ATOM 23 N LYS A 4 -11.096 5.570 2.884 1.00 50.50 N ATOM 24 CA LYS A 4 -10.293 6.205 1.845 1.00 70.11 C ATOM 25 C LYS A 4 -9.104 5.328 1.464 1.00 14.32 C ATOM 26 O LYS A 4 -8.693 4.458 2.231 1.00 22.02 O ATOM 27 CB LYS A 4 -9.800 7.574 2.318 1.00 14.32 C ATOM 28 CG LYS A 4 -9.354 7.592 3.770 1.00 53.42 C ATOM 29 CD LYS A 4 -8.600 8.868 4.106 1.00 12.10 C ATOM 30 CE LYS A 4 -9.519 10.081 4.084 1.00 71.54 C ATOM 31 NZ LYS A 4 -8.762 11.345 3.869 1.00 75.12 N ATOM 32 H LYS A 4 -10.651 5.218 3.684 1.00 41.21 H ATOM 33 HA LYS A 4 -10.920 6.337 0.976 1.00 42.33 H ATOM 34 HB2 LYS A 4 -8.965 7.875 1.702 1.00 13.14 H ATOM 35 HB3 LYS A 4 -10.600 8.292 2.200 1.00 53.05 H ATOM 36 HG2 LYS A 4 -10.225 7.523 4.405 1.00 63.03 H ATOM 37 HG3 LYS A 4 -8.708 6.745 3.948 1.00 0.02 H ATOM 38 HD2 LYS A 4 -8.173 8.773 5.092 1.00 3.33 H ATOM 39 HD3 LYS A 4 -7.811 9.011 3.381 1.00 72.21 H ATOM 40 HE2 LYS A 4 -10.234 9.959 3.285 1.00 72.23 H ATOM 41 HE3 LYS A 4 -10.040 10.138 5.027 1.00 0.21 H ATOM 42 HZ1 LYS A 4 -8.754 11.910 4.741 1.00 32.23 H ATOM 43 HZ2 LYS A 4 -9.206 11.902 3.111 1.00 11.43 H ATOM 44 HZ3 LYS A 4 -7.781 11.132 3.596 1.00 11.53 H ATOM 45 N ARG A 5 -8.556 5.566 0.277 1.00 41.13 N ATOM 46 CA ARG A 5 -7.414 4.798 -0.204 1.00 72.31 C ATOM 47 C ARG A 5 -6.500 5.664 -1.066 1.00 52.33 C ATOM 48 O ARG A 5 -6.962 6.561 -1.773 1.00 2.10 O ATOM 49 CB ARG A 5 -7.889 3.585 -1.006 1.00 74.24 C ATOM 50 CG ARG A 5 -8.888 3.931 -2.099 1.00 31.40 C ATOM 51 CD ARG A 5 -8.191 4.453 -3.346 1.00 12.34 C ATOM 52 NE ARG A 5 -8.728 3.853 -4.564 1.00 3.40 N ATOM 53 CZ ARG A 5 -8.465 4.308 -5.785 1.00 31.05 C ATOM 54 NH1 ARG A 5 -7.677 5.362 -5.947 1.00 70.42 N ATOM 55 NH2 ARG A 5 -8.991 3.708 -6.845 1.00 22.03 N ATOM 56 H ARG A 5 -8.929 6.273 -0.289 1.00 55.22 H ATOM 57 HA ARG A 5 -6.858 4.454 0.656 1.00 55.20 H ATOM 58 HB2 ARG A 5 -7.033 3.115 -1.468 1.00 12.31 H ATOM 59 HB3 ARG A 5 -8.355 2.883 -0.331 1.00 51.33 H ATOM 60 HG2 ARG A 5 -9.446 3.043 -2.357 1.00 61.34 H ATOM 61 HG3 ARG A 5 -9.563 4.688 -1.730 1.00 3.53 H ATOM 62 HD2 ARG A 5 -8.324 5.523 -3.394 1.00 12.44 H ATOM 63 HD3 ARG A 5 -7.139 4.225 -3.276 1.00 24.44 H ATOM 64 HE ARG A 5 -9.313 3.074 -4.467 1.00 22.21 H ATOM 65 HH11 ARG A 5 -7.279 5.815 -5.150 1.00 3.55 H ATOM 66 HH12 ARG A 5 -7.480 5.701 -6.867 1.00 43.45 H ATOM 67 HH21 ARG A 5 -9.584 2.914 -6.726 1.00 34.40 H ATOM 68 HH22 ARG A 5 -8.792 4.051 -7.763 1.00 15.13 H ATOM 69 N LYS A 6 -5.202 5.392 -1.002 1.00 31.21 N ATOM 70 CA LYS A 6 -4.222 6.145 -1.776 1.00 72.33 C ATOM 71 C LYS A 6 -2.986 5.298 -2.061 1.00 24.54 C ATOM 72 O LYS A 6 -2.504 4.573 -1.190 1.00 41.21 O ATOM 73 CB LYS A 6 -3.820 7.418 -1.027 1.00 60.14 C ATOM 74 CG LYS A 6 -2.661 8.160 -1.671 1.00 14.14 C ATOM 75 CD LYS A 6 -2.643 9.624 -1.263 1.00 22.02 C ATOM 76 CE LYS A 6 -1.240 10.206 -1.341 1.00 51.35 C ATOM 77 NZ LYS A 6 -1.263 11.686 -1.511 1.00 25.30 N ATOM 78 H LYS A 6 -4.894 4.665 -0.420 1.00 32.21 H ATOM 79 HA LYS A 6 -4.680 6.418 -2.714 1.00 2.40 H ATOM 80 HB2 LYS A 6 -4.670 8.083 -0.990 1.00 21.54 H ATOM 81 HB3 LYS A 6 -3.535 7.153 -0.019 1.00 55.35 H ATOM 82 HG2 LYS A 6 -1.734 7.701 -1.361 1.00 70.45 H ATOM 83 HG3 LYS A 6 -2.757 8.097 -2.745 1.00 63.42 H ATOM 84 HD2 LYS A 6 -3.288 10.181 -1.924 1.00 55.42 H ATOM 85 HD3 LYS A 6 -3.003 9.710 -0.247 1.00 52.24 H ATOM 86 HE2 LYS A 6 -0.712 9.965 -0.431 1.00 14.55 H ATOM 87 HE3 LYS A 6 -0.727 9.764 -2.182 1.00 64.34 H ATOM 88 HZ1 LYS A 6 -2.113 11.973 -2.035 1.00 20.01 H ATOM 89 HZ2 LYS A 6 -0.421 11.998 -2.038 1.00 71.30 H ATOM 90 HZ3 LYS A 6 -1.267 12.153 -0.581 1.00 61.54 H ATOM 91 N VAL A 7 -2.476 5.395 -3.285 1.00 20.35 N ATOM 92 CA VAL A 7 -1.295 4.640 -3.683 1.00 21.13 C ATOM 93 C VAL A 7 -0.031 5.483 -3.545 1.00 35.54 C ATOM 94 O VAL A 7 -0.029 6.673 -3.859 1.00 74.04 O ATOM 95 CB VAL A 7 -1.410 4.141 -5.136 1.00 15.32 C ATOM 96 CG1 VAL A 7 -1.699 5.302 -6.076 1.00 70.24 C ATOM 97 CG2 VAL A 7 -0.142 3.411 -5.551 1.00 41.51 C ATOM 98 H VAL A 7 -2.905 5.990 -3.935 1.00 63.33 H ATOM 99 HA VAL A 7 -1.215 3.778 -3.035 1.00 45.51 H ATOM 100 HB VAL A 7 -2.235 3.447 -5.192 1.00 75.15 H ATOM 101 HG11 VAL A 7 -1.655 4.955 -7.099 1.00 33.23 H ATOM 102 HG12 VAL A 7 -2.683 5.696 -5.871 1.00 4.33 H ATOM 103 HG13 VAL A 7 -0.962 6.077 -5.928 1.00 44.23 H ATOM 104 HG21 VAL A 7 -0.244 3.061 -6.568 1.00 5.15 H ATOM 105 HG22 VAL A 7 0.699 4.085 -5.484 1.00 54.32 H ATOM 106 HG23 VAL A 7 0.020 2.568 -4.895 1.00 13.22 H ATOM 107 N TYR A 8 1.041 4.857 -3.073 1.00 72.15 N ATOM 108 CA TYR A 8 2.311 5.550 -2.892 1.00 24.22 C ATOM 109 C TYR A 8 3.427 4.855 -3.667 1.00 54.33 C ATOM 110 O TYR A 8 4.156 4.029 -3.120 1.00 51.23 O ATOM 111 CB TYR A 8 2.673 5.616 -1.407 1.00 35.51 C ATOM 112 CG TYR A 8 3.155 6.977 -0.960 1.00 63.14 C ATOM 113 CD1 TYR A 8 4.172 7.633 -1.643 1.00 51.42 C ATOM 114 CD2 TYR A 8 2.595 7.607 0.144 1.00 40.24 C ATOM 115 CE1 TYR A 8 4.617 8.877 -1.238 1.00 63.13 C ATOM 116 CE2 TYR A 8 3.032 8.851 0.554 1.00 41.50 C ATOM 117 CZ TYR A 8 4.045 9.482 -0.140 1.00 33.12 C ATOM 118 OH TYR A 8 4.484 10.721 0.266 1.00 55.30 O ATOM 119 H TYR A 8 0.977 3.907 -2.840 1.00 4.20 H ATOM 120 HA TYR A 8 2.198 6.555 -3.269 1.00 12.15 H ATOM 121 HB2 TYR A 8 1.803 5.364 -0.820 1.00 34.03 H ATOM 122 HB3 TYR A 8 3.457 4.901 -1.201 1.00 73.45 H ATOM 123 HD1 TYR A 8 4.619 7.156 -2.504 1.00 55.13 H