.942 1.00 62.41 H ATOM 579 HD1 PHE A 38 -2.879 -6.908 -6.947 1.00 32.33 H ATOM 580 HD2 PHE A 38 -4.307 -4.633 -3.645 1.00 44.41 H ATOM 581 HE1 PHE A 38 -3.702 -8.970 -5.886 1.00 33.12 H ATOM 582 HE2 PHE A 38 -5.131 -6.691 -2.579 1.00 0.35 H ATOM 583 HZ PHE A 38 -4.829 -8.863 -3.698 1.00 63.23 H ATOM 584 N TYR A 39 -1.545 -4.350 -8.737 1.00 54.30 N ATOM 585 CA TYR A 39 -1.321 -3.777 -10.059 1.00 72.21 C ATOM 586 C TYR A 39 -2.247 -2.589 -10.302 1.00 45.23 C ATOM 587 O TYR A 39 -3.414 -2.607 -9.912 1.00 52.14 O ATOM 588 CB TYR A 39 -1.539 -4.837 -11.140 1.00 41.14 C ATOM 589 CG TYR A 39 -2.958 -5.356 -11.202 1.00 64.33 C ATOM 590 CD1 TYR A 39 -3.920 -4.716 -11.973 1.00 11.23 C ATOM 591 CD2 TYR A 39 -3.335 -6.489 -10.491 1.00 11.42 C ATOM 592 CE1 TYR A 39 -5.217 -5.186 -12.031 1.00 75.53 C ATOM 593 CE2 TYR A 39 -4.630 -6.967 -10.545 1.00 21.33 C ATOM 594 CZ TYR A 39 -5.567 -6.313 -11.316 1.00 15.41 C ATOM 595 OH TYR A 39 -6.858 -6.785 -11.373 1.00 35.52 O ATOM 596 H TYR A 39 -1.921 -5.252 -8.665 1.00 3.03 H ATOM 597 HA TYR A 39 -0.297 -3.437 -10.104 1.00 11.42 H ATOM 598 HB2 TYR A 39 -1.299 -4.413 -12.103 1.00 74.45 H ATOM 599 HB3 TYR A 39 -0.886 -5.676 -10.949 1.00 72.00 H ATOM 600 HD1 TYR A 39 -3.642 -3.834 -12.532 1.00 74.12 H ATOM 601 HD2 TYR A 39 -2.599 -6.999 -9.887 1.00 65.35 H ATOM 602 HE1 TYR A 39 -5.952 -4.674 -12.636 1.00 24.24 H ATOM 603 HE2 TYR A 39 -4.905 -7.849 -9.984 1.00 44.04 H ATOM 604 HH TYR A 39 -7.333 -6.337 -12.077 1.00 44.10 H ATOM 605 N ASP A 40 -1.716 -1.557 -10.950 1.00 20.42 N ATOM 606 CA ASP A 40 -2.493 -0.360 -11.248 1.00 12.13 C ATOM 607 C ASP A 40 -2.914 -0.336 -12.714 1.00 32.12 C ATOM 608 O ASP A 40 -2.654 -1.280 -13.459 1.00 20.00 O ATOM 609 CB ASP A 40 -1.684 0.895 -10.916 1.00 62.22 C ATOM 610 CG ASP A 40 -0.278 0.843 -11.481 1.00 40.14 C ATOM 611 OD1 ASP A 40 -0.140 0.740 -12.718 1.00 24.30 O ATOM 612 OD2 ASP A 40 0.684 0.905 -10.687 1.00 71.00 O ATOM 613 H ASP A 40 -0.779 -1.603 -11.235 1.00 52.31 H ATOM 614 HA ASP A 40 -3.380 -0.378 -10.632 1.00 23.20 H ATOM 615 HB2 ASP A 40 -2.186 1.758 -11.328 1.00 44.42 H ATOM 616 HB3 ASP A 40 -1.618 1.000 -9.843 1.00 62.33 H ATOM 617 N GLU A 41 -3.567 0.749 -13.119 1.00 61.23 N ATOM 618 CA GLU A 41 -4.025 0.894 -14.496 1.00 34.51 C ATOM 619 C GLU A 41 -2.844 0.949 -15.460 1.00 62.30 C ATOM 620 O GLU A 41 -2.990 0.692 -16.655 1.00 70.42 O ATOM 621 CB GLU A 41 -4.877 2.156 -14.643 1.00 53.01 C ATOM 622 CG GLU A 41 -4.079 3.445 -14.540 1.00 64.54 C ATOM 623 CD GLU A 41 -4.962 4.676 -14.495 1.00 42.32 C ATOM 