ATOM 46 N ASP A 3 -7.085 -0.954 -1.226 1.00 1.60 N ATOM 47 CA ASP A 3 -6.104 -0.778 -0.175 1.00 1.40 C ATOM 48 C ASP A 3 -5.711 0.687 -0.116 1.00 0.92 C ATOM 49 O ASP A 3 -5.402 1.306 -1.138 1.00 1.08 O ATOM 50 CB ASP A 3 -4.866 -1.648 -0.409 1.00 2.20 C ATOM 51 CG ASP A 3 -3.997 -1.751 0.831 1.00 3.14 C ATOM 52 OD1 ASP A 3 -3.897 -2.860 1.405 1.00 3.82 O ATOM 53 OD2 ASP A 3 -3.435 -0.725 1.263 1.00 3.65 O ATOM 54 H ASP A 3 -7.105 -0.310 -1.961 1.00 1.95 H ATOM 55 HA ASP A 3 -6.565 -1.056 0.762 1.00 1.79 H ATOM 56 HB2 ASP A 3 -5.180 -2.642 -0.690 1.00 2.37 H ATOM 57 HB3 ASP A 3 -4.276 -1.221 -1.206 1.00 2.70 H ATOM 58 N GLU A 4 -5.755 1.241 1.079 1.00 0.75 N ATOM 59 CA GLU A 4 -5.500 2.646 1.292 1.00 0.68 C ATOM 60 C GLU A 4 -4.013 2.964 1.157 1.00 0.52 C ATOM 61 O GLU A 4 -3.636 4.068 0.763 1.00 0.55 O ATOM 62 CB GLU A 4 -6.016 3.027 2.676 1.00 1.18 C ATOM 63 CG GLU A 4 -5.731 4.456 3.071 1.00 1.84 C ATOM 64 CD GLU A 4 -6.348 4.815 4.405 1.00 2.45 C ATOM 65 OE1 GLU A 4 -7.486 5.332 4.419 1.00 2.93 O ATOM 66 OE2 GLU A 4 -5.711 4.562 5.447 1.00 2.94 O ATOM 67 H GLU A 4 -5.969 0.684 1.852 1.00 1.06 H ATOM 68 HA GLU A 4 -6.047 3.202 0.548 1.00 0.78 H ATOM 69 HB2 GLU A 4 -7.085 2.878 2.701 1.00 1.66 H ATOM 70 HB3 GLU A 4 -5.558 2.377 3.407 1.00 1.67 H ATOM 71 HG2 GLU A 4 -4.664 4.575 3.136 1.00 2.32 H ATOM 72 HG3 GLU A 4 -6.127 5.116 2.313 1.00 2.31 H ATOM 73 N CYS A 5 -3.174 1.975 1.427 1.00 0.49 N ATOM 74 CA CYS A 5 -1.738 2.177 1.452 1.00 0.48 C ATOM 75 C CYS A 5 -1.156 2.337 0.051 1.00 0.36 C ATOM 76 O CYS A 5 0.015 2.674 -0.104 1.00 0.39 O ATOM 77 CB CYS A 5 -1.060 1.021 2.180 1.00 0.63 C ATOM 78 SG CYS A 5 -0.700 1.362 3.934 1.00 1.15 S ATOM 79 H CYS A 5 -3.529 1.070 1.597 1.00 0.58 H ATOM 80 HA CYS A 5 -1.549 3.085 2.004 1.00 0.55 H ATOM 81 HB2 CYS A 5 -1.706 0.156 2.140 1.00 1.25 H ATOM 82 HB3 CYS A 5 -0.133 0.791 1.688 1.00 1.29 H ATOM 83 N CYS A 6 -1.972 2.108 -0.967 1.00 0.32 N ATOM 84 CA CYS A 6 -1.548 2.306 -2.341 1.00 0.36 C ATOM 85 C CYS A 6 -1.253 3.781 -2.606 1.00 0.27 C ATOM 86 O CYS A 6 -0.311 4.118 -3.325 1.00 0.38 O ATOM 87 CB CYS A 6 -2.641 1.822 -3.281 1.00 0.47 C ATOM 88 SG CYS A 6 -3.120 0.081 -3.047 1.00 1.33 S ATOM 89 H CYS A 6 -2.881 1.785 -0.795 1.00 0.36 H ATOM 90 HA CYS A 6 -0.647 1.729 -2.503 1.00 0.47 H ATOM 91 HB2 CYS A 6 -3.520 2.428 -3.123 1.00 1.05 H ATOM 92 HB3 CYS A 6 -2.308 1.939 -4.294 1.00 0.98 H ATOM 93 N SER A 7 -2.047 4.661 -2.006 1.00 0.20 N ATOM 94 CA SER A 7 -1.831 6.098 -2.138 1.00 0.28 C ATOM 95 C SER A 7 -0.886 6.580 -1.042 1.00 0.27 C ATOM 96 O SER A 7 -0.851 7.759 -0.686 1.00 0.47 O ATOM 97 CB SER A 7 -3.160 6.847 -2.065 1.00 0.39 C ATOM 98 OG SER A 7 -4.068 6.375 -3.048 1.00 1.24 O ATOM 99 H SER A 7 -2.791 