ATOM 124 HD2 TYR A 8 1.803 7.111 0.685 1.00 52.32 H ATOM 125 HE1 TYR A 8 5.409 9.371 -1.782 1.00 70.43 H ATOM 126 HE2 TYR A 8 2.585 9.325 1.415 1.00 53.20 H ATOM 127 HH TYR A 8 3.799 11.373 0.101 1.00 0.54 H ATOM 128 N GLU A 9 3.551 5.197 -4.946 1.00 11.44 N ATOM 129 CA GLU A 9 4.577 4.607 -5.797 1.00 40.21 C ATOM 130 C GLU A 9 5.972 4.898 -5.251 1.00 33.14 C ATOM 131 O GLU A 9 6.934 4.205 -5.577 1.00 32.01 O ATOM 132 CB GLU A 9 4.456 5.143 -7.225 1.00 52.45 C ATOM 133 CG GLU A 9 4.521 6.659 -7.315 1.00 75.32 C ATOM 134 CD GLU A 9 4.572 7.157 -8.746 1.00 2.34 C ATOM 135 OE1 GLU A 9 5.610 6.947 -9.409 1.00 0.40 O ATOM 136 OE2 GLU A 9 3.577 7.757 -9.203 1.00 2.24 O ATOM 137 H GLU A 9 2.939 5.862 -5.324 1.00 40.43 H ATOM 138 HA GLU A 9 4.423 3.539 -5.810 1.00 23.02 H ATOM 139 HB2 GLU A 9 5.258 4.733 -7.821 1.00 21.44 H ATOM 140 HB3 GLU A 9 3.512 4.820 -7.640 1.00 33.55 H ATOM 141 HG2 GLU A 9 3.644 7.072 -6.837 1.00 45.03 H ATOM 142 HG3 GLU A 9 5.406 7.000 -6.798 1.00 32.34 H ATOM 143 N ASN A 10 6.071 5.927 -4.416 1.00 60.12 N ATOM 144 CA ASN A 10 7.348 6.311 -3.824 1.00 55.04 C ATOM 145 C ASN A 10 7.954 5.151 -3.040 1.00 53.02 C ATOM 146 O ASN A 10 9.165 5.101 -2.823 1.00 73.21 O ATOM 147 CB ASN A 10 7.164 7.521 -2.906 1.00 63.11 C ATOM 148 CG ASN A 10 8.398 8.401 -2.856 1.00 63.35 C ATOM 149 OD1 ASN A 10 9.117 8.426 -1.857 1.00 24.44 O ATOM 150 ND2 ASN A 10 8.649 9.130 -3.938 1.00 71.11 N ATOM 151 H ASN A 10 5.268 6.442 -4.193 1.00 11.01 H ATOM 152 HA ASN A 10 8.019 6.578 -4.626 1.00 74.15 H ATOM 153 HB2 ASN A 10 6.336 8.115 -3.264 1.00 44.44 H ATOM 154 HB3 ASN A 10 6.949 7.177 -1.905 1.00 62.21 H ATOM 155 HD21 ASN A 10 8.033 9.059 -4.696 1.00 54.22 H ATOM 156 HD22 ASN A 10 9.441 9.707 -3.933 1.00 41.24 H ATOM 157 N TYR A 11 7.104 4.221 -2.620 1.00 22.33 N ATOM 158 CA TYR A 11 7.556 3.062 -1.858 1.00 21.10 C ATOM 159 C TYR A 11 8.279 2.065 -2.760 1.00 3.23 C ATOM 160 O TYR A 11 8.059 2.011 -3.970 1.00 4.21 O ATOM 161 CB TYR A 11 6.369 2.379 -1.176 1.00 11.22 C ATOM 162 CG TYR A 11 6.034 2.961 0.179 1.00 51.41 C ATOM 163 CD1 TYR A 11 7.016 3.128 1.148 1.00 51.44 C ATOM 164 CD2 TYR A 11 4.735 3.345 0.490 1.00 63.23 C ATOM 165 CE1 TYR A 11 6.714 3.658 2.387 1.00 53.22 C ATOM 166 CE2 TYR A 11 4.424 3.877 1.727 1.00 42.01 C ATOM 167 CZ TYR A 11 5.417 4.031 2.671 1.00 13.12 C ATOM 168 OH TYR A 11 5.113 4.562 3.905 1.00 71.40 O ATOM 169 H TYR A 11 6.151 4.316 -2.824 1.00 11.12 H ATOM 170 HA TYR A 11 8.243 3.409 -1.102 1.00 23.35 H ATOM 171 HB2 TYR A 11 5.497 2.477 -1.802 1.00 52.45 H ATOM 172 HB3 TYR A 11 6.593 1.331 -1.041 1.00 43.44 H ATOM 173 HD1 TYR A 11 8.031 2.835 0.922 1.00 40.12 H ATOM 174 HD2 TYR A 11 3.960 3.223 -0.253 1.00 13.45 H ATOM 175 HE1 TYR A 11 7.491 3.780 3.128 1.00 60.13 H ATOM 176 HE2 TYR A 11 3.409 4.169 1.950 1.00 54.43 H ATOM 177 HH TYR A 11 5.898 4.965 4.283 1.00 52.03 H ATOM 178 N PRO A 12 9.164 1.258 -2.157 1.00 71.13 N ATOM 179 CA PRO A 12 9.938 0.247 -2.886 1.00 15.53 C ATOM 180 C PRO A 12 9.069 -0.906 -3.375 1.00 34.50 C ATOM 181 O PRO A 12 8.413 -1.583 -2.582 1.00 31.44 O ATOM 182 CB PRO A 12 10.945 -0.247 -1.844 1.00 13.44 C ATOM 183 CG PRO A 12 10.293 0.018 -0.531 1.00 3.15 C ATOM 184 CD PRO A 12 9.477 1.267 -0.719 1.00 32.33 C ATOM 185 HA PRO A 12 10.465 0.680 -3.723 1.00 34.45 H ATOM 186 HB2 PRO A 12 11.128 -1.302 -1.989 1.00 24.12 H ATOM 187 HB3 PRO A 12 11.869 0.303 -1.944 1.00 64.30 H ATOM 188 HG2 PRO A 12 9.655 -0.810 -0.264 1.00 22.12 H ATOM 189 HG3 PRO A 12 11.046 0.174 0.228 1.00 51.44 H ATOM 190 HD2 PRO A 12 8.574 1.220 -0.127 1.00 21.01 H ATOM 191 HD3 PRO A 12 10.056 2.140 -0.456 1.00 71.30 H ATOM 192 N VAL A 13 9.068 -1.126 -4.686 1.00 2.04 N ATOM 193 CA VAL A 13 8.281 -2.200 -5.281 1.00 13.15 C ATOM 194 C VAL A 13 8.828 -3.567 -4.885 1.00 1.54 C ATOM 195 O VAL A 13 8.153 -4.584 -5.036 1.00 71.11 O ATOM 196 CB VAL A 13 8.257 -2.093 -6.817 1.00 62.53 C ATOM 197 CG1 VAL A 13 7.303 -3.120 -7.408 1.00 41.34 C ATOM 198 CG2 VAL A 13 7.874 -0.685 -7.247 1.00 62.54 C ATOM 199 H VAL A 13 9.611 -0.554 -5.267 1.00 1.43 H ATOM 200 HA VAL A 13 7.267 -2.110 -4.919 1.00 71.33 H ATOM 201 HB VAL A 13 9.251 -2.302 -7.187 1.00 71.23 H ATOM 202 HG11 VAL A 13 7.770 -4.093 -7.397 1.00 23.25 H ATOM 203 HG12 VAL A 13 6.395 -3.146 -6.825 1.00 30.15 H ATOM 204 HG13 VAL A 13 7.068 -2.847 -8.428 1.00 21.22 H ATOM 205 HG21 VAL A 13 8.765 -0.085 -7.352 1.00 63.50 H ATOM 206 HG22 VAL A 13 7.355 -0.729 -8.193 1.00 51.32 H ATOM 207 HG23 VAL A 13 7.228 -0.245 -6.502 1.00 42.41 H ATOM 208 N SER A 14 10.056 -3.582 -4.377 1.00 33.21 N ATOM 209 CA SER A 14 10.696 -4.824 -3.962 1.00 62.41 C ATOM 210 C SER A 14 10.025 -5.391 -2.714 1.00 61.01 C ATOM 211 O SER A 14 10.009 -6.603 -2.499 1.00 54.20 O ATOM 212 CB SER A 14 12.184 -4.592 -3.694 1.00 31.31 C ATOM 213 OG SER A 14 12.734 -3.680 -4.629 1.00 2.11 O ATOM 214 H SER A 14 10.544 -2.737 -4.281 1.00 13.42 H ATOM 215 HA SER A 14 10.591 -5.536 -4.767 1.00 62.13 H ATOM 216 HB2 SER A 14 12.310 -4.189 -2.700 1.00 34.25 H ATOM 217 HB3 SER A 14 12.712 -5.531 -3.772 1.00 24.13 H ATOM 218 HG SER A 14 13.642 -3.926 -4.820 1.00 1.42 H ATOM 219 N LYS A 15 9.473 -4.504 -1.893 1.00 23.23 N ATOM 220 CA LYS A 15 8.799 -4.912 -0.666 1.00 30.23 C ATOM 221 C LYS A 15 7.355 -5.317 -0.947 1.00 42.20 C ATOM 222 O LYS A 15 6.686 -5.899 -0.093 1.00 41.03 