ATOM 23 N LYS A 4 -11.062 5.602 2.789 1.00 63.02 N ATOM 24 CA LYS A 4 -10.184 6.286 1.846 1.00 12.13 C ATOM 25 C LYS A 4 -9.021 5.389 1.436 1.00 22.14 C ATOM 26 O LYS A 4 -8.607 4.509 2.191 1.00 71.32 O ATOM 27 CB LYS A 4 -9.651 7.581 2.462 1.00 4.05 C ATOM 28 CG LYS A 4 -8.575 7.357 3.512 1.00 53.41 C ATOM 29 CD LYS A 4 -7.219 7.849 3.034 1.00 0.45 C ATOM 30 CE LYS A 4 -6.946 9.272 3.500 1.00 53.12 C ATOM 31 NZ LYS A 4 -5.539 9.680 3.239 1.00 3.23 N ATOM 32 H LYS A 4 -10.690 5.274 3.635 1.00 61.20 H ATOM 33 HA LYS A 4 -10.764 6.528 0.968 1.00 0.03 H ATOM 34 HB2 LYS A 4 -9.235 8.196 1.678 1.00 60.42 H ATOM 35 HB3 LYS A 4 -10.471 8.110 2.926 1.00 71.21 H ATOM 36 HG2 LYS A 4 -8.843 7.893 4.411 1.00 74.01 H ATOM 37 HG3 LYS A 4 -8.509 6.300 3.727 1.00 50.54 H ATOM 38 HD2 LYS A 4 -6.451 7.201 3.428 1.00 21.41 H ATOM 39 HD3 LYS A 4 -7.196 7.823 1.954 1.00 24.42 H ATOM 40 HE2 LYS A 4 -7.609 9.941 2.974 1.00 15.33 H ATOM 41 HE3 LYS A 4 -7.139 9.333 4.561 1.00 75.04 H ATOM 42 HZ1 LYS A 4 -5.470 10.717 3.191 1.00 53.41 H ATOM 43 HZ2 LYS A 4 -5.211 9.279 2.336 1.00 14.42 H ATOM 44 HZ3 LYS A 4 -4.919 9.338 4.001 1.00 35.13 H ATOM 45 N ARG A 5 -8.497 5.619 0.237 1.00 71.33 N ATOM 46 CA ARG A 5 -7.381 4.831 -0.274 1.00 40.00 C ATOM 47 C ARG A 5 -6.475 5.682 -1.160 1.00 21.11 C ATOM 48 O ARG A 5 -6.940 6.583 -1.858 1.00 22.11 O ATOM 49 CB ARG A 5 -7.898 3.627 -1.062 1.00 72.30 C ATOM 50 CG ARG A 5 -8.899 3.992 -2.146 1.00 63.41 C ATOM 51 CD ARG A 5 -8.200 4.458 -3.414 1.00 43.45 C ATOM 52 NE ARG A 5 -8.752 3.824 -4.608 1.00 73.11 N ATOM 53 CZ ARG A 5 -8.152 3.839 -5.793 1.00 5.22 C ATOM 54 NH1 ARG A 5 -6.985 4.453 -5.941 1.00 60.30 N ATOM 55 NH2 ARG A 5 -8.718 3.239 -6.832 1.00 44.52 N ATOM 56 H ARG A 5 -8.870 6.335 -0.320 1.00 22.34 H ATOM 57 HA ARG A 5 -6.810 4.479 0.572 1.00 63.20 H ATOM 58 HB2 ARG A 5 -7.059 3.130 -1.529 1.00 14.34 H ATOM 59 HB3 ARG A 5 -8.376 2.942 -0.378 1.00 23.32 H ATOM 60 HG2 ARG A 5 -9.497 3.124 -2.377 1.00 73.33 H ATOM 61 HG3 ARG A 5 -9.535 4.784 -1.783 1.00 3.32 H ATOM 62 HD2 ARG A 5 -8.317 5.528 -3.500 1.00 3.11 H ATOM 63 HD3 ARG A 5 -7.150 4.215 -3.341 1.00 53.34 H ATOM 64 HE ARG A 5 -9.613 3.365 -4.521 1.00 52.44 H ATOM 65 HH11 ARG A 5 -6.556 4.904 -5.158 1.00 74.42 H ATOM 66 HH12 ARG A 5 -6.534 4.461 -6.834 1.00 32.00 H ATOM 67 HH21 ARG A 5 -9.596 2.775 -6.725 1.00 51.53 H ATOM 68 HH22 ARG A 5 -8.264 3.251 -7.723 1.00 61.12 H ATOM 69 N LYS A 6 -5.180 5.389 -1.126 1.00 63.01 N ATOM 70 CA LYS A 6 -4.208 6.126 -1.925 1.00 64.44 C ATOM 71 C LYS A 6 -2.952 5.291 -2.161 1.00 35.14 C ATOM 72 O LYS A 6 -2.519 4.543 -1.284 1.00 41.20 O ATOM 73 CB LYS A 6 -3.837 7.439 -1.233 1.00 72.02 C ATOM 74 CG LYS A 6 -2.705 8.188 -1.916 1.00 11.24 C ATOM 75 CD LYS A 6 -2.655 9.642 -1.477 1.00 75.40 C ATOM 76 CE LYS A 6 -3.668 10.488 -2.235 1.00 23.44 C ATOM 77 NZ LYS A 6 -4.139 11.645 -1.426 1.00 41.44 N ATOM 78 H LYS A 6 -4.870 4.660 -0.549 1.00 63.50 H ATOM 79 HA LYS A 6 -4.662 6.347 -2.879 1.00 3.21 H ATOM 80 HB2 LYS A 6 -4.706 8.080 -1.215 1.00 64.34 H ATOM 81 HB3 LYS A 6 -3.537 7.224 -0.218 1.00 12.04 H ATOM 82 HG2 LYS A 6 -1.769 7.714 -1.662 1.00 3.32 H ATOM 83 HG3 LYS A 6 -2.853 8.148 -2.985 1.00 53.10 H ATOM 84 HD2 LYS A 6 -2.874 9.700 -0.422 1.00 33.52 H ATOM 85 HD3 LYS A 6 -1.664 10.031 -1.663 1.00 34.15 H ATOM 86 HE2 LYS A 6 -3.207 10.854 -3.139 1.00 32.00 H ATOM 87 HE3 LYS A 6 -4.516 9.868 -2.490 1.00 0.43 H ATOM 88 HZ1 LYS A 6 -4.002 12.531 -1.955 1.00 71.21 H ATOM 89 HZ2 LYS A 6 -3.605 11.700 -0.535 1.00 53.02 H ATOM 90 HZ3 LYS A 6 -5.150 11.539 -1.206 1.00 40.40 H ATOM 91 N VAL A 7 -2.373 5.425 -3.349 1.00 61.20 N ATOM 92 CA VAL A 7 -1.166 4.685 -3.698 1.00 22.45 C ATOM 93 C VAL A 7 0.072 5.568 -3.587 1.00 75.12 C ATOM 94 O VAL A 7 0.045 6.741 -3.959 1.00 22.42 O ATOM 95 CB VAL A 7 -1.250 4.115 -5.127 1.00 22.33 C ATOM 96 CG1 VAL A 7 -1.496 5.230 -6.132 1.00 33.21 C ATOM 97 CG2 VAL A 7 0.017 3.347 -5.469 1.00 63.23 C ATOM 98 H VAL A 7 -2.765 6.036 -4.007 1.00 21.52 H ATOM 99 HA VAL A 7 -1.070 3.858 -3.009 1.00 41.01 H ATOM 100 HB VAL A 7 -2.083 3.430 -5.171 1.00 73.23 H ATOM 101 HG11 VAL A 7 -0.696 5.242 -6.857 1.00 41.52 H ATOM 102 HG12 VAL A 7 -2.437 5.060 -6.635 1.00 71.34 H ATOM 103 HG13 VAL A 7 -1.529 6.178 -5.617 1.00 11.12 H ATOM 104 HG21 VAL A 7 0.831 4.041 -5.617 1.00 53.34 H ATOM 105 HG22 VAL A 7 0.260 2.675 -4.660 1.00 64.12 H ATOM 106 HG23 VAL A 7 -0.139 2.778 -6.375 1.00 41.33 H ATOM 107 N TYR A 8 1.155 4.996 -3.073 1.00 21.44 N ATOM 108 CA TYR A 8 2.403 5.732 -2.910 1.00 43.10 C ATOM 109 C TYR A 8 3.544 5.039 -3.649 1.00 21.03 C ATOM 110 O TYR A 8 4.239 4.194 -3.086 1.00 42.14 O ATOM 111 CB TYR A 8 2.750 5.869 -1.427 1.00 24.24 C ATOM 112 CG TYR A 8 3.411 7.183 -1.078 1.00 13.43 C ATOM 113 CD1 TYR A 8 2.815 8.392 -1.414 1.00 54.33 C ATOM 114 CD2 TYR A 8 4.630 7.216 -0.412 1.00 53.55 C ATOM 115 CE1 TYR A 8 3.414 9.596 -1.098 1.00 44.44 C ATOM 116 CE2 TYR A 8 5.236 8.415 -0.091 1.00 60.23 C ATOM 117 CZ TYR A 8 4.624 9.602 -0.436 1.00 2.41 C ATOM 118 OH TYR A 8 5.226 10.799 -0.119 1.00 13.20 O ATOM 119 H TYR A 8 1.114 4.057 -2.794 1.00 1.51 H ATOM 120 HA TYR A 8 2.264 6.717 -3.329 1.00 44.34 H ATOM 121 HB2 TYR A 8 1.846 5.787 -0.844 1.00 4.23 H ATOM 122 HB3 TYR A 8 3.426 5.073 -1.147 1.00 60.11 H ATOM 123 HD1 TYR A 8 1.867 8.385 -1.933 1.00 32.22 H ATOM 124 