624 OE1 GLU A 41 -6.056 4.645 -15.096 1.00 42.02 O ATOM 625 OE2 GLU A 41 -4.558 5.672 -13.858 1.00 32.20 O ATOM 626 H GLU A 41 -3.745 1.468 -12.478 1.00 25.11 H ATOM 627 HA GLU A 41 -4.630 0.032 -14.736 1.00 54.42 H ATOM 628 HB2 GLU A 41 -5.367 2.135 -15.606 1.00 2.44 H ATOM 629 HB3 GLU A 41 -5.629 2.161 -13.867 1.00 62.54 H ATOM 630 HG2 GLU A 41 -3.484 3.414 -13.640 1.00 30.23 H ATOM 631 HG3 GLU A 41 -3.427 3.518 -15.398 1.00 44.33 H ATOM 632 N LYS A 42 -1.672 1.287 -14.932 1.00 34.31 N ATOM 633 CA LYS A 42 -0.464 1.376 -15.743 1.00 70.21 C ATOM 634 C LYS A 42 0.327 0.073 -15.686 1.00 21.03 C ATOM 635 O LYS A 42 1.533 0.057 -15.931 1.00 5.22 O ATOM 636 CB LYS A 42 0.411 2.537 -15.266 1.00 53.51 C ATOM 637 CG LYS A 42 -0.065 3.896 -15.751 1.00 64.05 C ATOM 638 CD LYS A 42 0.745 5.024 -15.133 1.00 34.51 C ATOM 639 CE LYS A 42 1.944 5.386 -15.995 1.00 2.54 C ATOM 640 NZ LYS A 42 3.111 4.502 -15.722 1.00 73.23 N ATOM 641 H LYS A 42 -1.619 1.480 -13.972 1.00 40.30 H ATOM 642 HA LYS A 42 -0.763 1.557 -16.764 1.00 63.04 H ATOM 643 HB2 LYS A 42 0.418 2.547 -14.186 1.00 64.31 H ATOM 644 HB3 LYS A 42 1.419 2.383 -15.623 1.00 52.54 H ATOM 645 HG2 LYS A 42 0.038 3.941 -16.825 1.00 64.25 H ATOM 646 HG3 LYS A 42 -1.104 4.021 -15.482 1.00 62.10 H ATOM 647 HD2 LYS A 42 0.113 5.894 -15.030 1.00 24.32 H ATOM 648 HD3 LYS A 42 1.093 4.712 -14.158 1.00 42.03 H ATOM 649 HE2 LYS A 42 1.667 5.292 -17.033 1.00 54.22 H ATOM 650 HE3 LYS A 42 2.223 6.409 -15.788 1.00 12.31 H ATOM 651 HZ1 LYS A 42 3.008 3.605 -16.239 1.00 41.43 H ATOM 652 HZ2 LYS A 42 3.174 4.297 -14.704 1.00 52.53 H ATOM 653 HZ3 LYS A 42 3.990 4.966 -16.026 1.00 40.30 H ATOM 654 N ARG A 43 -0.360 -1.018 -15.362 1.00 11.50 N ATOM 655 CA ARG A 43 0.279 -2.325 -15.273 1.00 50.11 C ATOM 656 C ARG A 43 1.511 -2.268 -14.375 1.00 1.22 C ATOM 657 O ARG A 43 2.466 -3.020 -14.566 1.00 11.32 O ATOM 658 CB ARG A 43 0.673 -2.820 -16.666 1.00 53.41 C ATOM 659 CG ARG A 43 -0.510 -3.260 -17.513 1.00 31.43 C ATOM 660 CD ARG A 43 -1.138 -2.086 -18.247 1.00 64.15 C ATOM 661 NE ARG A 43 -0.184 -1.420 -19.130 1.00 4.53 N ATOM 662 CZ ARG A 43 0.188 -1.903 -20.310 1.00 13.10 C ATOM 663 NH1 ARG A 43 -0.312 -3.050 -20.747 1.00 75.32 N ATOM 664 NH2 ARG A 43 1.061 -1.238 -21.056 1.00 11.13 N ATOM 665 H ARG A 43 -1.320 -0.941 -15.178 1.00 24.23 H ATOM 666 HA ARG A 43 -0.433 -3.014 -14.844 1.00 51.11 H ATOM 667 HB2 ARG A 43 1.183 -2.023 -17.187 1.00 62.14 H ATOM 668 HB3 ARG A 43 1.344 -3.658 -16.560 1.00 63.14 H ATOM 669 HG2 ARG A 43 -0.171 -3.985 -18.238 1.00 75.14 H