4.339 -1.452 1.00 0.23 H ATOM 100 HA SER A 7 -1.373 6.278 -3.100 1.00 0.36 H ATOM 101 HB2 SER A 7 -3.598 6.702 -1.091 1.00 1.18 H ATOM 102 HB3 SER A 7 -2.987 7.901 -2.227 1.00 1.00 H ATOM 103 HG SER A 7 -4.086 5.410 -3.029 1.00 1.80 H ATOM 104 N ASN A 8 -0.132 5.638 -0.504 1.00 0.16 N ATOM 105 CA ASN A 8 0.850 5.915 0.526 1.00 0.16 C ATOM 106 C ASN A 8 2.181 5.347 0.105 1.00 0.14 C ATOM 107 O ASN A 8 2.431 4.152 0.276 1.00 0.18 O ATOM 108 CB ASN A 8 0.443 5.281 1.848 1.00 0.19 C ATOM 109 CG ASN A 8 -0.707 6.000 2.518 1.00 0.27 C ATOM 110 OD1 ASN A 8 -0.498 6.881 3.351 1.00 0.43 O ATOM 111 ND2 ASN A 8 -1.922 5.650 2.145 1.00 0.32 N ATOM 112 H ASN A 8 -0.230 4.714 -0.821 1.00 0.26 H ATOM 113 HA ASN A 8 0.931 6.984 0.645 1.00 0.21 H ATOM 114 HB2 ASN A 8 0.153 4.261 1.661 1.00 0.20 H ATOM 115 HB3 ASN A 8 1.290 5.290 2.519 1.00 0.23 H ATOM 116 HD21 ASN A 8 -2.016 4.950 1.460 1.00 0.40 H ATOM 117 HD22 ASN A 8 -2.685 6.102 2.564 1.00 0.39 H ATOM 118 N PRO A 9 3.064 6.176 -0.443 1.00 0.18 N ATOM 119 CA PRO A 9 4.355 5.710 -0.924 1.00 0.22 C ATOM 120 C PRO A 9 5.212 5.152 0.206 1.00 0.22 C ATOM 121 O PRO A 9 6.196 4.465 -0.036 1.00 0.34 O ATOM 122 CB PRO A 9 4.985 6.962 -1.541 1.00 0.30 C ATOM 123 CG PRO A 9 4.291 8.098 -0.884 1.00 0.67 C ATOM 124 CD PRO A 9 2.889 7.624 -0.648 1.00 0.29 C ATOM 125 HA PRO A 9 4.227 4.950 -1.679 1.00 0.25 H ATOM 126 HB2 PRO A 9 6.044 6.973 -1.342 1.00 0.47 H ATOM 127 HB3 PRO A 9 4.811 6.964 -2.603 1.00 0.54 H ATOM 128 HG2 PRO A 9 4.774 8.332 0.055 1.00 1.09 H ATOM 129 HG3 PRO A 9 4.293 8.959 -1.536 1.00 1.15 H ATOM 130 HD2 PRO A 9 2.480 8.092 0.229 1.00 0.38 H ATOM 131 HD3 PRO A 9 2.270 7.821 -1.510 1.00 0.41 H ATOM 132 N VAL A 10 4.801 5.427 1.442 1.00 0.18 N ATOM 133 CA VAL A 10 5.499 4.923 2.618 1.00 0.25 C ATOM 134 C VAL A 10 5.127 3.462 2.866 1.00 0.25 C ATOM 135 O VAL A 10 5.940 2.666 3.334 1.00 0.34 O ATOM 136 CB VAL A 10 5.164 5.765 3.870 1.00 0.40 C ATOM 137 CG1 VAL A 10 5.872 5.226 5.103 1.00 1.22 C ATOM 138 CG2 VAL A 10 5.532 7.222 3.644 1.00 1.26 C ATOM 139 H VAL A 10 3.993 5.974 1.562 1.00 0.16 H ATOM 140 HA VAL A 10 6.566 4.986 2.431 1.00 0.28 H ATOM 141 HB VAL A 10 4.099 5.709 4.042 1.00 0.81 H ATOM 142 HG11 VAL A 10 5.587 4.197 5.263 1.00 1.65 H ATOM 143 HG12 VAL A 10 5.592 5.814 5.966 1.00 1.91 H ATOM 144 HG13 VAL A 10 6.940 5.286 4.959 1.00 1.72 H ATOM 145 HG21 VAL A 10 5.279 7.797 4.520 1.00 1.79 H ATOM 146 HG22 VAL A 10 4.989 7.603 2.793 1.00 1.87 H ATOM 147 HG23 VAL A 10 6.593 7.300 3.456 1.00 1.78 H ATOM 148 N CYS A 11 3.903 3.102 2.531 1.00 0.25 N ATOM 149 CA CYS A 11 3.472 1.733 2.658 1.00 0.33 C ATOM 150 C CYS A 11 4.130 0.874 1.589 1.00 0.31 C ATOM 151 O CYS A 11 4.746 -0.147 1.890 1.00 0.39 O ATOM 152 CB CYS A 