HD2 TYR A 8 5.106 6.284 -0.144 1.00 25.00 H ATOM 125 HE1 TYR A 8 2.937 10.527 -1.368 1.00 55.01 H ATOM 126 HE2 TYR A 8 6.184 8.419 0.427 1.00 53.43 H ATOM 127 HH TYR A 8 6.046 10.885 -0.610 1.00 22.42 H ATOM 128 N GLU A 9 3.730 5.405 -4.914 1.00 24.40 N ATOM 129 CA GLU A 9 4.787 4.818 -5.730 1.00 40.13 C ATOM 130 C GLU A 9 6.156 5.052 -5.098 1.00 34.21 C ATOM 131 O GLU A 9 7.113 4.333 -5.383 1.00 31.31 O ATOM 132 CB GLU A 9 4.757 5.409 -7.142 1.00 21.52 C ATOM 133 CG GLU A 9 5.311 6.820 -7.223 1.00 41.55 C ATOM 134 CD GLU A 9 4.876 7.547 -8.481 1.00 70.24 C ATOM 135 OE1 GLU A 9 3.654 7.711 -8.678 1.00 4.41 O ATOM 136 OE2 GLU A 9 5.757 7.949 -9.269 1.00 4.34 O ATOM 137 H GLU A 9 3.143 6.084 -5.306 1.00 63.31 H ATOM 138 HA GLU A 9 4.608 3.756 -5.790 1.00 71.03 H ATOM 139 HB2 GLU A 9 5.340 4.776 -7.795 1.00 62.12 H ATOM 140 HB3 GLU A 9 3.735 5.425 -7.491 1.00 24.54 H ATOM 141 HG2 GLU A 9 4.966 7.379 -6.366 1.00 55.52 H ATOM 142 HG3 GLU A 9 6.390 6.772 -7.208 1.00 3.35 H ATOM 143 N ASN A 10 6.240 6.062 -4.239 1.00 61.43 N ATOM 144 CA ASN A 10 7.491 6.392 -3.567 1.00 63.53 C ATOM 145 C ASN A 10 8.023 5.193 -2.788 1.00 23.43 C ATOM 146 O ASN A 10 9.222 5.088 -2.530 1.00 5.10 O ATOM 147 CB ASN A 10 7.291 7.578 -2.622 1.00 52.44 C ATOM 148 CG ASN A 10 7.823 8.874 -3.202 1.00 4.44 C ATOM 149 OD1 ASN A 10 7.059 9.726 -3.656 1.00 35.02 O ATOM 150 ND2 ASN A 10 9.143 9.031 -3.189 1.00 35.41 N ATOM 151 H ASN A 10 5.442 6.599 -4.052 1.00 42.21 H ATOM 152 HA ASN A 10 8.213 6.663 -4.323 1.00 34.10 H ATOM 153 HB2 ASN A 10 6.234 7.701 -2.428 1.00 4.32 H ATOM 154 HB3 ASN A 10 7.803 7.382 -1.693 1.00 40.41 H ATOM 155 HD21 ASN A 10 9.690 8.310 -2.812 1.00 4.45 H ATOM 156 HD22 ASN A 10 9.513 9.860 -3.556 1.00 64.31 H ATOM 157 N TYR A 11 7.123 4.289 -2.417 1.00 52.03 N ATOM 158 CA TYR A 11 7.500 3.097 -1.667 1.00 3.04 C ATOM 159 C TYR A 11 8.252 2.109 -2.554 1.00 0.22 C ATOM 160 O TYR A 11 8.085 2.079 -3.773 1.00 3.44 O ATOM 161 CB TYR A 11 6.259 2.427 -1.076 1.00 32.01 C ATOM 162 CG TYR A 11 5.850 2.986 0.268 1.00 23.04 C ATOM 163 CD1 TYR A 11 6.771 3.104 1.303 1.00 35.43 C ATOM 164 CD2 TYR A 11 4.545 3.398 0.503 1.00 32.12 C ATOM 165 CE1 TYR A 11 6.401 3.613 2.533 1.00 11.02 C ATOM 166 CE2 TYR A 11 4.166 3.910 1.730 1.00 64.04 C ATOM 167 CZ TYR A 11 5.098 4.015 2.741 1.00 24.04 C ATOM 168 OH TYR A 11 4.727 4.524 3.965 1.00 45.32 O ATOM 169 H TYR A 11 6.182 4.427 -2.652 1.00 11.11 H ATOM 170 HA TYR A 11 8.149 3.405 -0.860 1.00 11.13 H ATOM 171 HB2 TYR A 11 5.430 2.557 -1.754 1.00 44.12 H ATOM 172 HB3 TYR A 11 6.453 1.372 -0.951 1.00 61.33 H ATOM 173 HD1 TYR A 11 7.790 2.787 1.137 1.00 43.54 H ATOM 174 HD2 TYR A 11 3.817 3.315 -0.290 1.00 53.23 H ATOM 175 HE1 TYR A 11 7.131 3.695 3.325 1.00 12.04 H ATOM 176 HE2 TYR A 11 3.146 4.225 1.893 1.00 4.33 H ATOM 177 HH TYR A 11 5.076 5.414 4.060 1.00 21.11 H ATOM 178 N PRO A 12 9.100 1.280 -1.927 1.00 53.04 N ATOM 179 CA PRO A 12 9.893 0.274 -2.640 1.00 23.14 C ATOM 180 C PRO A 12 9.035 -0.860 -3.188 1.00 41.14 C ATOM 181 O PRO A 12 8.372 -1.571 -2.433 1.00 52.41 O ATOM 182 CB PRO A 12 10.849 -0.251 -1.563 1.00 53.44 C ATOM 183 CG PRO A 12 10.141 -0.002 -0.276 1.00 4.14 C ATOM 184 CD PRO A 12 9.348 1.259 -0.476 1.00 53.35 C ATOM 185 HA PRO A 12 10.463 0.715 -3.444 1.00 72.34 H ATOM 186 HB2 PRO A 12 11.026 -1.305 -1.721 1.00 3.13 H ATOM 187 HB3 PRO A 12 11.782 0.290 -1.612 1.00 64.52 H ATOM 188 HG2 PRO A 12 9.484 -0.827 -0.053 1.00 32.31 H ATOM 189 HG3 PRO A 12 10.862 0.131 0.518 1.00 13.22 H ATOM 190 HD2 PRO A 12 8.419 1.212 0.074 1.00 50.40 H ATOM 191 HD3 PRO A 12 9.925 2.120 -0.173 1.00 1.54 H ATOM 192 N VAL A 13 9.052 -1.024 -4.507 1.00 24.51 N ATOM 193 CA VAL A 13 8.276 -2.074 -5.157 1.00 1.04 C ATOM 194 C VAL A 13 8.824 -3.454 -4.814 1.00 72.32 C ATOM 195 O VAL A 13 8.153 -4.467 -5.016 1.00 22.42 O ATOM 196 CB VAL A 13 8.270 -1.901 -6.687 1.00 42.04 C ATOM 197 CG1 VAL A 13 7.316 -2.894 -7.333 1.00 72.10 C ATOM 198 CG2 VAL A 13 7.903 -0.473 -7.061 1.00 75.23 C ATOM 199 H VAL A 13 9.601 -0.426 -5.056 1.00 11.03 H ATOM 200 HA VAL A 13 7.258 -2.003 -4.805 1.00 31.14 H ATOM 201 HB VAL A 13 9.266 -2.102 -7.056 1.00 44.12 H ATOM 202 HG11 VAL A 13 7.810 -3.848 -7.445 1.00 54.01 H ATOM 203 HG12 VAL A 13 6.442 -3.011 -6.709 1.00 53.05 H ATOM 204 HG13 VAL A 13 7.019 -2.527 -8.305 1.00 1.42 H ATOM 205 HG21 VAL A 13 7.701 -0.419 -8.120 1.00 71.14 H ATOM 206 HG22 VAL A 13 7.022 -0.174 -6.511 1.00 62.22 H ATOM 207 HG23 VAL A 13 8.722 0.186 -6.816 1.00 54.33 H ATOM 208 N SER A 14 10.046 -3.488 -4.294 1.00 4.23 N ATOM 209 CA SER A 14 10.685 -4.745 -3.924 1.00 64.11 C ATOM 210 C SER A 14 10.018 -5.355 -2.696 1.00 35.11 C ATOM 211 O SER A 14 9.994 -6.575 -2.528 1.00 45.03 O ATOM 212 CB SER A 14 12.175 -4.524 -3.652 1.00 40.11 C ATOM 213 OG SER A 14 12.971 -5.077 -4.687 1.00 53.21 O ATOM 214 H SER A 14 10.530 -2.646 -4.156 1.00 74.21 H ATOM 215 HA SER A 14 10.578 -5.428 -4.754 1.00 43.20 H ATOM 216 HB2 SER A 14 12.372 -3.464 -3.589 1.00 65.45 H ATOM 217 HB3 SER A 14 12.441 -4.997 -2.718 1.00 10.40 H ATOM 218 HG SER A 14 13.326 -4.369 -5.230 1.00 32.33 H ATOM 219 N LYS A 15 9.475 -4.497 -1.838 1.00 72.54 N ATOM 220 CA LYS A 15 8.805 -4.948 -0.625 1.00 32.14 C ATOM 221 C LYS A 15 7.357 -5.333 -0.913 1.00 40.02 C ATOM 222 O LYS A 15 6.684 -5.934 -0.075 1.00 43.23 O ATOM 223 