O ATOM 223 CB LYS A 15 8.832 -3.778 0.361 1.00 53.35 C ATOM 224 CG LYS A 15 10.074 -3.785 1.234 1.00 13.33 C ATOM 225 CD LYS A 15 11.343 -3.699 0.403 1.00 52.42 C ATOM 226 CE LYS A 15 12.581 -3.611 1.281 1.00 11.44 C ATOM 227 NZ LYS A 15 13.807 -3.332 0.484 1.00 22.25 N ATOM 228 H LYS A 15 9.519 -3.551 -2.118 1.00 52.32 H ATOM 229 HA LYS A 15 9.327 -5.765 -0.266 1.00 4.24 H ATOM 230 HB2 LYS A 15 8.791 -2.834 -0.163 1.00 53.31 H ATOM 231 HB3 LYS A 15 7.966 -3.863 1.001 1.00 75.34 H ATOM 232 HG2 LYS A 15 10.037 -2.937 1.903 1.00 30.31 H ATOM 233 HG3 LYS A 15 10.093 -4.699 1.810 1.00 33.02 H ATOM 234 HD2 LYS A 15 11.417 -4.580 -0.217 1.00 21.21 H ATOM 235 HD3 LYS A 15 11.292 -2.820 -0.224 1.00 4.54 H ATOM 236 HE2 LYS A 15 12.441 -2.817 2.000 1.00 71.12 H ATOM 237 HE3 LYS A 15 12.704 -4.549 1.801 1.00 2.11 H ATOM 238 HZ1 LYS A 15 13.732 -3.773 -0.454 1.00 72.10 H ATOM 239 HZ2 LYS A 15 14.644 -3.716 0.971 1.00 55.24 H ATOM 240 HZ3 LYS A 15 13.931 -2.306 0.365 1.00 33.42 H ATOM 241 N CYS A 16 6.881 -5.005 -2.149 1.00 45.23 N ATOM 242 CA CYS A 16 5.518 -5.336 -2.543 1.00 44.21 C ATOM 243 C CYS A 16 5.224 -6.813 -2.296 1.00 54.14 C ATOM 244 O CYS A 16 4.125 -7.175 -1.877 1.00 1.23 O ATOM 245 CB CYS A 16 5.295 -5.000 -4.020 1.00 24.14 C ATOM 246 SG CYS A 16 3.709 -5.595 -4.686 1.00 34.32 S ATOM 247 H CYS A 16 7.464 -4.540 -2.787 1.00 72.33 H ATOM 248 HA CYS A 16 4.846 -4.743 -1.943 1.00 14.33 H ATOM 249 HB2 CYS A 16 5.323 -3.927 -4.144 1.00 75.33 H ATOM 250 HB3 CYS A 16 6.086 -5.446 -4.605 1.00 4.10 H ATOM 251 N GLN A 17 6.213 -7.660 -2.560 1.00 1.01 N ATOM 252 CA GLN A 17 6.060 -9.097 -2.367 1.00 43.30 C ATOM 253 C GLN A 17 5.647 -9.413 -0.933 1.00 41.55 C ATOM 254 O GLN A 17 4.911 -10.368 -0.683 1.00 50.35 O ATOM 255 CB GLN A 17 7.365 -9.821 -2.705 1.00 40.02 C ATOM 256 CG GLN A 17 8.575 -9.272 -1.966 1.00 12.23 C ATOM 257 CD GLN A 17 9.850 -9.369 -2.780 1.00 15.21 C ATOM 258 OE1 GLN A 17 10.865 -9.881 -2.307 1.00 35.43 O ATOM 259 NE2 GLN A 17 9.805 -8.876 -4.012 1.00 32.02 N ATOM 260 H GLN A 17 7.066 -7.311 -2.892 1.00 53.04 H ATOM 261 HA GLN A 17 5.285 -9.440 -3.035 1.00 21.11 H ATOM 262 HB2 GLN A 17 7.259 -10.865 -2.453 1.00 63.24 H ATOM 263 HB3 GLN A 17 7.548 -9.731 -3.766 1.00 11.13 H ATOM 264 HG2 GLN A 17 8.395 -8.233 -1.729 1.00 43.45 H ATOM 265 HG3 GLN A 17 8.704 -9.830 -1.051 1.00 64.13 H ATOM 266 HE21 GLN A 17 8.962 -8.482 -4.322 1.00 42.30 H ATOM 267 HE22 GLN A 17 10.615 -8.925 -4.560 1.00 35.41 H ATOM 268 N LEU A 18 6.126 -8.605 0.007 1.00 53.11 N ATOM 269 CA LEU A 18 5.807 -8.798 1.417 1.00 60.15 C ATOM 270 C LEU A 18 4.379 -8.355 1.718 1.00 55.14 C ATOM 271 O LEU A 18 3.959 -7.269 1.319 1.00 13.51 O ATOM 272 CB LEU A 18 6.790 -8.020 2.294 1.00 41.23 C ATOM 273 CG LEU A 18 8.078 -8.753 2.672 1.00 72.55 C ATOM 274 CD1 LEU A 18 7.829 -9.709 3.827 1.00 35.35 C ATOM 275 CD2 LEU A 18 8.637 -9.502 1.470 1.00 42.11 C ATOM 276 H LEU A 18 6.708 -7.861 -0.253 1.00 44.12 H ATOM 277 HA LEU A 18 5.897 -9.851 1.636 1.00 21.01 H ATOM 278 HB2 LEU A 18 7.065 -7.121 1.764 1.00 1.32 H ATOM 279 HB3 LEU A 18 6.278 -7.756 3.208 1.00 11.12 H ATOM 280 HG LEU A 18 8.816 -8.030 2.989 1.00 31.25 H ATOM 281 HD11 LEU A 18 8.773 -10.056 4.218 1.00 63.20 H ATOM 282 HD12 LEU A 18 7.251 -10.552 3.479 1.00 21.44 H ATOM 283 HD13 LEU A 18 7.282 -9.196 4.607 1.00 23.12 H ATOM 284 HD21 LEU A 18 9.575 -9.964 1.739 1.00 22.42 H ATOM 285 HD22 LEU A 18 8.798 -8.808 0.657 1.00 1.43 H ATOM 286 HD23 LEU A 18 7.935 -10.262 1.161 1.00 51.10 H ATOM 287 N ALA A 19 3.639 -9.201 2.426 1.00 53.32 N ATOM 288 CA ALA A 19 2.259 -8.895 2.784 1.00 44.52 C ATOM 289 C ALA A 19 2.184 -8.215 4.147 1.00 31.22 C ATOM 290 O ALA A 19 1.262 -7.447 4.418 1.00 54.31 O ATOM 291 CB ALA A 19 1.417 -10.163 2.776 1.00 5.23 C ATOM 292 H ALA A 19 4.030 -10.051 2.715 1.00 74.24 H ATOM 293 HA ALA A 19 1.861 -8.224 2.036 1.00 63.24 H ATOM 294 HB1 ALA A 19 0.671 -10.103 3.555 1.00 25.35 H ATOM 295 HB2 ALA A 19 0.931 -10.265 1.817 1.00 31.34 H ATOM 296 HB3 ALA A 19 2.054 -11.017 2.951 1.00 23.45 H ATOM 297 N ASN A 20 3.160 -8.503 5.002 1.00 72.23 N ATOM 298 CA ASN A 20 3.203 -7.921 6.338 1.00 52.30 C ATOM 299 C ASN A 20 3.990 -6.614 6.336 1.00 65.20 C ATOM 300 O ASN A 20 3.912 -5.830 7.281 1.00 42.21 O ATOM 301 CB ASN A 20 3.830 -8.906 7.326 1.00 12.33 C ATOM 302 CG ASN A 20 5.292 -9.172 7.029 1.00 64.45 C ATOM 303 OD1 ASN A 20 5.623 -9.914 6.104 1.00 64.32 O ATOM 304 ND2 ASN A 20 6.176 -8.567 7.814 1.00 61.14 N ATOM 305 H ASN A 20 3.868 -9.123 4.728 1.00 61.04 H ATOM 306 HA ASN A 20 2.187 -7.715 6.643 1.00 45.44 H ATOM 307 HB2 ASN A 20 3.754 -8.500 8.325 1.00 24.32 H ATOM 308 HB3 ASN A 20 3.295 -9.842 7.281 1.00 74.51 H ATOM 309 HD21 ASN A 20 5.839 -7.990 8.531 1.00 62.41 H ATOM 310 HD22 ASN A 20 7.128 -8.722 7.642 1.00 42.21 H ATOM 311 N GLN A 21 4.749 -6.388 5.268 1.00 32.34 N ATOM 312 CA GLN A 21 5.551 -5.177 5.143 1.00 1.23 C ATOM 313 C GLN A 21 4.705 -4.013 4.637 1.00 64.04 C ATOM 314 O GLN A 21 4.821 -2.888 5.125 1.00 65.50 O ATOM 315 CB GLN A 21 6.731 -5.415 4.198 1.00 15.34 C ATOM 316 CG GLN A 21 7.679 -4.232 4.100 1.00 5.35 C ATOM 317 CD GLN A 21 8.795 -4.292 5.127 1.00 60.04 C ATOM 318 OE1 GLN A 21 9.559 -5.256 5.173 1.00 5.33 O ATOM 319 NE2 GLN A 21 8.893 -3.259 5.954 1.00 4.11 N ATOM 320 H GLN A 21 4.770 -7.051 4.548 1.00 54.22 H ATOM 321 