ATOM 670 HG3 ARG A 43 -1.252 -3.711 -16.871 1.00 13.44 H ATOM 671 HD2 ARG A 43 -1.966 -2.449 -18.838 1.00 0.15 H ATOM 672 HD3 ARG A 43 -1.499 -1.375 -17.520 1.00 23.04 H ATOM 673 HE ARG A 43 0.198 -0.570 -18.826 1.00 64.22 H ATOM 674 HH11 ARG A 43 -0.971 -3.553 -20.188 1.00 13.01 H ATOM 675 HH12 ARG A 43 -0.032 -3.412 -21.637 1.00 11.51 H ATOM 676 HH21 ARG A 43 1.440 -0.373 -20.729 1.00 51.55 H ATOM 677 HH22 ARG A 43 1.340 -1.603 -21.944 1.00 12.55 H ATOM 678 N ASN A 44 1.482 -1.370 -13.395 1.00 72.11 N ATOM 679 CA ASN A 44 2.597 -1.214 -12.468 1.00 14.11 C ATOM 680 C ASN A 44 2.218 -1.707 -11.074 1.00 43.34 C ATOM 681 O ASN A 44 1.050 -1.667 -10.686 1.00 1.03 O ATOM 682 CB ASN A 44 3.031 0.252 -12.402 1.00 61.43 C ATOM 683 CG ASN A 44 4.115 0.579 -13.411 1.00 51.12 C ATOM 684 OD1 ASN A 44 4.303 -0.140 -14.392 1.00 71.33 O ATOM 685 ND2 ASN A 44 4.834 1.670 -13.173 1.00 62.34 N ATOM 686 H ASN A 44 0.692 -0.799 -13.293 1.00 41.33 H ATOM 687 HA ASN A 44 3.419 -1.808 -12.836 1.00 44.11 H ATOM 688 HB2 ASN A 44 2.178 0.883 -12.602 1.00 55.04 H ATOM 689 HB3 ASN A 44 3.408 0.466 -11.414 1.00 21.44 H ATOM 690 HD21 ASN A 44 4.628 2.195 -12.372 1.00 25.23 H ATOM 691 HD22 ASN A 44 5.541 1.905 -13.810 1.00 1.20 H ATOM 692 N LEU A 45 3.213 -2.170 -10.327 1.00 25.44 N ATOM 693 CA LEU A 45 2.986 -2.671 -8.975 1.00 42.42 C ATOM 694 C LEU A 45 3.387 -1.630 -7.935 1.00 13.33 C ATOM 695 O LEU A 45 4.539 -1.201 -7.884 1.00 42.03 O ATOM 696 CB LEU A 45 3.773 -3.963 -8.750 1.00 0.15 C ATOM 697 CG LEU A 45 3.860 -4.913 -9.945 1.00 4.15 C ATOM 698 CD1 LEU A 45 4.849 -6.034 -9.664 1.00 44.43 C ATOM 699 CD2 LEU A 45 2.488 -5.481 -10.276 1.00 11.31 C ATOM 700 H LEU A 45 4.123 -2.177 -10.691 1.00 11.23 H ATOM 701 HA LEU A 45 1.932 -2.878 -8.872 1.00 34.11 H ATOM 702 HB2 LEU A 45 4.779 -3.692 -8.468 1.00 61.52 H ATOM 703 HB3 LEU A 45 3.304 -4.496 -7.935 1.00 22.52 H ATOM 704 HG LEU A 45 4.214 -4.365 -10.807 1.00 53.31 H ATOM 705 HD11 LEU A 45 4.887 -6.224 -8.602 1.00 54.44 H ATOM 706 HD12 LEU A 45 5.830 -5.744 -10.013 1.00 34.10 H ATOM 707 HD13 LEU A 45 4.534 -6.929 -10.180 1.00 43.01 H ATOM 708 HD21 LEU A 45 2.561 -6.551 -10.397 1.00 70.11 H ATOM 709 HD22 LEU A 45 2.128 -5.038 -11.193 1.00 14.23 H ATOM 710 HD23 LEU A 45 1.801 -5.254 -9.473 1.00 24.41 H ATOM 711 N GLN A 46 2.428 -1.230 -7.106 1.00 11.13 N ATOM 712 CA GLN A 46 2.682 -0.240 -6.065 1.00 71.43 C ATOM 713 C GLN A 46 1.977 -0.622 -4.768 1.00 13.52 C ATOM 714 O GLN A 46 1.050 -1.433 -4.767 1.00 43.34 O ATOM 715 CB GLN A 46 2.218 1.143 -6.524 1.00 