CB LYS A 15 8.849 -3.854 0.444 1.00 3.34 C ATOM 224 CG LYS A 15 10.111 -3.880 1.289 1.00 64.23 C ATOM 225 CD LYS A 15 11.357 -3.709 0.437 1.00 61.41 C ATOM 226 CE LYS A 15 12.559 -3.313 1.280 1.00 20.44 C ATOM 227 NZ LYS A 15 13.103 -4.469 2.048 1.00 75.05 N ATOM 228 H LYS A 15 9.526 -3.536 -2.028 1.00 21.12 H ATOM 229 HA LYS A 15 9.329 -5.818 -0.260 1.00 21.24 H ATOM 230 HB2 LYS A 15 8.786 -2.891 -0.041 1.00 4.54 H ATOM 231 HB3 LYS A 15 8.000 -3.974 1.100 1.00 15.40 H ATOM 232 HG2 LYS A 15 10.067 -3.078 2.010 1.00 45.25 H ATOM 233 HG3 LYS A 15 10.167 -4.828 1.806 1.00 4.35 H ATOM 234 HD2 LYS A 15 11.573 -4.642 -0.062 1.00 62.13 H ATOM 235 HD3 LYS A 15 11.176 -2.939 -0.300 1.00 15.42 H ATOM 236 HE2 LYS A 15 13.330 -2.931 0.629 1.00 51.41 H ATOM 237 HE3 LYS A 15 12.258 -2.541 1.973 1.00 31.52 H ATOM 238 HZ1 LYS A 15 12.402 -4.799 2.741 1.00 55.44 H ATOM 239 HZ2 LYS A 15 13.968 -4.187 2.551 1.00 23.32 H ATOM 240 HZ3 LYS A 15 13.331 -5.251 1.401 1.00 61.32 H ATOM 241 N CYS A 16 6.883 -4.984 -2.105 1.00 71.04 N ATOM 242 CA CYS A 16 5.516 -5.292 -2.505 1.00 74.44 C ATOM 243 C CYS A 16 5.201 -6.767 -2.272 1.00 61.24 C ATOM 244 O CYS A 16 4.106 -7.116 -1.835 1.00 34.24 O ATOM 245 CB CYS A 16 5.302 -4.941 -3.979 1.00 63.10 C ATOM 246 SG CYS A 16 3.733 -5.556 -4.670 1.00 74.41 S ATOM 247 H CYS A 16 7.468 -4.506 -2.732 1.00 1.43 H ATOM 248 HA CYS A 16 4.851 -4.695 -1.902 1.00 35.21 H ATOM 249 HB2 CYS A 16 5.310 -3.866 -4.089 1.00 74.42 H ATOM 250 HB3 CYS A 16 6.107 -5.363 -4.562 1.00 71.14 H ATOM 251 N GLN A 17 6.170 -7.627 -2.568 1.00 72.13 N ATOM 252 CA GLN A 17 5.996 -9.064 -2.392 1.00 10.13 C ATOM 253 C GLN A 17 5.574 -9.390 -0.962 1.00 40.41 C ATOM 254 O GLN A 17 4.797 -10.316 -0.728 1.00 61.34 O ATOM 255 CB GLN A 17 7.291 -9.803 -2.734 1.00 65.02 C ATOM 256 CG GLN A 17 8.442 -9.480 -1.794 1.00 74.35 C ATOM 257 CD GLN A 17 9.767 -9.349 -2.519 1.00 3.12 C ATOM 258 OE1 GLN A 17 9.815 -8.945 -3.681 1.00 52.14 O ATOM 259 NE2 GLN A 17 10.852 -9.690 -1.835 1.00 5.32 N ATOM 260 H GLN A 17 7.022 -7.289 -2.913 1.00 51.44 H ATOM 261 HA GLN A 17 5.218 -9.389 -3.065 1.00 65.33 H ATOM 262 HB2 GLN A 17 7.108 -10.865 -2.692 1.00 72.53 H ATOM 263 HB3 GLN A 17 7.588 -9.536 -3.738 1.00 24.21 H ATOM 264 HG2 GLN A 17 8.230 -8.548 -1.292 1.00 64.22 H ATOM 265 HG3 GLN A 17 8.524 -10.271 -1.063 1.00 45.32 H ATOM 266 HE21 GLN A 17 10.739 -10.004 -0.913 1.00 12.03 H ATOM 267 HE22 GLN A 17 11.723 -9.615 -2.278 1.00 54.21 H ATOM 268 N LEU A 18 6.092 -8.622 -0.009 1.00 72.42 N ATOM 269 CA LEU A 18 5.769 -8.829 1.399 1.00 61.14 C ATOM 270 C LEU A 18 4.350 -8.362 1.706 1.00 23.21 C ATOM 271 O LEU A 18 3.938 -7.280 1.290 1.00 41.22 O ATOM 272 CB LEU A 18 6.767 -8.083 2.286 1.00 10.31 C ATOM 273 CG LEU A 18 8.054 -8.835 2.628 1.00 63.23 C ATOM 274 CD1 LEU A 18 7.795 -9.869 3.712 1.00 20.24 C ATOM 275 CD2 LEU A 18 8.632 -9.496 1.385 1.00 1.43 C ATOM 276 H LEU A 18 6.704 -7.899 -0.257 1.00 25.54 H ATOM 277 HA LEU A 18 5.839 -9.887 1.602 1.00 5.14 H ATOM 278 HB2 LEU A 18 7.042 -7.170 1.779 1.00 24.33 H ATOM 279 HB3 LEU A 18 6.268 -7.841 3.213 1.00 71.21 H ATOM 280 HG LEU A 18 8.784 -8.132 3.004 1.00 62.32 H ATOM 281 HD11 LEU A 18 7.935 -9.416 4.682 1.00 43.41 H ATOM 282 HD12 LEU A 18 8.485 -10.693 3.597 1.00 43.52 H ATOM 283 HD13 LEU A 18 6.782 -10.234 3.628 1.00 63.12 H ATOM 284 HD21 LEU A 18 8.847 -8.741 0.642 1.00 35.43 H ATOM 285 HD22 LEU A 18 7.916 -10.200 0.986 1.00 21.34 H ATOM 286 HD23 LEU A 18 9.542 -10.017 1.644 1.00 3.13 H ATOM 287 N ALA A 19 3.608 -9.185 2.441 1.00 73.14 N ATOM 288 CA ALA A 19 2.236 -8.854 2.807 1.00 1.23 C ATOM 289 C ALA A 19 2.185 -8.144 4.155 1.00 2.44 C ATOM 290 O ALA A 19 1.290 -7.339 4.411 1.00 75.32 O ATOM 291 CB ALA A 19 1.381 -10.112 2.839 1.00 2.40 C ATOM 292 H ALA A 19 3.992 -10.033 2.743 1.00 71.41 H ATOM 293 HA ALA A 19 1.837 -8.196 2.050 1.00 70.04 H ATOM 294 HB1 ALA A 19 0.656 -10.034 3.635 1.00 14.02 H ATOM 295 HB2 ALA A 19 0.868 -10.221 1.894 1.00 4.23 H ATOM 296 HB3 ALA A 19 2.012 -10.972 3.009 1.00 35.31 H ATOM 297 N ASN A 20 3.152 -8.446 5.016 1.00 31.12 N ATOM 298 CA ASN A 20 3.216 -7.836 6.339 1.00 41.11 C ATOM 299 C ASN A 20 4.045 -6.555 6.308 1.00 22.44 C ATOM 300 O ASN A 20 3.991 -5.748 7.236 1.00 60.55 O ATOM 301 CB ASN A 20 3.812 -8.819 7.348 1.00 65.32 C ATOM 302 CG ASN A 20 2.758 -9.698 7.993 1.00 41.13 C ATOM 303 OD1 ASN A 20 1.662 -9.237 8.314 1.00 12.20 O ATOM 304 ND2 ASN A 20 3.085 -10.970 8.186 1.00 21.20 N ATOM 305 H ASN A 20 3.839 -9.094 4.755 1.00 32.42 H ATOM 306 HA ASN A 20 2.209 -7.592 6.641 1.00 72.15 H ATOM 307 HB2 ASN A 20 4.525 -9.456 6.843 1.00 33.32 H ATOM 308 HB3 ASN A 20 4.319 -8.266 8.126 1.00 73.13 H ATOM 309 HD21 ASN A 20 3.977 -11.267 7.905 1.00 35.14 H ATOM 310 HD22 ASN A 20 2.422 -11.560 8.600 1.00 73.33 H ATOM 311 N GLN A 21 4.810 -6.378 5.237 1.00 43.34 N ATOM 312 CA GLN A 21 5.651 -5.196 5.086 1.00 3.45 C ATOM 313 C GLN A 21 4.833 -4.006 4.594 1.00 0.44 C ATOM 314 O GLN A 21 4.985 -2.889 5.089 1.00 12.21 O ATOM 315 CB GLN A 21 6.797 -5.479 4.112 1.00 32.35 C ATOM 316 CG GLN A 21 7.866 -4.399 4.102 1.00 21.40 C ATOM 317 CD GLN A 21 8.914 -4.606 5.178 1.00 40.21 C ATOM 318 OE1 GLN A 21 9.637 -5.603 5.175 1.00 15.13 O ATOM 319 NE2 GLN A 21 9.003 -3.661 6.107 1.00 52.13 N ATOM 320 H GLN A 21 4.811 -7.058 4.532 1.00 53.23 H ATOM 321 HA GLN