HA GLN A 21 5.931 -4.929 6.124 1.00 60.44 H ATOM 322 HB2 GLN A 21 7.289 -6.270 4.548 1.00 64.10 H ATOM 323 HB3 GLN A 21 6.347 -5.624 3.210 1.00 3.14 H ATOM 324 HG2 GLN A 21 8.119 -4.221 3.114 1.00 5.51 H ATOM 325 HG3 GLN A 21 7.118 -3.322 4.254 1.00 54.02 H ATOM 326 HE21 GLN A 21 8.248 -2.526 5.859 1.00 64.11 H ATOM 327 HE22 GLN A 21 9.604 -3.271 6.627 1.00 32.14 H ATOM 328 N CYS A 22 3.854 -4.291 3.655 1.00 3.23 N ATOM 329 CA CYS A 22 2.988 -3.268 3.081 1.00 4.20 C ATOM 330 C CYS A 22 2.069 -2.674 4.144 1.00 54.21 C ATOM 331 O CYS A 22 2.143 -1.485 4.449 1.00 33.25 O ATOM 332 CB CYS A 22 2.155 -3.857 1.940 1.00 14.23 C ATOM 333 SG CYS A 22 2.464 -3.086 0.319 1.00 14.22 S ATOM 334 H CYS A 22 3.807 -5.206 3.307 1.00 34.54 H ATOM 335 HA CYS A 22 3.617 -2.484 2.688 1.00 42.51 H ATOM 336 HB2 CYS A 22 2.377 -4.909 1.850 1.00 35.54 H ATOM 337 HB3 CYS A 22 1.107 -3.733 2.170 1.00 2.23 H ATOM 338 N ASN A 23 1.202 -3.512 4.704 1.00 22.12 N ATOM 339 CA ASN A 23 0.267 -3.071 5.733 1.00 61.42 C ATOM 340 C ASN A 23 1.008 -2.430 6.902 1.00 43.20 C ATOM 341 O ASN A 23 0.474 -1.557 7.586 1.00 75.14 O ATOM 342 CB ASN A 23 -0.570 -4.251 6.231 1.00 45.14 C ATOM 343 CG ASN A 23 -0.008 -4.864 7.499 1.00 44.25 C ATOM 344 OD1 ASN A 23 -0.159 -4.312 8.589 1.00 40.31 O ATOM 345 ND2 ASN A 23 0.645 -6.012 7.362 1.00 54.22 N ATOM 346 H ASN A 23 1.191 -4.450 4.419 1.00 72.14 H ATOM 347 HA ASN A 23 -0.389 -2.337 5.291 1.00 4.53 H ATOM 348 HB2 ASN A 23 -1.575 -3.911 6.433 1.00 22.11 H ATOM 349 HB3 ASN A 23 -0.599 -5.013 5.466 1.00 44.11 H ATOM 350 HD21 ASN A 23 0.727 -6.395 6.463 1.00 40.24 H ATOM 351 HD22 ASN A 23 1.018 -6.431 8.165 1.00 11.54 H ATOM 352 N TYR A 24 2.243 -2.868 7.125 1.00 54.24 N ATOM 353 CA TYR A 24 3.057 -2.338 8.212 1.00 53.01 C ATOM 354 C TYR A 24 3.467 -0.895 7.933 1.00 10.15 C ATOM 355 O TYR A 24 3.438 -0.046 8.824 1.00 4.21 O ATOM 356 CB TYR A 24 4.303 -3.204 8.413 1.00 14.41 C ATOM 357 CG TYR A 24 5.329 -2.583 9.334 1.00 44.43 C ATOM 358 CD1 TYR A 24 5.140 -2.570 10.709 1.00 14.31 C ATOM 359 CD2 TYR A 24 6.489 -2.010 8.826 1.00 25.32 C ATOM 360 CE1 TYR A 24 6.074 -2.003 11.554 1.00 72.44 C ATOM 361 CE2 TYR A 24 7.431 -1.443 9.663 1.00 31.03 C ATOM 362 CZ TYR A 24 7.218 -1.442 11.027 1.00 42.45 C ATOM 363 OH TYR A 24 8.153 -0.877 11.865 1.00 51.35 O ATOM 364 H TYR A 24 2.615 -3.564 6.545 1.00 61.42 H ATOM 365 HA TYR A 24 2.463 -2.364 9.114 1.00 23.03 H ATOM 366 HB2 TYR A 24 4.009 -4.151 8.836 1.00 61.23 H ATOM 367 HB3 TYR A 24 4.774 -3.371 7.456 1.00 73.35 H ATOM 368 HD1 TYR A 24 4.242 -3.011 11.119 1.00 2.30 H ATOM 369 HD2 TYR A 24 6.652 -2.014 7.758 1.00 4.31 H ATOM 370 HE1 TYR A 24 5.909 -2.002 12.621 1.00 54.31 H ATOM 371 HE2 TYR A 24 8.326 -1.003 9.251 1.00 61.13 H ATOM 372 HH TYR A 24 7.986 0.065 11.940 1.00 1.44 H ATOM 373 N ASP A 25 3.846 -0.625 6.689 1.00 11.03 N ATOM 374 CA ASP A 25 4.260 0.716 6.290 1.00 22.42 C ATOM 375 C ASP A 25 3.048 1.619 6.083 1.00 42.22 C ATOM 376 O ASP A 25 3.131 2.836 6.256 1.00 71.23 O ATOM 377 CB ASP A 25 5.092 0.655 5.008 1.00 72.00 C ATOM 378 CG ASP A 25 6.272 -0.290 5.128 1.00 31.20 C ATOM 379 OD1 ASP A 25 6.974 -0.235 6.159 1.00 63.22 O ATOM 380 OD2 ASP A 25 6.492 -1.086 4.190 1.00 0.22 O ATOM 381 H ASP A 25 3.847 -1.344 6.022 1.00 20.14 H ATOM 382 HA ASP A 25 4.867 1.125 7.083 1.00 52.34 H ATOM 383 HB2 ASP A 25 4.466 0.317 4.196 1.00 51.33 H ATOM 384 HB3 ASP A 25 5.467 1.642 4.783 1.00 53.51 H ATOM 385 N CYS A 26 1.925 1.016 5.709 1.00 41.24 N ATOM 386 CA CYS A 26 0.696 1.765 5.475 1.00 15.45 C ATOM 387 C CYS A 26 0.012 2.114 6.794 1.00 22.24 C ATOM 388 O CYS A 26 -0.325 3.271 7.045 1.00 34.25 O ATOM 389 CB CYS A 26 -0.258 0.959 4.591 1.00 5.23 C ATOM 390 SG CYS A 26 0.209 0.927 2.831 1.00 72.15 S ATOM 391 H CYS A 26 1.921 0.043 5.586 1.00 45.31 H ATOM 392 HA CYS A 26 0.957 2.682 4.967 1.00 72.25 H ATOM 393 HB2 CYS A 26 -0.284 -0.062 4.942 1.00 32.03 H ATOM 394 HB3 CYS A 26 -1.248 1.384 4.663 1.00 40.24 H ATOM 395 N LYS A 27 -0.188 1.105 7.635 1.00 4.15 N ATOM 396 CA LYS A 27 -0.829 1.302 8.930 1.00 12.33 C ATOM 397 C LYS A 27 0.070 2.107 9.865 1.00 34.41 C ATOM 398 O LYS A 27 -0.370 2.570 10.917 1.00 11.23 O ATOM 399 CB LYS A 27 -1.167 -0.048 9.566 1.00 50.52 C ATOM 400 CG LYS A 27 -2.095 -0.902 8.721 1.00 74.12 C ATOM 401 CD LYS A 27 -2.164 -2.330 9.237 1.00 1.25 C ATOM 402 CE LYS A 27 -3.254 -2.491 10.286 1.00 1.02 C ATOM 403 NZ LYS A 27 -3.556 -3.924 10.555 1.00 33.10 N ATOM 404 H LYS A 27 0.104 0.205 7.378 1.00 25.15 H ATOM 405 HA LYS A 27 -1.743 1.853 8.766 1.00 31.24 H ATOM 406 HB2 LYS A 27 -0.251 -0.597 9.724 1.00 42.10 H ATOM 407 HB3 LYS A 27 -1.641 0.127 10.521 1.00 15.21 H ATOM 408 HG2 LYS A 27 -3.087 -0.474 8.746 1.00 20.25 H ATOM 409 HG3 LYS A 27 -1.733 -0.914 7.703 1.00 24.05 H ATOM 410 HD2 LYS A 27 -2.373 -2.993 8.412 1.00 73.31 H ATOM 411 HD3 LYS A 27 -1.212 -2.590 9.679 1.00 44.43 H ATOM 412 HE2 LYS A 27 -2.927 -2.023 11.202 1.00 70.01 H ATOM 413 HE3 LYS A 27 -4.151 -2.003 9.932 1.00 62.10 H ATOM 414 HZ1 LYS A 27 -3.716 -4.430 9.661 1.00 65.12 H ATOM 415 HZ2 LYS A 27 -4.411 -4.004 11.144 1.00 61.33 H ATOM 416 HZ3 LYS A 27 -2.761 -4.369 11.056 1.00 32.13 H ATOM 417 N LEU A 28 1.328 2.269 9.473 1.00 21.21 N ATOM 418 CA LEU A 28 2.288 3.018 10.277 1.00 65.14 C ATOM 419 C LEU A 28 2.095 4.520 10.094 1.00 0.34 C ATOM 420 O LEU A 28 