5.40 C ATOM 716 CG GLN A 46 2.714 1.523 -7.910 1.00 64.50 C ATOM 717 CD GLN A 46 4.225 1.619 -7.983 1.00 5.40 C ATOM 718 OE1 GLN A 46 4.920 1.434 -6.983 1.00 70.53 O ATOM 719 NE2 GLN A 46 4.744 1.911 -9.170 1.00 54.52 N ATOM 720 H GLN A 46 1.529 -1.609 -7.196 1.00 42.41 H ATOM 721 HA GLN A 46 3.746 -0.213 -5.887 1.00 41.41 H ATOM 722 HB2 GLN A 46 1.139 1.164 -6.533 1.00 30.20 H ATOM 723 HB3 GLN A 46 2.579 1.881 -5.822 1.00 53.34 H ATOM 724 HG2 GLN A 46 2.383 0.774 -8.614 1.00 60.14 H ATOM 725 HG3 GLN A 46 2.293 2.480 -8.179 1.00 62.13 H ATOM 726 HE21 GLN A 46 4.129 2.048 -9.922 1.00 60.41 H ATOM 727 HE22 GLN A 46 5.717 1.981 -9.246 1.00 3.11 H ATOM 728 N CYS A 47 2.421 -0.032 -3.663 1.00 44.42 N ATOM 729 CA CYS A 47 1.834 -0.309 -2.358 1.00 63.30 C ATOM 730 C CYS A 47 0.758 0.718 -2.016 1.00 24.50 C ATOM 731 O CYS A 47 1.058 1.886 -1.767 1.00 71.30 O ATOM 732 CB CYS A 47 2.918 -0.308 -1.278 1.00 35.34 C ATOM 733 SG CYS A 47 2.379 -1.006 0.316 1.00 35.44 S ATOM 734 H CYS A 47 3.164 0.607 -3.727 1.00 74.42 H ATOM 735 HA CYS A 47 1.380 -1.288 -2.399 1.00 44.45 H ATOM 736 HB2 CYS A 47 3.760 -0.891 -1.622 1.00 55.15 H ATOM 737 HB3 CYS A 47 3.238 0.708 -1.101 1.00 31.33 H ATOM 738 N ILE A 48 -0.494 0.273 -2.006 1.00 3.04 N ATOM 739 CA ILE A 48 -1.613 1.152 -1.693 1.00 13.41 C ATOM 740 C ILE A 48 -2.072 0.967 -0.251 1.00 20.35 C ATOM 741 O ILE A 48 -2.047 -0.143 0.282 1.00 32.15 O ATOM 742 CB ILE A 48 -2.806 0.902 -2.635 1.00 43.41 C ATOM 743 CG1 ILE A 48 -2.359 0.998 -4.095 1.00 63.03 C ATOM 744 CG2 ILE A 48 -3.922 1.896 -2.351 1.00 74.22 C ATOM 745 CD1 ILE A 48 -2.057 -0.344 -4.724 1.00 73.41 C ATOM 746 H ILE A 48 -0.669 -0.668 -2.212 1.00 65.54 H ATOM 747 HA ILE A 48 -1.283 2.172 -1.826 1.00 2.51 H ATOM 748 HB ILE A 48 -3.183 -0.091 -2.446 1.00 13.31 H ATOM 749 HG12 ILE A 48 -3.139 1.467 -4.674 1.00 45.01 H ATOM 750 HG13 ILE A 48 -1.463 1.600 -4.151 1.00 31.00 H ATOM 751 HG21 ILE A 48 -4.241 1.796 -1.324 1.00 24.30 H ATOM 752 HG22 ILE A 48 -3.562 2.900 -2.519 1.00 61.51 H ATOM 753 HG23 ILE A 48 -4.756 1.698 -3.007 1.00 74.34 H ATOM 754 HD11 ILE A 48 -2.101 -1.114 -3.967 1.00 22.21 H ATOM 755 HD12 ILE A 48 -2.787 -0.555 -5.492 1.00 13.22 H ATOM 756 HD13 ILE A 48 -1.070 -0.325 -5.160 1.00 51.22 H ATOM 757 N CYS A 49 -2.492 2.060 0.376 1.00 13.33 N ATOM 758 CA CYS A 49 -2.959 2.020 1.757 1.00 64.50 C ATOM 759 C CYS A 49 -4.420 2.449 1.850 1.00 31.54 C ATOM 760 O CYS A 49 -4.807 3.490 1.320 1.00 12.13 O ATOM 761 CB CYS A 49 -2.093 2.924 2.637 1.00 60.24 C ATOM 762 SG CYS A 49 -0.303 2.751 