A 21 6.064 -4.957 6.054 1.00 74.52 H ATOM 322 HB2 GLN A 21 7.262 -6.415 4.385 1.00 33.24 H ATOM 323 HB3 GLN A 21 6.393 -5.565 3.115 1.00 54.30 H ATOM 324 HG2 GLN A 21 8.356 -4.405 3.139 1.00 32.31 H ATOM 325 HG3 GLN A 21 7.394 -3.441 4.258 1.00 74.52 H ATOM 326 HE21 GLN A 21 8.394 -2.895 6.047 1.00 74.04 H ATOM 327 HE22 GLN A 21 9.670 -3.768 6.814 1.00 25.45 H ATOM 328 N CYS A 22 3.966 -4.253 3.619 1.00 74.24 N ATOM 329 CA CYS A 22 3.124 -3.202 3.060 1.00 71.42 C ATOM 330 C CYS A 22 2.167 -2.653 4.114 1.00 41.13 C ATOM 331 O CYS A 22 2.233 -1.479 4.474 1.00 14.11 O ATOM 332 CB CYS A 22 2.332 -3.737 1.865 1.00 33.31 C ATOM 333 SG CYS A 22 2.800 -2.995 0.269 1.00 3.32 S ATOM 334 H CYS A 22 3.890 -5.165 3.266 1.00 52.32 H ATOM 335 HA CYS A 22 3.768 -2.404 2.725 1.00 62.31 H ATOM 336 HB2 CYS A 22 2.486 -4.804 1.788 1.00 1.22 H ATOM 337 HB3 CYS A 22 1.281 -3.542 2.022 1.00 12.24 H ATOM 338 N ASN A 23 1.279 -3.512 4.604 1.00 45.31 N ATOM 339 CA ASN A 23 0.309 -3.112 5.617 1.00 72.12 C ATOM 340 C ASN A 23 1.002 -2.446 6.801 1.00 55.42 C ATOM 341 O ASN A 23 0.430 -1.574 7.457 1.00 21.14 O ATOM 342 CB ASN A 23 -0.489 -4.328 6.096 1.00 40.35 C ATOM 343 CG ASN A 23 0.194 -5.052 7.239 1.00 75.31 C ATOM 344 OD1 ASN A 23 1.339 -5.485 7.120 1.00 42.35 O ATOM 345 ND2 ASN A 23 -0.511 -5.190 8.357 1.00 53.32 N ATOM 346 H ASN A 23 1.276 -4.436 4.277 1.00 51.43 H ATOM 347 HA ASN A 23 -0.369 -2.403 5.165 1.00 64.21 H ATOM 348 HB2 ASN A 23 -1.463 -4.002 6.431 1.00 4.34 H ATOM 349 HB3 ASN A 23 -0.609 -5.019 5.275 1.00 25.11 H ATOM 350 HD21 ASN A 23 -1.419 -4.820 8.380 1.00 31.03 H ATOM 351 HD22 ASN A 23 -0.094 -5.653 9.112 1.00 32.10 H ATOM 352 N TYR A 24 2.234 -2.862 7.069 1.00 53.44 N ATOM 353 CA TYR A 24 3.005 -2.306 8.175 1.00 34.03 C ATOM 354 C TYR A 24 3.392 -0.857 7.896 1.00 13.11 C ATOM 355 O TYR A 24 3.179 0.025 8.729 1.00 24.11 O ATOM 356 CB TYR A 24 4.261 -3.144 8.420 1.00 51.33 C ATOM 357 CG TYR A 24 5.237 -2.504 9.381 1.00 30.21 C ATOM 358 CD1 TYR A 24 5.010 -2.529 10.752 1.00 62.33 C ATOM 359 CD2 TYR A 24 6.386 -1.874 8.920 1.00 63.35 C ATOM 360 CE1 TYR A 24 5.899 -1.946 11.634 1.00 1.31 C ATOM 361 CE2 TYR A 24 7.281 -1.289 9.794 1.00 65.43 C ATOM 362 CZ TYR A 24 7.033 -1.327 11.150 1.00 13.24 C ATOM 363 OH TYR A 24 7.921 -0.746 12.025 1.00 3.43 O ATOM 364 H TYR A 24 2.636 -3.559 6.510 1.00 35.00 H ATOM 365 HA TYR A 24 2.385 -2.338 9.059 1.00 2.02 H ATOM 366 HB2 TYR A 24 3.975 -4.100 8.827 1.00 74.12 H ATOM 367 HB3 TYR A 24 4.772 -3.296 7.481 1.00 11.10 H ATOM 368 HD1 TYR A 24 4.121 -3.015 11.128 1.00 64.43 H ATOM 369 HD2 TYR A 24 6.577 -1.846 7.856 1.00 65.21 H ATOM 370 HE1 TYR A 24 5.706 -1.976 12.696 1.00 53.31 H ATOM 371 HE2 TYR A 24 8.169 -0.804 9.416 1.00 61.30 H ATOM 372 HH TYR A 24 8.806 -0.783 11.655 1.00 4.32 H ATOM 373 N ASP A 25 3.960 -0.619 6.719 1.00 13.13 N ATOM 374 CA ASP A 25 4.376 0.723 6.328 1.00 55.00 C ATOM 375 C ASP A 25 3.167 1.636 6.151 1.00 75.23 C ATOM 376 O ASP A 25 3.256 2.848 6.351 1.00 35.21 O ATOM 377 CB ASP A 25 5.185 0.671 5.031 1.00 24.44 C ATOM 378 CG ASP A 25 6.546 0.031 5.225 1.00 61.33 C ATOM 379 OD1 ASP A 25 7.161 0.253 6.289 1.00 43.33 O ATOM 380 OD2 ASP A 25 6.994 -0.695 4.312 1.00 4.13 O ATOM 381 H ASP A 25 4.102 -1.364 6.098 1.00 11.01 H ATOM 382 HA ASP A 25 4.998 1.120 7.115 1.00 23.10 H ATOM 383 HB2 ASP A 25 4.639 0.097 4.297 1.00 42.43 H ATOM 384 HB3 ASP A 25 5.329 1.676 4.665 1.00 52.20 H ATOM 385 N CYS A 26 2.036 1.047 5.773 1.00 22.23 N ATOM 386 CA CYS A 26 0.809 1.807 5.568 1.00 62.42 C ATOM 387 C CYS A 26 0.143 2.136 6.900 1.00 21.43 C ATOM 388 O CYS A 26 -0.145 3.296 7.195 1.00 74.45 O ATOM 389 CB CYS A 26 -0.158 1.021 4.680 1.00 12.01 C ATOM 390 SG CYS A 26 0.278 1.033 2.912 1.00 63.33 S ATOM 391 H CYS A 26 2.027 0.077 5.630 1.00 43.25 H ATOM 392 HA CYS A 26 1.070 2.730 5.073 1.00 71.05 H ATOM 393 HB2 CYS A 26 -0.178 -0.009 5.007 1.00 54.23 H ATOM 394 HB3 CYS A 26 -1.148 1.444 4.778 1.00 2.03 H ATOM 395 N LYS A 27 -0.101 1.105 7.703 1.00 3.03 N ATOM 396 CA LYS A 27 -0.732 1.282 9.006 1.00 1.54 C ATOM 397 C LYS A 27 0.187 2.043 9.956 1.00 11.45 C ATOM 398 O LYS A 27 -0.234 2.471 11.033 1.00 3.31 O ATOM 399 CB LYS A 27 -1.094 -0.077 9.609 1.00 72.41 C ATOM 400 CG LYS A 27 -2.044 -0.891 8.748 1.00 10.24 C ATOM 401 CD LYS A 27 -1.892 -2.381 9.004 1.00 11.32 C ATOM 402 CE LYS A 27 -2.673 -2.817 10.235 1.00 73.22 C ATOM 403 NZ LYS A 27 -2.053 -3.999 10.894 1.00 30.42 N ATOM 404 H LYS A 27 0.152 0.203 7.413 1.00 14.30 H ATOM 405 HA LYS A 27 -1.635 1.855 8.862 1.00 2.01 H ATOM 406 HB2 LYS A 27 -0.188 -0.649 9.748 1.00 73.15 H ATOM 407 HB3 LYS A 27 -1.560 0.082 10.572 1.00 64.25 H ATOM 408 HG2 LYS A 27 -3.059 -0.600 8.975 1.00 51.44 H ATOM 409 HG3 LYS A 27 -1.834 -0.690 7.707 1.00 74.11 H ATOM 410 HD2 LYS A 27 -2.260 -2.924 8.147 1.00 55.31 H ATOM 411 HD3 LYS A 27 -0.846 -2.607 9.154 1.00 42.35 H ATOM 412 HE2 LYS A 27 -2.702 -1.997 10.936 1.00 21.42 H ATOM 413 HE3 LYS A 27 -3.680 -3.070 9.935 1.00 4.42 H ATOM 414 HZ1 LYS A 27 -2.140 -4.837 10.284 1.00 55.31 H ATOM 415 HZ2 LYS A 27 -2.527 -4.192 11.800 1.00 42.31 H ATOM 416 HZ3 LYS A 27 -1.044 -3.820 11.076 1.00 54.33 H ATOM 417 N LEU A 28 1.441 2.211 9.553 1.00 10.12 N ATOM 418 CA LEU A 28 2.419 2.922 10.369 1.00 52.52 C ATOM 419 C LEU A 28 2.239 4.432 10.241 1.00 73.22 C ATOM 420 O LEU A 28 