1.774 5.234 11.045 1.00 40.25 O ATOM 421 CB LEU A 28 3.718 2.626 9.895 1.00 54.41 C ATOM 422 CG LEU A 28 4.822 3.564 10.383 1.00 44.44 C ATOM 423 CD1 LEU A 28 4.845 3.619 11.902 1.00 62.53 C ATOM 424 CD2 LEU A 28 6.175 3.122 9.843 1.00 60.42 C ATOM 425 H LEU A 28 1.620 1.876 8.625 1.00 60.41 H ATOM 426 HA LEU A 28 2.120 2.769 11.313 1.00 22.51 H ATOM 427 HB2 LEU A 28 3.911 1.646 10.303 1.00 4.55 H ATOM 428 HB3 LEU A 28 3.771 2.583 8.817 1.00 21.42 H ATOM 429 HG LEU A 28 4.626 4.563 10.016 1.00 41.11 H ATOM 430 HD11 LEU A 28 4.225 2.830 12.299 1.00 32.23 H ATOM 431 HD12 LEU A 28 4.468 4.575 12.233 1.00 21.53 H ATOM 432 HD13 LEU A 28 5.860 3.491 12.252 1.00 51.22 H ATOM 433 HD21 LEU A 28 6.227 3.333 8.785 1.00 54.41 H ATOM 434 HD22 LEU A 28 6.295 2.061 10.003 1.00 30.42 H ATOM 435 HD23 LEU A 28 6.960 3.655 10.357 1.00 44.40 H ATOM 436 N ASP A 29 2.290 4.993 8.869 1.00 24.11 N ATOM 437 CA ASP A 29 2.134 6.409 8.561 1.00 13.14 C ATOM 438 C ASP A 29 0.728 6.702 8.047 1.00 44.40 C ATOM 439 O ASP A 29 0.051 7.607 8.536 1.00 43.21 O ATOM 440 CB ASP A 29 3.170 6.846 7.525 1.00 4.32 C ATOM 441 CG ASP A 29 4.433 7.391 8.163 1.00 3.12 C ATOM 442 OD1 ASP A 29 4.321 8.278 9.034 1.00 2.20 O ATOM 443 OD2 ASP A 29 5.533 6.932 7.791 1.00 42.04 O ATOM 444 H ASP A 29 2.545 4.373 8.153 1.00 4.32 H ATOM 445 HA ASP A 29 2.294 6.966 9.472 1.00 34.20 H ATOM 446 HB2 ASP A 29 3.438 5.997 6.913 1.00 35.40 H ATOM 447 HB3 ASP A 29 2.743 7.615 6.899 1.00 2.41 H ATOM 448 N LYS A 30 0.295 5.931 7.055 1.00 35.14 N ATOM 449 CA LYS A 30 -1.032 6.107 6.474 1.00 65.34 C ATOM 450 C LYS A 30 -2.117 5.662 7.448 1.00 5.33 C ATOM 451 O LYS A 30 -3.304 5.904 7.225 1.00 42.32 O ATOM 452 CB LYS A 30 -1.147 5.313 5.170 1.00 63.34 C ATOM 453 CG LYS A 30 -0.991 6.166 3.922 1.00 0.25 C ATOM 454 CD LYS A 30 -2.330 6.700 3.441 1.00 50.00 C ATOM 455 CE LYS A 30 -2.663 8.035 4.087 1.00 10.45 C ATOM 456 NZ LYS A 30 -3.389 8.938 3.152 1.00 42.42 N ATOM 457 H LYS A 30 0.879 5.226 6.707 1.00 3.21 H ATOM 458 HA LYS A 30 -1.163 7.156 6.259 1.00 13.01 H ATOM 459 HB2 LYS A 30 -0.383 4.550 5.157 1.00 2.41 H ATOM 460 HB3 LYS A 30 -2.118 4.838 5.136 1.00 45.11 H ATOM 461 HG2 LYS A 30 -0.343 7.001 4.147 1.00 31.21 H ATOM 462 HG3 LYS A 30 -0.550 5.566 3.140 1.00 72.30 H ATOM 463 HD2 LYS A 30 -2.291 6.830 2.370 1.00 40.33 H ATOM 464 HD3 LYS A 30 -3.102 5.986 3.690 1.00 14.13 H ATOM 465 HE2 LYS A 30 -3.280 7.857 4.954 1.00 42.23 H ATOM 466 HE3 LYS A 30 -1.742 8.512 4.392 1.00 12.45 H ATOM 467 HZ1 LYS A 30 -4.140 9.449 3.658 1.00 1.13 H ATOM 468 HZ2 LYS A 30 -3.817 8.386 2.383 1.00 70.05 H ATOM 469 HZ3 LYS A 30 -2.731 9.631 2.741 1.00 44.21 H ATOM 470 N HIS A 31 -1.703 5.014 8.533 1.00 0.13 N ATOM 471 CA HIS A 31 -2.641 4.539 9.544 1.00 52.12 C ATOM 472 C HIS A 31 -3.764 3.728 8.904 1.00 13.33 C ATOM 473 O HIS A 31 -4.869 3.651 9.441 1.00 70.45 O ATOM 474 CB HIS A 31 -3.226 5.718 10.322 1.00 43.44 C ATOM 475 CG HIS A 31 -2.198 6.512 11.068 1.00 60.01 C ATOM 476 ND1 HIS A 31 -1.816 7.785 10.698 1.00 11.33 N ATOM 477 CD2 HIS A 31 -1.473 6.208 12.169 1.00 13.03 C ATOM 478 CE1 HIS A 31 -0.900 8.229 11.540 1.00 21.04 C ATOM 479 NE2 HIS A 31 -0.674 7.291 12.443 1.00 42.11 N ATOM 480 H HIS A 31 -0.745 4.852 8.655 1.00 10.45 H ATOM 481 HA HIS A 31 -2.099 3.903 10.226 1.00 24.33 H ATOM 482 HB2 HIS A 31 -3.722 6.384 9.633 1.00 54.45 H ATOM 483 HB3 HIS A 31 -3.944 5.348 11.038 1.00 33.53 H ATOM 484 HD1 HIS A 31 -2.165 8.287 9.933 1.00 24.41 H ATOM 485 HD2 HIS A 31 -1.515 5.286 12.731 1.00 22.52 H ATOM 486 HE1 HIS A 31 -0.417 9.194 11.498 1.00 33.12 H ATOM 487 N ALA A 32 -3.473 3.127 7.756 1.00 33.31 N ATOM 488 CA ALA A 32 -4.458 2.322 7.045 1.00 74.33 C ATOM 489 C ALA A 32 -4.910 1.135 7.889 1.00 34.34 C ATOM 490 O ALA A 32 -4.687 1.102 9.099 1.00 23.42 O ATOM 491 CB ALA A 32 -3.889 1.841 5.718 1.00 1.20 C ATOM 492 H ALA A 32 -2.575 3.226 7.379 1.00 65.41 H ATOM 493 HA ALA A 32 -5.313 2.948 6.836 1.00 73.42 H ATOM 494 HB1 ALA A 32 -3.726 0.775 5.762 1.00 72.23 H ATOM 495 HB2 ALA A 32 -4.587 2.067 4.924 1.00 4.04 H ATOM 496 HB3 ALA A 32 -2.951 2.341 5.527 1.00 0.12 H ATOM 497 N ARG A 33 -5.547 0.163 7.243 1.00 12.30 N ATOM 498 CA ARG A 33 -6.032 -1.024 7.936 1.00 34.42 C ATOM 499 C ARG A 33 -5.650 -2.291 7.176 1.00 3.45 C ATOM 500 O ARG A 33 -5.298 -3.305 7.778 1.00 1.10 O ATOM 501 CB ARG A 33 -7.552 -0.957 8.106 1.00 44.15 C ATOM 502 CG ARG A 33 -8.281 -0.463 6.866 1.00 20.33 C ATOM 503 CD ARG A 33 -9.464 -1.355 6.524 1.00 71.10 C ATOM 504 NE ARG A 33 -9.724 -1.390 5.088 1.00 52.45 N ATOM 505 CZ ARG A 33 -10.672 -2.136 4.531 1.00 63.34 C ATOM 506 NH1 ARG A 33 -11.444 -2.906 5.286 1.00 45.15 N ATOM 507 NH2 ARG A 33 -10.848 -2.115 3.215 1.00 51.42 N ATOM 508 H ARG A 33 -5.696 0.248 6.278 1.00 25.14 H ATOM 509 HA ARG A 33 -5.572 -1.051 8.912 1.00 3.30 H ATOM 510 HB2 ARG A 33 -7.920 -1.945 8.342 1.00 25.03 H ATOM 511 HB3 ARG A 33 -7.782 -0.290 8.922 1.00 23.31 H ATOM 512 HG2 ARG A 33 -8.641 0.540 7.048 1.00 22.42 H ATOM 513 HG3 ARG A 33 -7.593 -0.455 6.034 1.00 30.11 H ATOM 514 HD2 ARG A 33 -9.254 -2.357 6.866 1.00 43.13 H ATOM 515 HD3 ARG A 33 -10.340 -0.978 7.031 1.00 44.15 H ATOM 516 HE ARG A 33 -9.165 -0.829 4.511 1.00 41.43 H ATOM 517 HH11 ARG A 33 -11.314 -2.923 6.276 1.00 42.11 H ATOM 518 HH12 ARG A 33 -12.157 -3.466 4.863 1.00 21.30 H ATOM 519 HH21 ARG A 