2.346 1.00 20.10 S ATOM 763 H CYS A 49 -2.489 2.917 -0.102 1.00 4.05 H ATOM 764 HA CYS A 49 -2.872 1.002 2.107 1.00 40.13 H ATOM 765 HB2 CYS A 49 -2.357 3.955 2.450 1.00 72.44 H ATOM 766 HB3 CYS A 49 -2.282 2.692 3.674 1.00 32.22 H ATOM 767 N ASP A 50 -5.226 1.639 2.528 1.00 72.31 N ATOM 768 CA ASP A 50 -6.645 1.934 2.693 1.00 43.35 C ATOM 769 C ASP A 50 -6.943 2.389 4.118 1.00 52.33 C ATOM 770 O ASP A 50 -6.899 1.594 5.056 1.00 24.23 O ATOM 771 CB ASP A 50 -7.487 0.704 2.350 1.00 41.53 C ATOM 772 CG ASP A 50 -8.696 1.049 1.503 1.00 72.25 C ATOM 773 OD1 ASP A 50 -9.635 1.677 2.036 1.00 72.35 O ATOM 774 OD2 ASP A 50 -8.703 0.691 0.306 1.00 12.13 O ATOM 775 H ASP A 50 -4.858 0.823 2.928 1.00 72.33 H ATOM 776 HA ASP A 50 -6.898 2.734 2.013 1.00 71.55 H ATOM 777 HB2 ASP A 50 -6.877 -0.001 1.803 1.00 12.44 H ATOM 778 HB3 ASP A 50 -7.830 0.245 3.265 1.00 63.42 H ATOM 779 N TYR A 51 -7.246 3.673 4.272 1.00 52.42 N ATOM 780 CA TYR A 51 -7.548 4.235 5.583 1.00 54.31 C ATOM 781 C TYR A 51 -9.052 4.415 5.765 1.00 54.51 C ATOM 782 O TYR A 51 -9.719 5.043 4.941 1.00 2.13 O ATOM 783 CB TYR A 51 -6.837 5.578 5.762 1.00 74.31 C ATOM 784 CG TYR A 51 -7.265 6.329 7.002 1.00 34.13 C ATOM 785 CD1 TYR A 51 -7.444 5.669 8.212 1.00 65.33 C ATOM 786 CD2 TYR A 51 -7.491 7.700 6.965 1.00 63.41 C ATOM 787 CE1 TYR A 51 -7.835 6.351 9.347 1.00 12.11 C ATOM 788 CE2 TYR A 51 -7.881 8.390 8.096 1.00 52.53 C ATOM 789 CZ TYR A 51 -8.053 7.712 9.284 1.00 24.22 C ATOM 790 OH TYR A 51 -8.441 8.395 10.413 1.00 15.43 O ATOM 791 H TYR A 51 -7.266 4.258 3.486 1.00 43.13 H ATOM 792 HA TYR A 51 -7.187 3.545 6.331 1.00 41.00 H ATOM 793 HB2 TYR A 51 -5.774 5.408 5.828 1.00 22.04 H ATOM 794 HB3 TYR A 51 -7.044 6.204 4.906 1.00 35.24 H ATOM 795 HD1 TYR A 51 -7.272 4.603 8.258 1.00 61.14 H ATOM 796 HD2 TYR A 51 -7.356 8.228 6.032 1.00 4.54 H ATOM 797 HE1 TYR A 51 -7.969 5.820 10.278 1.00 50.01 H ATOM 798 HE2 TYR A 51 -8.052 9.456 8.047 1.00 62.11 H ATOM 799 HH TYR A 51 -9.225 8.915 10.219 1.00 43.45 H ATOM 800 N CYS A 52 -9.581 3.861 6.850 1.00 30.44 N ATOM 801 CA CYS A 52 -11.006 3.959 7.143 1.00 22.54 C ATOM 802 C CYS A 52 -11.240 4.183 8.634 1.00 13.14 C ATOM 803 O CYS A 52 -10.477 3.702 9.472 1.00 54.34 O ATOM 804 CB CYS A 52 -11.730 2.690 6.687 1.00 0.33 C ATOM 805 SG CYS A 52 -13.528 2.896 6.475 1.00 45.10 S ATOM 806 H CYS A 52 -8.998 3.372 7.470 1.00 13.43 H ATOM 807 HA CYS A 52 -11.399 4.803 6.599 1.00 54.05 H ATOM 808 HB2 CYS A 52 -11.322 2.374 5.738 1.00 31.23 H ATOM 809 HB3 CYS A 52 -11.572 1.912 7.419 1.00 63.22 H