1.942 5.116 11.220 1.00 12.34 O ATOM 421 CB LEU A 28 3.838 2.530 9.956 1.00 45.01 C ATOM 422 CG LEU A 28 4.963 3.416 10.494 1.00 61.05 C ATOM 423 CD1 LEU A 28 4.899 3.500 12.011 1.00 55.45 C ATOM 424 CD2 LEU A 28 6.318 2.890 10.043 1.00 3.14 C ATOM 425 H LEU A 28 1.717 1.848 8.686 1.00 10.00 H ATOM 426 HA LEU A 28 2.260 2.639 11.398 1.00 25.13 H ATOM 427 HB2 LEU A 28 4.017 1.524 10.302 1.00 30.30 H ATOM 428 HB3 LEU A 28 3.886 2.551 8.877 1.00 45.34 H ATOM 429 HG LEU A 28 4.844 4.417 10.099 1.00 74.32 H ATOM 430 HD11 LEU A 28 4.385 4.404 12.299 1.00 2.31 H ATOM 431 HD12 LEU A 28 5.901 3.510 12.413 1.00 53.42 H ATOM 432 HD13 LEU A 28 4.365 2.643 12.396 1.00 53.13 H ATOM 433 HD21 LEU A 28 6.999 3.718 9.909 1.00 75.14 H ATOM 434 HD22 LEU A 28 6.206 2.359 9.109 1.00 54.50 H ATOM 435 HD23 LEU A 28 6.711 2.218 10.793 1.00 15.34 H ATOM 436 N ASP A 29 2.419 4.944 9.028 1.00 22.31 N ATOM 437 CA ASP A 29 2.273 6.372 8.771 1.00 20.21 C ATOM 438 C ASP A 29 0.865 6.695 8.283 1.00 74.21 C ATOM 439 O ASP A 29 0.195 7.575 8.824 1.00 45.22 O ATOM 440 CB ASP A 29 3.303 6.833 7.739 1.00 53.33 C ATOM 441 CG ASP A 29 4.550 7.408 8.382 1.00 33.05 C ATOM 442 OD1 ASP A 29 4.819 7.076 9.555 1.00 14.00 O ATOM 443 OD2 ASP A 29 5.257 8.190 7.712 1.00 20.00 O ATOM 444 H ASP A 29 2.655 4.346 8.288 1.00 54.41 H ATOM 445 HA ASP A 29 2.448 6.894 9.700 1.00 51.43 H ATOM 446 HB2 ASP A 29 3.592 5.992 7.126 1.00 11.02 H ATOM 447 HB3 ASP A 29 2.859 7.594 7.113 1.00 64.33 H ATOM 448 N LYS A 30 0.421 5.978 7.256 1.00 61.33 N ATOM 449 CA LYS A 30 -0.908 6.187 6.693 1.00 10.33 C ATOM 450 C LYS A 30 -1.988 5.690 7.649 1.00 42.40 C ATOM 451 O LYS A 30 -3.177 5.928 7.436 1.00 61.43 O ATOM 452 CB LYS A 30 -1.034 5.470 5.348 1.00 65.02 C ATOM 453 CG LYS A 30 0.177 5.648 4.448 1.00 1.53 C ATOM 454 CD LYS A 30 0.505 7.118 4.241 1.00 64.22 C ATOM 455 CE LYS A 30 -0.647 7.859 3.579 1.00 22.45 C ATOM 456 NZ LYS A 30 -0.304 9.280 3.298 1.00 25.22 N ATOM 457 H LYS A 30 1.001 5.291 6.867 1.00 24.43 H ATOM 458 HA LYS A 30 -1.040 7.248 6.540 1.00 22.42 H ATOM 459 HB2 LYS A 30 -1.169 4.414 5.527 1.00 24.13 H ATOM 460 HB3 LYS A 30 -1.900 5.852 4.829 1.00 14.23 H ATOM 461 HG2 LYS A 30 1.027 5.162 4.902 1.00 3.25 H ATOM 462 HG3 LYS A 30 -0.029 5.196 3.489 1.00 50.13 H ATOM 463 HD2 LYS A 30 0.707 7.572 5.200 1.00 61.55 H ATOM 464 HD3 LYS A 30 1.381 7.196 3.611 1.00 0.43 H ATOM 465 HE2 LYS A 30 -0.889 7.366 2.651 1.00 64.52 H ATOM 466 HE3 LYS A 30 -1.502 7.827 4.238 1.00 73.35 H ATOM 467 HZ1 LYS A 30 -0.698 9.569 2.380 1.00 33.05 H ATOM 468 HZ2 LYS A 30 0.729 9.399 3.272 1.00 45.22 H ATOM 469 HZ3 LYS A 30 -0.693 9.895 4.040 1.00 43.41 H ATOM 470 N HIS A 31 -1.566 4.999 8.704 1.00 0.41 N ATOM 471 CA HIS A 31 -2.498 4.471 9.693 1.00 30.22 C ATOM 472 C HIS A 31 -3.620 3.687 9.019 1.00 13.33 C ATOM 473 O HIS A 31 -4.733 3.608 9.538 1.00 24.44 O ATOM 474 CB HIS A 31 -3.084 5.607 10.531 1.00 32.33 C ATOM 475 CG HIS A 31 -3.490 5.187 11.911 1.00 74.34 C ATOM 476 ND1 HIS A 31 -4.438 5.858 12.653 1.00 74.30 N ATOM 477 CD2 HIS A 31 -3.071 4.155 12.681 1.00 41.52 C ATOM 478 CE1 HIS A 31 -4.584 5.259 13.822 1.00 62.13 C ATOM 479 NE2 HIS A 31 -3.766 4.222 13.863 1.00 40.50 N ATOM 480 H HIS A 31 -0.606 4.842 8.819 1.00 43.41 H ATOM 481 HA HIS A 31 -1.950 3.803 10.342 1.00 65.02 H ATOM 482 HB2 HIS A 31 -2.348 6.391 10.627 1.00 54.22 H ATOM 483 HB3 HIS A 31 -3.959 6.000 10.033 1.00 71.55 H ATOM 484 HD1 HIS A 31 -4.930 6.656 12.367 1.00 31.44 H ATOM 485 HD2 HIS A 31 -2.328 3.416 12.415 1.00 11.34 H ATOM 486 HE1 HIS A 31 -5.257 5.563 14.609 1.00 22.00 H ATOM 487 N ALA A 32 -3.320 3.113 7.859 1.00 75.23 N ATOM 488 CA ALA A 32 -4.303 2.336 7.115 1.00 74.12 C ATOM 489 C ALA A 32 -4.792 1.143 7.930 1.00 53.34 C ATOM 490 O ALA A 32 -4.587 1.082 9.143 1.00 51.25 O ATOM 491 CB ALA A 32 -3.714 1.868 5.792 1.00 73.31 C ATOM 492 H ALA A 32 -2.415 3.213 7.497 1.00 73.23 H ATOM 493 HA ALA A 32 -5.143 2.980 6.898 1.00 71.31 H ATOM 494 HB1 ALA A 32 -4.392 2.115 4.989 1.00 44.34 H ATOM 495 HB2 ALA A 32 -2.766 2.357 5.628 1.00 11.53 H ATOM 496 HB3 ALA A 32 -3.567 0.799 5.822 1.00 21.52 H ATOM 497 N ARG A 33 -5.441 0.198 7.257 1.00 3.44 N ATOM 498 CA ARG A 33 -5.961 -0.991 7.920 1.00 23.24 C ATOM 499 C ARG A 33 -5.583 -2.252 7.149 1.00 61.01 C ATOM 500 O ARG A 33 -5.233 -3.273 7.741 1.00 11.32 O ATOM 501 CB ARG A 33 -7.482 -0.901 8.057 1.00 10.13 C ATOM 502 CG ARG A 33 -7.962 0.408 8.662 1.00 23.11 C ATOM 503 CD ARG A 33 -9.305 0.241 9.357 1.00 4.10 C ATOM 504 NE ARG A 33 -9.703 1.449 10.074 1.00 3.23 N ATOM 505 CZ ARG A 33 -9.167 1.830 11.229 1.00 34.33 C ATOM 506 NH1 ARG A 33 -8.216 1.099 11.794 1.00 33.43 N ATOM 507 NH2 ARG A 33 -9.583 2.942 11.821 1.00 21.13 N ATOM 508 H ARG A 33 -5.574 0.304 6.292 1.00 1.40 H ATOM 509 HA ARG A 33 -5.522 -1.041 8.905 1.00 52.21 H ATOM 510 HB2 ARG A 33 -7.927 -1.004 7.079 1.00 62.43 H ATOM 511 HB3 ARG A 33 -7.823 -1.710 8.686 1.00 11.23 H ATOM 512 HG2 ARG A 33 -7.235 0.749 9.384 1.00 14.14 H ATOM 513 HG3 ARG A 33 -8.062 1.141 7.875 1.00 15.35 H ATOM 514 HD2 ARG A 33 -10.054 0.011 8.615 1.00 42.45 H ATOM 515 HD3 ARG A 33 -9.232 -0.575 10.060 1.00 61.14 H ATOM 516 HE ARG A 33 -10.405 2.004 9.675 1.00 40.01 H ATOM 517 HH11 ARG A 33 -7.900 0.261 11.351 1.00 62.33 H ATOM 518 HH12 ARG A 33 -7.813 1.388 12.663 1.00 14.11 H ATOM 519 HH21 ARG A 33 -10.300 3.495 11.398 1.00 42.23 H ATOM 520 HH22 ARG A 33 -9.180 3.226 12.690 1.00 11.31 H ATOM 521 N SER A 34 -5.656 -2.174 5.824 1.00 34.35 N ATOM 522 CA SER A 34 -5.326 -3.310 4.971 1.00 10.02 C ATOM 523 C SER A 34 -4.310 -2.912 3.906 1.00 3.00 C ATOM 524 O SER A 34 -4.400 -3.339 2.755 1.00 23.22 O ATOM 525 CB SER A 34 -6.590 -3.861 4.307 1.00 11.33 C ATOM 526 OG SER A 34 -6.351 -5.134 3.734 1.00 24.52 O ATOM 527 H SER A 34 -5.942 -1.333 5.411 1.00 41.31 H ATOM 528 HA SER A 34 -4.894 -4.078 5.595 1.00 33.44 H ATOM 529 HB2 SER A 34 -7.371 -3.953 5.047 1.00 63.43 H ATOM 530 HB3 SER A 34 -6.908 -3.182 3.529 1.00 12.23 H ATOM 531 HG SER A 34 -6.003 -5.025 2.846 1.00 62.44 H ATOM 532 N GLY A 35 -3.341 -2.090 4.299 1.00 74.15 N ATOM 533 CA GLY A 35 -2.321 -1.648 3.365 1.00 2.13 C ATOM 534 C GLY A 35 -1.707 -2.796 2.589 1.00 1.15 C ATOM 535 O GLY A 35 -1.113 -3.701 3.175 1.00 52.03 O ATOM 536 H GLY A 35 -3.319 -1.782 5.228 1.00 12.23 H ATOM 537 HA2 GLY A 35 -2.763 -0.951 2.669 1.00 14.13 H ATOM 538 HA3 GLY A 35 -1.540 -1.143 3.917 1.00 71.41 H ATOM 539 N GLU A 36 -1.852 -2.760 1.268 1.00 13.33 N ATOM 540 CA GLU A 36 -1.309 -3.807 0.412 1.00 35.34 C ATOM 541 C GLU A 36 -0.993 -3.265 -0.978 1.00 42.41 C ATOM 542 O GLU A 36 -1.458 -2.189 -1.358 1.00 52.23 O ATOM 543 CB GLU A 36 -2.297 -4.971 0.303 1.00 34.14 C ATOM 544 CG GLU A 36 -1.627 -6.329 0.176 1.00 42.11 C ATOM 545 CD GLU A 36 -0.673 -6.619 1.319 1.00 60.25 C ATOM 546 OE1 GLU A 36 -1.150 -7.026 2.399 1.00 12.31 O ATOM 547 OE2 GLU A 36 0.548 -6.439 1.133 1.00 63.10 O ATOM 548 H GLU A 36 -2.337 -2.011 0.860 1.00 22.42 H ATOM 549 HA GLU A 36 -0.396 -4.164 0.863 1.00 52.30 H ATOM 550 HB2 GLU A 36 -2.921 -4.982 1.186 1.00 63.22 H ATOM 551 HB3 GLU A 36 -2.921 -4.819 -0.565 1.00 14.22 H ATOM 552 HG2 GLU A 36 -2.389 -7.093 0.162 1.00 73.35 H ATOM 553 HG3 GLU A 36 -1.073 -6.357 -0.751 1.00 44.03 H ATOM 554 N CYS A 37 -0.198 -4.015 -1.734 1.00 30.10 N ATOM 555 CA CYS A 37 0.183 -3.610 -3.081 1.00 61.34 C ATOM 556 C CYS A 37 -0.604 -4.394 -4.128 1.00 23.03 C ATOM 557 O CYS A 37 -1.038 -5.520 -3.880 1.00 23.02 O ATOM 558 CB CYS A 37 1.684 -3.819 -3.294 1.00 74.04 C ATOM 559 SG CYS A 37 2.161 -5.556 -3.567 1.00 31.22 S ATOM 560 H CYS A 37 0.142 -4.863 -1.376 1.00 33.13 H ATOM 561 HA CYS A 37 -0.044 -2.561 -3.189 1.00 51.22 H ATOM 562 HB2 CYS A 37 1.999 -3.252 -4.158 1.00 60.50 H ATOM 563 HB3 CYS A 37 2.216 -3.464 -2.424 1.00 12.22 H ATOM 564 N PHE A 38 -0.785 -3.791 -5.298 1.00 10.30 N ATOM 565 CA PHE A 38 -1.520 -4.431 -6.382 1.00 71.13 C ATOM 566 C PHE A 38 -1.304 -3.690 -7.698 1.00 12.32 C ATOM 567 O PHE A 38 -0.970 -2.505 -7.708 1.00 10.40 O ATOM 568 CB PHE A 38 -3.014 -4.484 -6.053 1.00 64.21 C ATOM 569 CG PHE A 38 -3.455 -5.802 -5.482 1.00 4.34 C ATOM 570 CD1 PHE A 38 -3.233 -6.981 -6.174 1.00 4.25 C ATOM 571 CD2 PHE A 38 -4.091 -5.860 -4.252 1.00 74.34 C ATOM 572 CE1 PHE A 38 -3.638 -8.195 -5.650 1.00 13.44 C ATOM 573 CE2 PHE A 38 -4.500 -7.070 -3.723 1.00 61.32 C ATOM 574 CZ PHE A 38 -4.272 -8.239 -4.423 1.00 5.41 C ATOM 575 H PHE A 38 -0.415 -2.894 -5.436 1.00 13.24 H ATOM 576 HA PHE A 38 -1.147 -5.439 -6.485 1.00 11.31 H ATOM 577 HB2 PHE A 38 -3.243 -3.716 -5.329 1.00 73.22 H ATOM 578 HB3 PHE A 38 -3.580 -4.305 -6.954 1.00 60.13 H ATOM 579 HD1 PHE A 38 -2.737 -6.948 -7.132 1.00 41.44 H ATOM 580 HD2 PHE A 38 -4.270 -4.946 -3.704 1.00 54.41 H ATOM 581 HE1 PHE A 38 -3.459 -9.106 -6.198 1.00 73.42 H ATOM 582 HE2 PHE A 38 -4.994 -7.101 -2.764 1.00 34.51 H ATOM 583 HZ PHE A 38 -4.590 -9.185 -4.012 1.00 73.52 H ATOM 584 N TYR A 39 -1.497 -4.396 -8.807 1.00 0.20 N ATOM 585 CA TYR A 39 -1.321 -3.806 -10.129 1.00 31.04 C ATOM 586 C TYR A 39 -2.250 -2.611 -10.320 1.00 30.32 C ATOM 587 O TYR A 39 -3.396 -2.623 -9.872 1.00 13.34 O ATOM 588 CB TYR A 39 -1.585 -4.850 -11.214 1.00 70.35 C ATOM 589 CG TYR A 39 -2.927 -5.535 -11.084 1.00 22.54 C ATOM 590 CD1 TYR A 39 -4.082 -4.945 -11.581 1.00 11.11 C ATOM 591 CD2 TYR A 39 -3.038 -6.773 -10.463 1.00 30.14 C ATOM 592 CE1 TYR A 39 -5.309 -5.567 -11.462 1.00 15.22 C ATOM 593 CE2 TYR A 39 -4.262 -7.403 -10.340 1.00 50.04 C ATOM 594 CZ TYR A 39 -5.395 -6.796 -10.842 1.00 22.13 C ATOM 595 OH TYR A 39 -6.615 -7.419 -10.723 1.00 34.55 O ATOM 596 H TYR A 39 -1.763 -5.336 -8.735 1.00 3.33 H ATOM 597 HA TYR A 39 -0.298 -3.470 -10.208 1.00 14.32 H ATOM 598 HB2 TYR A 39 -1.551 -4.371 -12.181 1.00 55.04 H ATOM 599 HB3 TYR A 39 -0.819 -5.610 -11.168 1.00 64.21 H ATOM 600 HD1 TYR A 39 -4.012 -3.983 -12.067 1.00 4.23 H ATOM 601 HD2 TYR A 39 -2.150 -7.246 -10.071 1.00 1.12 H ATOM 602 HE1 TYR A 39 -6.197 -5.092 -11.855 1.00 24.11 H ATOM 603 HE2 TYR A 39 -4.329 -8.366 -9.854 1.00 45.25 H ATOM 604 HH TYR A 39 -7.117 -7.009 -10.015 1.00 11.42 H ATOM 605 N ASP A 40 -1.746 -1.580 -10.990 1.00 65.21 N ATOM 606 CA ASP A 40 -2.529 -0.377 -11.244 1.00 71.15 C ATOM 607 C ASP A 40 -2.968 -0.312 -12.703 1.00 41.55 C ATOM 608 O ASP A 40 -2.708 -1.230 -13.480 1.00 52.13 O ATOM 609 CB ASP A 40 -1.718 0.870 -10.886 1.00 41.13 C ATOM 610 CG ASP A 40 -0.319 0.838 -11.471 1.00 73.15 C ATOM 611 OD1 ASP A 40 -0.197 0.774 -12.712 1.00 73.23 O ATOM 612 OD2 ASP A 40 0.652 0.877 -10.688 1.00 30.34 O ATOM 613 H ASP A 40 -0.825 -1.631 -11.323 1.00 11.14 H ATOM 614 HA ASP A 40 -3.407 -0.415 -10.619 1.00 34.03 H ATOM 615 HB2 ASP A 40 -2.227 1.743 -11.266 1.00 43.44 H ATOM 616 HB3 ASP A 40 -1.638 0.943 -9.812 1.00 31.14 H ATOM 617 N GLU A 41 -3.634 0.779 -13.068 1.00 11.22 N ATOM 618 CA GLU A 41 -4.111 0.962 -14.434 1.00 4.31 C ATOM 619 C GLU A 41 -2.941 1.068 -15.408 1.00 23.00 C ATOM 620 O GLU A 41 -3.099 0.860 -16.612 1.00 13.41 O ATOM 621 CB GLU A 41 -4.984 2.215 -14.530 1.00 32.44 C ATOM 622 CG GLU A 41 -4.201 3.512 -14.419 1.00 14.22 C ATOM 623 CD GLU A 41 -5.098 4.734 -14.386 1.00 35.43 C ATOM 624 OE1 GLU A 41 -5.650 5.095 -15.446 1.00 2.31 O ATOM 625 OE2 GLU A 41 -5.249 5.329 -13.298 1.00 0.24 O ATOM 626 H GLU A 41 -3.810 1.476 -12.403 1.00 12.24 H ATOM 627 HA GLU A 41 -4.705 0.099 -14.696 1.00 44.20 H ATOM 628 HB2 GLU A 41 -5.498 2.209 -15.480 1.00 74.51 H ATOM 629 HB3 GLU A 41 -5.715 2.191 -13.735 1.00 32.03 H ATOM 630 HG2 GLU A 41 -3.617 3.489 -13.511 1.00 33.33 H ATOM 631 HG3 GLU A 41 -3.540 3.592 -15.268 1.00 44.54 H ATOM 632 N LYS A 42 -1.766 1.393 -14.881 1.00 12.15 N ATOM 633 CA LYS A 42 -0.568 1.527 -15.700 1.00 71.04 C ATOM 634 C LYS A 42 0.225 0.225 -15.720 1.00 72.32 C ATOM 635 O LYS A 42 1.421 0.220 -16.016 1.00 73.13 O ATOM 636 CB LYS A 42 0.310 2.664 -15.175 1.00 60.33 C ATOM 637 CG LYS A 42 -0.447 3.958 -14.938 1.00 12.33 C ATOM 638 CD LYS A 42 0.498 5.139 -14.789 1.00 70.01 C ATOM 639 CE LYS A 42 0.963 5.654 -16.142 1.00 53.24 C ATOM 640 NZ LYS A 42 1.920 6.787 -16.006 1.00 54.23 N ATOM 641 H LYS A 42 -1.704 1.547 -13.913 1.00 64.34 H ATOM 642 HA LYS A 42 -0.880 1.761 -16.707 1.00 34.50 H ATOM 643 HB2 LYS A 42 0.757 2.356 -14.241 1.00 10.15 H ATOM 644 HB3 LYS A 42 1.095 2.857 -15.892 1.00 2.41 H ATOM 645 HG2 LYS A 42 -1.103 4.140 -15.776 1.00 14.24 H ATOM 646 HG3 LYS A 42 -1.033 3.862 -14.035 1.00 22.45 H ATOM 647 HD2 LYS A 42 -0.014 5.937 -14.271 1.00 21.44 H ATOM 648 HD3 LYS A 42 1.360 4.829 -14.216 1.00 21.43 H ATOM 649 HE2 LYS A 42 1.446 4.848 -16.673 1.00 1.30 H ATOM 650 HE3 LYS A 42 0.101 5.988 -16.702 1.00 20.41 H ATOM 651 HZ1 LYS A 42 2.389 6.749 -15.079 1.00 64.42 H ATOM 652 HZ2 LYS A 42 1.415 7.693 -16.090 1.00 61.14 H ATOM 653 HZ3 LYS A 42 2.643 6.736 -16.752 1.00 20.33 H ATOM 654 N ARG A 43 -0.447 -0.877 -15.406 1.00 34.32 N ATOM 655 CA ARG A 43 0.196 -2.186 -15.388 1.00 4.31 C ATOM 656 C ARG A 43 1.439 -2.170 -14.502 1.00 54.43 C ATOM 657 O ARG A 43 2.375 -2.938 -14.716 1.00 65.21 O ATOM 658 CB ARG A 43 0.575 -2.611 -16.808 1.00 35.31 C ATOM 659 CG ARG A 43 -0.607 -3.091 -17.636 1.00 3.22 C ATOM 660 CD ARG A 43 -1.260 -1.944 -18.391 1.00 61.03 C ATOM 661 NE ARG A 43 -0.357 -1.352 -19.374 1.00 23.20 N ATOM 662 CZ ARG A 43 -0.681 -0.317 -20.141 1.00 14.01 C ATOM 663 NH1 ARG A 43 -1.881 0.237 -20.038 1.00 53.33 N ATOM 664 NH2 ARG A 43 0.195 0.165 -21.013 1.00 2.34 N ATOM 665 H ARG A 43 -1.398 -0.810 -15.179 1.00 24.13 H ATOM 666 HA ARG A 43 -0.509 -2.897 -14.985 1.00 35.03 H ATOM 667 HB2 ARG A 43 1.024 -1.770 -17.315 1.00 54.04 H ATOM 668 HB3 ARG A 43 1.295 -3.412 -16.751 1.00 25.32 H ATOM 669 HG2 ARG A 43 -0.260 -3.826 -18.347 1.00 54.25 H ATOM 670 HG3 ARG A 43 -1.336 -3.539 -16.978 1.00 74.01 H ATOM 671 HD2 ARG A 43 -2.135 -2.319 -18.900 1.00 54.13 H ATOM 672 HD3 ARG A 43 -1.553 -1.185 -17.682 1.00 73.24 H ATOM 673 HE ARG A 43 0.536 -1.747 -19.467 1.00 13.53 H ATOM 674 HH11 ARG A 43 -2.544 -0.124 -19.383 1.00 21.34 H ATOM 675 HH12 ARG A 43 -2.123 1.017 -20.617 1.00 33.20 H ATOM 676 HH21 ARG A 43 1.100 -0.250 -21.093 1.00 5.21 H ATOM 677 HH22 ARG A 43 -0.050 0.944 -21.589 1.00 54.31 H ATOM 678 N ASN A 44 1.438 -1.287 -13.508 1.00 61.25 N ATOM 679 CA ASN A 44 2.566 -1.169 -12.590 1.00 64.35 C ATOM 680 C ASN A 44 2.193 -1.677 -11.202 1.00 13.03 C ATOM 681 O ASN A 44 1.018 -1.691 -10.829 1.00 21.33 O ATOM 682 CB ASN A 44 3.032 0.285 -12.506 1.00 53.52 C ATOM 683 CG ASN A 44 4.030 0.637 -13.591 1.00 43.43 C ATOM 684 OD1 ASN A 44 4.364 -0.193 -14.436 1.00 53.33 O ATOM 685 ND2 ASN A 44 4.513 1.874 -13.572 1.00 44.30 N ATOM 686 H ASN A 44 0.662 -0.701 -13.389 1.00 30.30 H ATOM 687 HA ASN A 44 3.372 -1.774 -12.978 1.00 2.03 H ATOM 688 HB2 ASN A 44 2.176 0.938 -12.606 1.00 72.42 H ATOM 689 HB3 ASN A 44 3.495 0.453 -11.546 1.00 43.33 H ATOM 690 HD21 ASN A 44 4.203 2.482 -12.868 1.00 53.41 H ATOM 691 HD22 ASN A 44 5.160 2.129 -14.263 1.00 11.03 H ATOM 692 N LEU A 45 3.198 -2.094 -10.440 1.00 2.22 N ATOM 693 CA LEU A 45 2.976 -2.602 -9.091 1.00 53.21 C ATOM 694 C LEU A 45 3.359 -1.559 -8.046 1.00 70.40 C ATOM 695 O LEU A 45 4.501 -1.104 -7.999 1.00 70.25 O ATOM 696 CB LEU A 45 3.782 -3.883 -8.868 1.00 22.22 C ATOM 697 CG LEU A 45 3.868 -4.837 -10.060 1.00 31.35 C ATOM 698 CD1 LEU A 45 4.637 -6.094 -9.682 1.00 64.24 C ATOM 699 CD2 LEU A 45 2.475 -5.193 -10.561 1.00 2.53 C ATOM 700 H LEU A 45 4.112 -2.058 -10.791 1.00 73.03 H ATOM 701 HA LEU A 45 1.925 -2.826 -8.990 1.00 74.21 H ATOM 702 HB2 LEU A 45 4.788 -3.598 -8.600 1.00 2.22 H ATOM 703 HB3 LEU A 45 3.330 -4.419 -8.045 1.00 64.12 H ATOM 704 HG LEU A 45 4.400 -4.351 -10.866 1.00 12.41 H ATOM 705 HD11 LEU A 45 4.607 -6.227 -8.612 1.00 71.42 H ATOM 706 HD12 LEU A 45 5.664 -5.998 -10.005 1.00 10.20 H ATOM 707 HD13 LEU A 45 4.188 -6.950 -10.166 1.00 41.12 H ATOM 708 HD21 LEU A 45 2.475 -6.204 -10.937 1.00 44.23 H ATOM 709 HD22 LEU A 45 2.194 -4.513 -11.351 1.00 41.31 H ATOM 710 HD23 LEU A 45 1.769 -5.110 -9.747 1.00 4.33 H ATOM 711 N GLN A 46 2.396 -1.187 -7.208 1.00 41.30 N ATOM 712 CA GLN A 46 2.633 -0.199 -6.163 1.00 44.20 C ATOM 713 C GLN A 46 1.921 -0.590 -4.872 1.00 50.54 C ATOM 714 O GLN A 46 0.979 -1.382 -4.887 1.00 12.04 O ATOM 715 CB GLN A 46 2.163 1.182 -6.621 1.00 15.33 C ATOM 716 CG GLN A 46 2.575 1.525 -8.044 1.00 5.23 C ATOM 717 CD GLN A 46 1.984 2.836 -8.524 1.00 34.24 C ATOM 718 OE1 GLN A 46 2.703 3.809 -8.749 1.00 53.14 O ATOM 719 NE2 GLN A 46 0.665 2.868 -8.681 1.00 65.25 N ATOM 720 H GLN A 46 1.506 -1.586 -7.296 1.00 34.13 H ATOM 721 HA GLN A 46 3.696 -0.163 -5.976 1.00 2.22 H ATOM 722 HB2 GLN A 46 1.085 1.220 -6.562 1.00 12.22 H ATOM 723 HB3 GLN A 46 2.577 1.928 -5.960 1.00 2.41 H ATOM 724 HG2 GLN A 46 3.652 1.598 -8.084 1.00 42.23 H ATOM 725 HG3 GLN A 46 2.243 0.734 -8.701 1.00 3.51 H ATOM 726 HE21 GLN A 46 0.156 2.054 -8.482 1.00 1.15 H ATOM 727 HE22 GLN A 46 0.256 3.702 -8.990 1.00 33.52 H ATOM 728 N CYS A 47 2.377 -0.029 -3.757 1.00 11.21 N ATOM 729 CA CYS A 47 1.784 -0.319 -2.457 1.00 61.03 C ATOM 730 C CYS A 47 0.709 0.706 -2.109 1.00 71.51 C ATOM 731 O CYS A 47 1.008 1.871 -1.849 1.00 23.35 O ATOM 732 CB CYS A 47 2.864 -0.331 -1.372 1.00 52.04 C ATOM 733 SG CYS A 47 2.327 -1.074 0.202 1.00 64.33 S ATOM 734 H CYS A 47 3.132 0.595 -3.809 1.00 41.23 H ATOM 735 HA CYS A 47 1.330 -1.297 -2.510 1.00 55.42 H ATOM 736 HB2 CYS A 47 3.714 -0.894 -1.728 1.00 41.32 H ATOM 737 HB3 CYS A 47 3.170 0.685 -1.169 1.00 34.41 H ATOM 738 N ILE A 48 -0.544 0.262 -2.106 1.00 43.24 N ATOM 739 CA ILE A 48 -1.664 1.140 -1.789 1.00 3.20 C ATOM 740 C ILE A 48 -2.141 0.925 -0.357 1.00 11.35 C ATOM 741 O ILE A 48 -2.087 -0.188 0.168 1.00 14.51 O ATOM 742 CB ILE A 48 -2.845 0.916 -2.751 1.00 50.21 C ATOM 743 CG1 ILE A 48 -2.379 1.038 -4.203 1.00 41.24 C ATOM 744 CG2 ILE A 48 -3.960 1.910 -2.462 1.00 11.15 C ATOM 745 CD1 ILE A 48 -2.125 -0.295 -4.871 1.00 61.33 C ATOM 746 H ILE A 48 -0.719 -0.677 -2.322 1.00 41.21 H ATOM 747 HA ILE A 48 -1.327 2.162 -1.896 1.00 22.31 H ATOM 748 HB ILE A 48 -3.230 -0.078 -2.586 1.00 61.44 H ATOM 749 HG12 ILE A 48 -3.133 1.557 -4.774 1.00 45.11 H ATOM 750 HG13 ILE A 48 -1.459 1.605 -4.231 1.00 61.12 H ATOM 751 HG21 ILE A 48 -4.325 1.758 -1.456 1.00 42.51 H ATOM 752 HG22 ILE A 48 -3.579 2.915 -2.557 1.00 2.32 H ATOM 753 HG23 ILE A 48 -4.766 1.761 -3.163 1.00 74.32 H ATOM 754 HD11 ILE A 48 -2.307 -1.092 -4.163 1.00 63.34 H ATOM 755 HD12 ILE A 48 -2.788 -0.407 -5.716 1.00 13.21 H ATOM 756 HD13 ILE A 48 -1.101 -0.341 -5.208 1.00 1.23 H ATOM 757 N CYS A 49 -2.610 1.999 0.272 1.00 74.11 N ATOM 758 CA CYS A 49 -3.100 1.929 1.644 1.00 41.45 C ATOM 759 C CYS A 49 -4.574 2.317 1.715 1.00 64.43 C ATOM 760 O CYS A 49 -5.066 3.084 0.887 1.00 30.53 O ATOM 761 CB CYS A 49 -2.275 2.847 2.548 1.00 71.15 C ATOM 762 SG CYS A 49 -0.478 2.747 2.269 1.00 73.04 S ATOM 763 H CYS A 49 -2.628 2.859 -0.199 1.00 70.13 H ATOM 764 HA CYS A 49 -2.991 0.911 1.984 1.00 74.54 H ATOM 765 HB2 CYS A 49 -2.576 3.871 2.380 1.00 31.21 H ATOM 766 HB3 CYS A 49 -2.463 2.586 3.579 1.00 1.45 H ATOM 767 N ASP A 50 -5.272 1.782 2.710 1.00 35.01 N ATOM 768 CA ASP A 50 -6.690 2.072 2.892 1.00 3.12 C ATOM 769 C ASP A 50 -6.993 2.413 4.348 1.00 73.32 C ATOM 770 O ASP A 50 -6.622 1.672 5.259 1.00 41.52 O ATOM 771 CB ASP A 50 -7.538 0.880 2.447 1.00 74.12 C ATOM 772 CG ASP A 50 -8.773 1.303 1.677 1.00 60.32 C ATOM 773 OD1 ASP A 50 -9.568 2.098 2.221 1.00 31.32 O ATOM 774 OD2 ASP A 50 -8.947 0.838 0.530 1.00 22.53 O ATOM 775 H ASP A 50 -4.824 1.177 3.339 1.00 42.43 H ATOM 776 HA ASP A 50 -6.936 2.926 2.277 1.00 23.54 H ATOM 777 HB2 ASP A 50 -6.943 0.240 1.812 1.00 61.34 H ATOM 778 HB3 ASP A 50 -7.851 0.324 3.319 1.00 54.04 H ATOM 779 N TYR A 51 -7.668 3.537 4.559 1.00 40.33 N ATOM 780 CA TYR A 51 -8.017 3.977 5.904 1.00 32.25 C ATOM 781 C TYR A 51 -9.529 4.123 6.055 1.00 41.15 C ATOM 782 O TYR A 51 -10.165 4.890 5.330 1.00 14.15 O ATOM 783 CB TYR A 51 -7.331 5.307 6.222 1.00 34.13 C ATOM 784 CG TYR A 51 -7.435 5.709 7.677 1.00 72.03 C ATOM 785 CD1 TYR A 51 -7.246 4.777 8.690 1.00 21.43 C ATOM 786 CD2 TYR A 51 -7.722 7.020 8.037 1.00 75.33 C ATOM 787 CE1 TYR A 51 -7.341 5.139 10.020 1.00 60.12 C ATOM 788 CE2 TYR A 51 -7.817 7.391 9.363 1.00 0.24 C ATOM 789 CZ TYR A 51 -7.626 6.448 10.351 1.00 32.23 C ATOM 790 OH TYR A 51 -7.721 6.814 11.675 1.00 30.31 O ATOM 791 H TYR A 51 -7.936 4.085 3.792 1.00 41.13 H ATOM 792 HA TYR A 51 -7.669 3.228 6.600 1.00 11.30 H ATOM 793 HB2 TYR A 51 -6.284 5.232 5.974 1.00 13.41 H ATOM 794 HB3 TYR A 51 -7.782 6.088 5.629 1.00 51.03 H ATOM 795 HD1 TYR A 51 -7.023 3.753 8.427 1.00 42.32 H ATOM 796 HD2 TYR A 51 -7.872 7.755 7.261 1.00 41.24 H ATOM 797 HE1 TYR A 51 -7.190 4.401 10.793 1.00 14.55 H ATOM 798 HE2 TYR A 51 -8.041 8.415 9.624 1.00 64.21 H ATOM 799 HH TYR A 51 -8.621 6.675 11.981 1.00 44.53 H ATOM 800 N CYS A 52 -10.097 3.383 6.999 1.00 33.15 N ATOM 801 CA CYS A 52 -11.533 3.427 7.247 1.00 50.50 C ATOM 802 C CYS A 52 -11.845 4.260 8.488 1.00 70.32 C ATOM 803 O CYS A 52 -11.170 4.145 9.510 1.00 64.12 O ATOM 804 CB CYS A 52 -12.087 2.012 7.417 1.00 61.11 C ATOM 805 SG CYS A 52 -12.268 1.092 5.854 1.00 52.31 S ATOM 806 H CYS A 52 -9.536 2.790 7.545 1.00 72.15 H ATOM 807 HA CYS A 52 -12.002 3.889 6.392 1.00 74.31 H ATOM 808 HB2 CYS A 52 -11.422 1.447 8.053 1.00 30.14 H ATOM 809 HB3 CYS A 52 -13.060 2.068 7.881 1.00 54.14 H