33 -10.268 -1.536 2.643 1.00 44.30 H ATOM 520 HH22 ARG A 33 -11.560 -2.677 2.797 1.00 40.21 H ATOM 521 N SER A 34 -5.722 -2.225 5.851 1.00 11.51 N ATOM 522 CA SER A 34 -5.387 -3.368 5.009 1.00 52.44 C ATOM 523 C SER A 34 -4.363 -2.978 3.948 1.00 23.11 C ATOM 524 O SER A 34 -4.447 -3.410 2.800 1.00 64.44 O ATOM 525 CB SER A 34 -6.648 -3.920 4.339 1.00 4.10 C ATOM 526 OG SER A 34 -7.679 -4.131 5.288 1.00 22.31 O ATOM 527 H SER A 34 -6.011 -1.388 5.430 1.00 45.13 H ATOM 528 HA SER A 34 -4.961 -4.131 5.642 1.00 74.53 H ATOM 529 HB2 SER A 34 -6.995 -3.217 3.597 1.00 35.24 H ATOM 530 HB3 SER A 34 -6.414 -4.862 3.862 1.00 12.35 H ATOM 531 HG SER A 34 -8.149 -3.308 5.437 1.00 54.20 H ATOM 532 N GLY A 35 -3.393 -2.158 4.343 1.00 15.01 N ATOM 533 CA GLY A 35 -2.366 -1.724 3.415 1.00 62.24 C ATOM 534 C GLY A 35 -1.781 -2.873 2.618 1.00 73.44 C ATOM 535 O GLY A 35 -1.273 -3.837 3.187 1.00 31.04 O ATOM 536 H GLY A 35 -3.376 -1.846 5.272 1.00 55.21 H ATOM 537 HA2 GLY A 35 -2.792 -1.005 2.732 1.00 34.31 H ATOM 538 HA3 GLY A 35 -1.572 -1.248 3.972 1.00 25.13 H ATOM 539 N GLU A 36 -1.857 -2.771 1.294 1.00 3.42 N ATOM 540 CA GLU A 36 -1.332 -3.812 0.417 1.00 13.23 C ATOM 541 C GLU A 36 -1.018 -3.251 -0.966 1.00 23.12 C ATOM 542 O GLU A 36 -1.488 -2.174 -1.334 1.00 33.21 O ATOM 543 CB GLU A 36 -2.336 -4.961 0.297 1.00 15.40 C ATOM 544 CG GLU A 36 -1.690 -6.308 0.022 1.00 22.13 C ATOM 545 CD GLU A 36 -2.549 -7.471 0.477 1.00 24.44 C ATOM 546 OE1 GLU A 36 -3.726 -7.241 0.822 1.00 10.22 O ATOM 547 OE2 GLU A 36 -2.042 -8.613 0.487 1.00 10.15 O ATOM 548 H GLU A 36 -2.274 -1.977 0.898 1.00 63.44 H ATOM 549 HA GLU A 36 -0.421 -4.188 0.856 1.00 13.21 H ATOM 550 HB2 GLU A 36 -2.894 -5.034 1.219 1.00 12.34 H ATOM 551 HB3 GLU A 36 -3.020 -4.742 -0.509 1.00 71.45 H ATOM 552 HG2 GLU A 36 -1.518 -6.400 -1.040 1.00 71.53 H ATOM 553 HG3 GLU A 36 -0.744 -6.352 0.543 1.00 72.44 H ATOM 554 N CYS A 37 -0.217 -3.988 -1.729 1.00 1.55 N ATOM 555 CA CYS A 37 0.164 -3.565 -3.071 1.00 42.21 C ATOM 556 C CYS A 37 -0.618 -4.341 -4.127 1.00 42.33 C ATOM 557 O CYS A 37 -1.016 -5.484 -3.906 1.00 24.21 O ATOM 558 CB CYS A 37 1.666 -3.763 -3.285 1.00 1.32 C ATOM 559 SG CYS A 37 2.163 -5.502 -3.500 1.00 13.02 S ATOM 560 H CYS A 37 0.128 -4.838 -1.380 1.00 15.30 H ATOM 561 HA CYS A 37 -0.069 -2.515 -3.168 1.00 35.12 H ATOM 562 HB2 CYS A 37 1.970 -3.224 -4.169 1.00 42.32 H ATOM 563 HB3 CYS A 37 2.198 -3.371 -2.430 1.00 60.35 H ATOM 564 N PHE A 38 -0.835 -3.710 -5.277 1.00 65.31 N ATOM 565 CA PHE A 38 -1.568 -4.340 -6.368 1.00 54.01 C ATOM 566 C PHE A 38 -1.290 -3.632 -7.691 1.00 54.01 C ATOM 567 O PHE A 38 -0.954 -2.448 -7.716 1.00 12.43 O ATOM 568 CB PHE A 38 -3.071 -4.326 -6.076 1.00 1.03 C ATOM 569 CG PHE A 38 -3.552 -5.555 -5.358 1.00 12.51 C ATOM 570 CD1 PHE A 38 -3.340 -6.814 -5.894 1.00 52.13 C ATOM 571 CD2 PHE A 38 -4.219 -5.449 -4.147 1.00 70.35 C ATOM 572 CE1 PHE A 38 -3.782 -7.947 -5.237 1.00 32.20 C ATOM 573 CE2 PHE A 38 -4.663 -6.579 -3.485 1.00 42.14 C ATOM 574 CZ PHE A 38 -4.445 -7.829 -4.031 1.00 42.24 C ATOM 575 H PHE A 38 -0.492 -2.798 -5.394 1.00 34.31 H ATOM 576 HA PHE A 38 -1.235 -5.363 -6.444 1.00 62.23 H ATOM 577 HB2 PHE A 38 -3.302 -3.471 -5.459 1.00 34.13 H ATOM 578 HB3 PHE A 38 -3.611 -4.251 -7.007 1.00 12.42 H ATOM 579 HD1 PHE A 38 -2.822 -6.908 -6.838 1.00 41.03 H ATOM 580 HD2 PHE A 38 -4.390 -4.473 -3.720 1.00 54.34 H ATOM 581 HE1 PHE A 38 -3.611 -8.923 -5.667 1.00 41.32 H ATOM 582 HE2 PHE A 38 -5.181 -6.483 -2.543 1.00 22.30 H ATOM 583 HZ PHE A 38 -4.790 -8.713 -3.516 1.00 54.51 H ATOM 584 N TYR A 39 -1.433 -4.366 -8.789 1.00 31.24 N ATOM 585 CA TYR A 39 -1.195 -3.810 -10.115 1.00 62.44 C ATOM 586 C TYR A 39 -2.111 -2.619 -10.381 1.00 23.22 C ATOM 587 O TYR A 39 -3.312 -2.674 -10.114 1.00 62.13 O ATOM 588 CB TYR A 39 -1.410 -4.881 -11.186 1.00 22.20 C ATOM 589 CG TYR A 39 -2.828 -5.404 -11.245 1.00 1.43 C ATOM 590 CD1 TYR A 39 -3.246 -6.430 -10.407 1.00 51.20 C ATOM 591 CD2 TYR A 39 -3.750 -4.869 -12.136 1.00 41.54 C ATOM 592 CE1 TYR A 39 -4.540 -6.911 -10.457 1.00 53.52 C ATOM 593 CE2 TYR A 39 -5.047 -5.342 -12.193 1.00 24.05 C ATOM 594 CZ TYR A 39 -5.437 -6.363 -11.351 1.00 42.14 C ATOM 595 OH TYR A 39 -6.727 -6.838 -11.403 1.00 72.05 O ATOM 596 H TYR A 39 -1.703 -5.304 -8.706 1.00 1.23 H ATOM 597 HA TYR A 39 -0.168 -3.477 -10.156 1.00 11.42 H ATOM 598 HB2 TYR A 39 -1.170 -4.468 -12.153 1.00 45.22 H ATOM 599 HB3 TYR A 39 -0.756 -5.717 -10.986 1.00 30.21 H ATOM 600 HD1 TYR A 39 -2.542 -6.856 -9.707 1.00 22.11 H ATOM 601 HD2 TYR A 39 -3.441 -4.069 -12.794 1.00 63.22 H ATOM 602 HE1 TYR A 39 -4.847 -7.709 -9.797 1.00 63.33 H ATOM 603 HE2 TYR A 39 -5.749 -4.914 -12.892 1.00 44.14 H ATOM 604 HH TYR A 39 -7.310 -6.145 -11.725 1.00 21.34 H ATOM 605 N ASP A 40 -1.536 -1.545 -10.907 1.00 44.31 N ATOM 606 CA ASP A 40 -2.299 -0.340 -11.211 1.00 41.23 C ATOM 607 C ASP A 40 -2.799 -0.362 -12.651 1.00 52.13 C ATOM 608 O ASP A 40 -2.581 -1.330 -13.380 1.00 13.15 O ATOM 609 CB ASP A 40 -1.442 0.906 -10.975 1.00 32.01 C ATOM 610 CG ASP A 40 -2.218 2.025 -10.308 1.00 60.45 C ATOM 611 OD1 ASP A 40 -2.987 1.735 -9.368 1.00 22.40 O ATOM 612 OD2 ASP A 40 -2.055 3.190 -10.727 1.00 15.13 O ATOM 613 H ASP A 40 -0.574 -1.562 -11.098 1.00 5.30 H ATOM 614 HA ASP A 40 -3.150 -0.310 -10.547 1.00 71.22 H ATOM 615 HB2 ASP A 40 -0.606 0.645 -10.342 1.00 33.04 H ATOM 616 HB3 ASP A 40 -1.071 1.264 -11.923 1.00 52.23 H ATOM 617 N GLU A 41 -3.473 0.711 -13.056 1.00 31.51 N ATOM 618 CA GLU A 41 -4.006 0.812 -14.409 1.00 73.00 C ATOM 619 C GLU A 41 -2.878 0.928 -15.431 1.00 33.35 C ATOM 620 O GLU A 41 -3.074 0.676 -16.620 1.00 34.34 O ATOM 621 CB GLU A 41 -4.939 2.020 -14.524 1.00 20.42 C ATOM 622 CG GLU A 41 -4.241 3.351 -14.309 1.00 4.52 C ATOM 623 CD GLU A 41 -5.199 4.454 -13.902 1.00 25.33 C ATOM 624 OE1 GLU A 41 -6.387 4.378 -14.279 1.00 44.20 O ATOM 625 OE2 GLU A 41 -4.760 5.394 -13.206 1.00 63.21 O ATOM 626 H GLU A 41 -3.615 1.451 -12.429 1.00 2.23 H ATOM 627 HA GLU A 41 -4.569 -0.086 -14.612 1.00 33.55 H ATOM 628 HB2 GLU A 41 -5.383 2.023 -15.508 1.00 41.32 H ATOM 629 HB3 GLU A 41 -5.723 1.925 -13.786 1.00 43.42 H ATOM 630 HG2 GLU A 41 -3.500 3.234 -13.532 1.00 0.00 H ATOM 631 HG3 GLU A 41 -3.753 3.640 -15.228 1.00 61.33 H ATOM 632 N LYS A 42 -1.698 1.311 -14.959 1.00 41.42 N ATOM 633 CA LYS A 42 -0.538 1.460 -15.829 1.00 44.44 C ATOM 634 C LYS A 42 0.391 0.256 -15.709 1.00 51.34 C ATOM 635 O LYS A 42 1.588 0.353 -15.979 1.00 10.43 O ATOM 636 CB LYS A 42 0.225 2.741 -15.482 1.00 40.33 C ATOM 637 CG LYS A 42 -0.541 4.012 -15.805 1.00 61.02 C ATOM 638 CD LYS A 42 -0.476 4.341 -17.288 1.00 32.51 C ATOM 639 CE LYS A 42 -1.145 5.671 -17.594 1.00 41.21 C ATOM 640 NZ LYS A 42 -0.307 6.825 -17.163 1.00 74.43 N ATOM 641 H LYS A 42 -1.604 1.498 -14.001 1.00 2.41 H ATOM 642 HA LYS A 42 -0.892 1.528 -16.847 1.00 21.14 H ATOM 643 HB2 LYS A 42 0.447 2.739 -14.425 1.00 1.22 H ATOM 644 HB3 LYS A 42 1.153 2.755 -16.035 1.00 41.34 H ATOM 645 HG2 LYS A 42 -1.574 3.881 -15.521 1.00 54.24 H ATOM 646 HG3 LYS A 42 -0.113 4.832 -15.245 1.00 71.33 H ATOM 647 HD2 LYS A 42 0.559 4.392 -17.591 1.00 71.42 H ATOM 648 HD3 LYS A 42 -0.977 3.559 -17.842 1.00 53.43 H ATOM 649 HE2 LYS A 42 -1.314 5.738 -18.658 1.00 35.10 H ATOM 650 HE3 LYS A 42 -2.091 5.711 -17.075 1.00 54.42 H ATOM 651 HZ1 LYS A 42 -0.907 7.572 -16.761 1.00 52.23 H ATOM 652 HZ2 LYS A 42 0.212 7.212 -17.977 1.00 3.12 H ATOM 653 HZ3 LYS A 42 0.377 6.520 -16.443 1.00 23.52 H ATOM 654 N ARG A 43 -0.170 -0.879 -15.306 1.00 64.31 N ATOM 655 CA ARG A 43 0.608 -2.103 -15.152 1.00 12.20 C ATOM 656 C ARG A 43 1.762 -1.894 -14.176 1.00 12.12 C ATOM 657 O ARG A 43 2.761 -2.610 -14.220 1.00 45.42 O ATOM 658 CB ARG A 43 1.148 -2.563 -16.507 1.00 71.41 C ATOM 659 CG ARG A 43 0.094 -3.198 -17.399 1.00 74.20 C ATOM 660 CD ARG A 43 -0.617 -2.156 -18.249 1.00 34.20 C ATOM 661 NE ARG A 43 0.268 -1.571 -19.252 1.00 63.11 N ATOM 662 CZ ARG A 43 0.583 -2.172 -20.395 1.00 53.32 C ATOM 663 NH1 ARG A 43 0.085 -3.368 -20.677 1.00 45.30 N ATOM 664 NH2 ARG A 43 1.395 -1.576 -21.257 1.00 54.43 N ATOM 665 H ARG A 43 -1.130 -0.895 -15.107 1.00 4.15 H ATOM 666 HA ARG A 43 -0.047 -2.865 -14.758 1.00 14.43 H ATOM 667 HB2 ARG A 43 1.560 -1.711 -17.026 1.00 5.22 H ATOM 668 HB3 ARG A 43 1.931 -3.287 -16.341 1.00 71.45 H ATOM 669 HG2 ARG A 43 0.571 -3.913 -18.052 1.00 20.41 H ATOM 670 HG3 ARG A 43 -0.632 -3.702 -16.779 1.00 55.41 H ATOM 671 HD2 ARG A 43 -1.451 -2.627 -18.749 1.00 60.32 H ATOM 672 HD3 ARG A 43 -0.981 -1.372 -17.603 1.00 33.33 H ATOM 673 HE ARG A 43 0.647 -0.687 -19.064 1.00 31.45 H ATOM 674 HH11 ARG A 43 -0.529 -3.820 -20.029 1.00 43.52 H ATOM 675 HH12 ARG A 43 0.322 -3.817 -21.539 1.00 20.14 H ATOM 676 HH21 ARG A 43 1.771 -0.673 -21.048 1.00 25.41 H ATOM 677 HH22 ARG A 43 1.631 -2.028 -22.117 1.00 31.15 H ATOM 678 N ASN A 44 1.617 -0.907 -13.297 1.00 33.32 N ATOM 679 CA ASN A 44 2.647 -0.603 -12.311 1.00 71.33 C ATOM 680 C ASN A 44 2.255 -1.129 -10.934 1.00 3.41 C ATOM 681 O ASN A 44 1.165 -0.845 -10.436 1.00 53.13 O ATOM 682 CB ASN A 44 2.889 0.906 -12.245 1.00 21.43 C ATOM 683 CG ASN A 44 3.631 1.427 -13.459 1.00 3.21 C ATOM 684 OD1 ASN A 44 3.900 0.684 -14.403 1.00 52.23 O ATOM 685 ND2 ASN A 44 3.968 2.712 -13.440 1.00 1.01 N ATOM 686 H ASN A 44 0.797 -0.371 -13.312 1.00 14.32 H ATOM 687 HA ASN A 44 3.558 -1.091 -12.624 1.00 40.32 H ATOM 688 HB2 ASN A 44 1.937 1.414 -12.183 1.00 11.32 H ATOM 689 HB3 ASN A 44 3.471 1.133 -11.364 1.00 1.32 H ATOM 690 HD21 ASN A 44 3.723 3.243 -12.655 1.00 13.53 H ATOM 691 HD22 ASN A 44 4.449 3.075 -14.213 1.00 52.33 H ATOM 692 N LEU A 45 3.150 -1.896 -10.322 1.00 62.12 N ATOM 693 CA LEU A 45 2.899 -2.462 -9.002 1.00 52.30 C ATOM 694 C LEU A 45 3.333 -1.495 -7.904 1.00 64.45 C ATOM 695 O LEU A 45 4.515 -1.172 -7.782 1.00 15.54 O ATOM 696 CB LEU A 45 3.636 -3.793 -8.846 1.00 0.42 C ATOM 697 CG LEU A 45 3.519 -4.766 -10.020 1.00 2.23 C ATOM 698 CD1 LEU A 45 4.622 -5.811 -9.959 1.00 23.32 C ATOM 699 CD2 LEU A 45 2.151 -5.432 -10.027 1.00 14.34 C ATOM 700 H LEU A 45 4.001 -2.088 -10.769 1.00 42.35 H ATOM 701 HA LEU A 45 1.837 -2.635 -8.912 1.00 61.42 H ATOM 702 HB2 LEU A 45 4.684 -3.576 -8.700 1.00 54.35 H ATOM 703 HB3 LEU A 45 3.247 -4.286 -7.966 1.00 54.45 H ATOM 704 HG LEU A 45 3.630 -4.219 -10.946 1.00 11.34 H ATOM 705 HD11 LEU A 45 4.496 -6.516 -10.767 1.00 61.11 H ATOM 706 HD12 LEU A 45 4.570 -6.334 -9.015 1.00 4.35 H ATOM 707 HD13 LEU A 45 5.583 -5.326 -10.049 1.00 23.32 H ATOM 708 HD21 LEU A 45 1.638 -5.208 -9.103 1.00 54.21 H ATOM 709 HD22 LEU A 45 2.271 -6.500 -10.122 1.00 23.11 H ATOM 710 HD23 LEU A 45 1.573 -5.058 -10.860 1.00 70.12 H ATOM 711 N GLN A 46 2.371 -1.041 -7.108 1.00 23.31 N ATOM 712 CA GLN A 46 2.655 -0.113 -6.019 1.00 63.32 C ATOM 713 C GLN A 46 1.918 -0.523 -4.749 1.00 33.21 C ATOM 714 O GLN A 46 0.964 -1.300 -4.795 1.00 0.22 O ATOM 715 CB GLN A 46 2.259 1.309 -6.417 1.00 2.21 C ATOM 716 CG GLN A 46 2.792 1.731 -7.777 1.00 73.34 C ATOM 717 CD GLN A 46 4.306 1.733 -7.837 1.00 61.32 C ATOM 718 OE1 GLN A 46 4.979 1.518 -6.828 1.00 20.42 O ATOM 719 NE2 GLN A 46 4.853 1.976 -9.022 1.00 74.22 N ATOM 720 H GLN A 46 1.449 -1.336 -7.256 1.00 20.34 H ATOM 721 HA GLN A 46 3.717 -0.141 -5.829 1.00 65.41 H ATOM 722 HB2 GLN A 46 1.182 1.378 -6.439 1.00 63.32 H ATOM 723 HB3 GLN A 46 2.641 1.997 -5.678 1.00 5.25 H ATOM 724 HG2 GLN A 46 2.419 1.046 -8.524 1.00 75.41 H ATOM 725 HG3 GLN A 46 2.436 2.727 -7.996 1.00 10.21 H ATOM 726 HE21 GLN A 46 4.254 2.140 -9.783 1.00 24.44 H ATOM 727 HE22 GLN A 46 5.829 1.984 -9.089 1.00 12.00 H ATOM 728 N CYS A 47 2.366 0.004 -3.614 1.00 3.20 N ATOM 729 CA CYS A 47 1.751 -0.306 -2.330 1.00 0.25 C ATOM 730 C CYS A 47 0.685 0.727 -1.974 1.00 53.04 C ATOM 731 O CYS A 47 0.998 1.881 -1.684 1.00 55.30 O ATOM 732 CB CYS A 47 2.813 -0.359 -1.230 1.00 52.41 C ATOM 733 SG CYS A 47 2.247 -1.142 0.314 1.00 40.15 S ATOM 734 H CYS A 47 3.132 0.617 -3.641 1.00 51.41 H ATOM 735 HA CYS A 47 1.282 -1.275 -2.412 1.00 54.45 H ATOM 736 HB2 CYS A 47 3.664 -0.918 -1.590 1.00 23.33 H ATOM 737 HB3 CYS A 47 3.125 0.648 -0.994 1.00 20.13 H ATOM 738 N ILE A 48 -0.574 0.302 -1.999 1.00 34.11 N ATOM 739 CA ILE A 48 -1.686 1.189 -1.678 1.00 44.24 C ATOM 740 C ILE A 48 -2.123 1.020 -0.227 1.00 62.53 C ATOM 741 O ILE A 48 -2.072 -0.081 0.323 1.00 0.15 O ATOM 742 CB ILE A 48 -2.893 0.935 -2.600 1.00 24.44 C ATOM 743 CG1 ILE A 48 -2.476 1.050 -4.067 1.00 21.33 C ATOM 744 CG2 ILE A 48 -4.015 1.912 -2.284 1.00 70.31 C ATOM 745 CD1 ILE A 48 -2.134 -0.279 -4.704 1.00 71.42 C ATOM 746 H ILE A 48 -0.760 -0.630 -2.238 1.00 42.32 H ATOM 747 HA ILE A 48 -1.352 2.206 -1.826 1.00 15.11 H ATOM 748 HB ILE A 48 -3.256 -0.065 -2.413 1.00 5.35 H ATOM 749 HG12 ILE A 48 -3.283 1.489 -4.631 1.00 2.34 H ATOM 750 HG13 ILE A 48 -1.605 1.686 -4.137 1.00 21.44 H ATOM 751 HG21 ILE A 48 -3.661 2.923 -2.421 1.00 1.14 H ATOM 752 HG22 ILE A 48 -4.847 1.731 -2.948 1.00 32.55 H ATOM 753 HG23 ILE A 48 -4.333 1.778 -1.261 1.00 60.33 H ATOM 754 HD11 ILE A 48 -2.310 -1.075 -3.994 1.00 25.02 H ATOM 755 HD12 ILE A 48 -2.756 -0.433 -5.574 1.00 2.31 H ATOM 756 HD13 ILE A 48 -1.095 -0.282 -4.997 1.00 14.03 H ATOM 757 N CYS A 49 -2.553 2.116 0.388 1.00 42.05 N ATOM 758 CA CYS A 49 -3.001 2.090 1.775 1.00 73.22 C ATOM 759 C CYS A 49 -4.466 2.505 1.881 1.00 3.41 C ATOM 760 O CYS A 49 -4.875 3.524 1.323 1.00 41.52 O ATOM 761 CB CYS A 49 -2.133 3.015 2.630 1.00 55.23 C ATOM 762 SG CYS A 49 -0.347 2.869 2.306 1.00 74.54 S ATOM 763 H CYS A 49 -2.570 2.965 -0.104 1.00 63.11 H ATOM 764 HA CYS A 49 -2.900 1.079 2.137 1.00 71.31 H ATOM 765 HB2 CYS A 49 -2.419 4.040 2.440 1.00 3.12 H ATOM 766 HB3 CYS A 49 -2.299 2.788 3.673 1.00 22.31 H ATOM 767 N ASP A 50 -5.249 1.711 2.601 1.00 14.15 N ATOM 768 CA ASP A 50 -6.668 1.996 2.782 1.00 15.51 C ATOM 769 C ASP A 50 -6.973 2.333 4.239 1.00 53.25 C ATOM 770 O ASP A 50 -6.793 1.502 5.130 1.00 72.13 O ATOM 771 CB ASP A 50 -7.511 0.802 2.335 1.00 74.33 C ATOM 772 CG ASP A 50 -6.914 0.086 1.140 1.00 44.45 C ATOM 773 OD1 ASP A 50 -5.992 -0.731 1.339 1.00 73.41 O ATOM 774 OD2 ASP A 50 -7.367 0.345 0.005 1.00 74.54 O ATOM 775 H ASP A 50 -4.865 0.913 3.022 1.00 3.10 H ATOM 776 HA ASP A 50 -6.916 2.850 2.170 1.00 42.12 H ATOM 777 HB2 ASP A 50 -7.589 0.098 3.151 1.00 1.13 H ATOM 778 HB3 ASP A 50 -8.500 1.147 2.068 1.00 23.11 H ATOM 779 N TYR A 51 -7.433 3.557 4.473 1.00 33.34 N ATOM 780 CA TYR A 51 -7.758 4.005 5.823 1.00 55.34 C ATOM 781 C TYR A 51 -9.270 4.096 6.016 1.00 21.11 C ATOM 782 O TYR A 51 -9.960 4.807 5.285 1.00 44.12 O ATOM 783 CB TYR A 51 -7.115 5.364 6.100 1.00 54.30 C ATOM 784 CG TYR A 51 -7.363 5.877 7.501 1.00 34.45 C ATOM 785 CD1 TYR A 51 -7.275 5.028 8.598 1.00 55.33 C ATOM 786 CD2 TYR A 51 -7.683 7.209 7.728 1.00 15.24 C ATOM 787 CE1 TYR A 51 -7.501 5.492 9.880 1.00 52.21 C ATOM 788 CE2 TYR A 51 -7.910 7.682 9.006 1.00 14.33 C ATOM 789 CZ TYR A 51 -7.819 6.819 10.078 1.00 3.31 C ATOM 790 OH TYR A 51 -8.044 7.286 11.354 1.00 61.41 O ATOM 791 H TYR A 51 -7.555 4.175 3.723 1.00 63.13 H ATOM 792 HA TYR A 51 -7.361 3.281 6.518 1.00 74.24 H ATOM 793 HB2 TYR A 51 -6.048 5.285 5.962 1.00 70.04 H ATOM 794 HB3 TYR A 51 -7.511 6.091 5.406 1.00 23.03 H ATOM 795 HD1 TYR A 51 -7.027 3.989 8.439 1.00 44.22 H ATOM 796 HD2 TYR A 51 -7.755 7.883 6.886 1.00 55.11 H ATOM 797 HE1 TYR A 51 -7.429 4.816 10.719 1.00 12.52 H ATOM 798 HE2 TYR A 51 -8.159 8.721 9.162 1.00 1.52 H ATOM 799 HH TYR A 51 -8.771 7.913 11.341 1.00 24.42 H ATOM 800 N CYS A 52 -9.777 3.370 7.007 1.00 50.31 N ATOM 801 CA CYS A 52 -11.205 3.368 7.299 1.00 12.02 C ATOM 802 C CYS A 52 -11.511 4.226 8.523 1.00 35.32 C ATOM 803 O CYS A 52 -10.901 4.059 9.578 1.00 52.12 O ATOM 804 CB CYS A 52 -11.697 1.937 7.529 1.00 32.23 C ATOM 805 SG CYS A 52 -12.276 1.098 6.020 1.00 40.12 S ATOM 806 H CYS A 52 -9.176 2.823 7.556 1.00 53.34 H ATOM 807 HA CYS A 52 -11.719 3.783 6.446 1.00 13.11 H ATOM 808 HB2 CYS A 52 -10.890 1.349 7.942 1.00 43.31 H ATOM 809 HB3 CYS A 52 -12.518 1.955 8.231 1.00 44.42 H