11 1.959 1.637 2.529 1.00 0.46 C ATOM 153 SG CYS A 11 1.017 2.446 3.862 1.00 1.29 S ATOM 154 H CYS A 11 3.274 3.765 2.185 1.00 0.26 H ATOM 155 HA CYS A 11 3.769 1.376 3.631 1.00 0.38 H ATOM 156 HB2 CYS A 11 1.658 2.094 1.598 1.00 1.17 H ATOM 157 HB3 CYS A 11 1.681 0.602 2.515 1.00 0.89 H ATOM 158 N ARG A 12 4.033 1.315 0.342 1.00 0.31 N ATOM 159 CA ARG A 12 4.460 0.489 -0.779 1.00 0.38 C ATOM 160 C ARG A 12 5.966 0.400 -0.929 1.00 0.34 C ATOM 161 O ARG A 12 6.477 -0.489 -1.611 1.00 0.45 O ATOM 162 CB ARG A 12 3.803 0.923 -2.081 1.00 0.45 C ATOM 163 CG ARG A 12 3.669 2.410 -2.230 1.00 0.43 C ATOM 164 CD ARG A 12 2.815 2.764 -3.430 1.00 0.42 C ATOM 165 NE ARG A 12 3.065 1.872 -4.561 1.00 1.07 N ATOM 166 CZ ARG A 12 3.515 2.271 -5.750 1.00 1.32 C ATOM 167 NH1 ARG A 12 3.740 3.558 -5.992 1.00 1.25 N ATOM 168 NH2 ARG A 12 3.728 1.379 -6.707 1.00 2.15 N ATOM 169 H ARG A 12 3.659 2.205 0.174 1.00 0.32 H ATOM 170 HA ARG A 12 4.114 -0.482 -0.555 1.00 0.46 H ATOM 171 HB2 ARG A 12 4.393 0.557 -2.906 1.00 0.79 H ATOM 172 HB3 ARG A 12 2.817 0.487 -2.134 1.00 0.80 H ATOM 173 HG2 ARG A 12 3.195 2.790 -1.342 1.00 0.74 H ATOM 174 HG3 ARG A 12 4.649 2.844 -2.342 1.00 0.76 H ATOM 175 HD2 ARG A 12 1.777 2.688 -3.145 1.00 0.93 H ATOM 176 HD3 ARG A 12 3.036 3.779 -3.723 1.00 0.84 H ATOM 177 HE ARG A 12 2.886 0.909 -4.418 1.00 1.67 H ATOM 178 HH11 ARG A 12 3.575 4.245 -5.278 1.00 1.25 H ATOM 179 HH12 ARG A 12 4.083 3.848 -6.889 1.00 1.66 H ATOM 180 HH21 ARG A 12 3.553 0.406 -6.540 1.00 2.66 H ATOM 181 HH22 ARG A 12 4.076 1.672 -7.600 1.00 2.40 H ATOM 182 N VAL A 13 6.677 1.313 -0.310 1.00 0.26 N ATOM 183 CA VAL A 13 8.117 1.240 -0.276 1.00 0.30 C ATOM 184 C VAL A 13 8.578 0.094 0.632 1.00 0.24 C ATOM 185 O VAL A 13 9.537 -0.613 0.308 1.00 0.40 O ATOM 186 CB VAL A 13 8.702 2.576 0.212 1.00 0.41 C ATOM 187 CG1 VAL A 13 8.164 2.906 1.580 1.00 1.45 C ATOM 188 CG2 VAL A 13 10.208 2.541 0.242 1.00 1.52 C ATOM 189 H VAL A 13 6.231 2.065 0.124 1.00 0.26 H ATOM 190 HA VAL A 13 8.468 1.060 -1.281 1.00 0.41 H ATOM 191 HB VAL A 13 8.393 3.354 -0.470 1.00 1.12 H ATOM 192 HG11 VAL A 13 8.379 3.935 1.819 1.00 2.05 H ATOM 193 HG12 VAL A 13 8.626 2.259 2.313 1.00 2.05 H ATOM 194 HG13 VAL A 13 7.089 2.744 1.587 1.00 2.01 H ATOM 195 HG21 VAL A 13 10.583 2.375 -0.753 1.00 2.09 H ATOM 196 HG22 VAL A 13 10.528 1.741 0.891 1.00 2.08 H ATOM 197 HG23 VAL A 13 10.575 3.482 0.618 1.00 2.12 H ATOM 198 N ASN A 14 7.884 -0.109 1.757 1.00 0.21 N ATOM 199 CA ASN A 14 8.314 -1.117 2.723 1.00 0.33 C ATOM 200 C ASN A 14 7.581 -2.447 2.539 1.00 0.35 C ATOM 201 O ASN A 14 8.128 -3.496 2.872 1.00 0.49 O ATOM 202 CB ASN A 14 8.154 -0.618 4.170 1.00 0.52 C ATOM 203 CG ASN A 14 6.735 -0.732 4.702 1.00 0.90 C ATOM 204 OD1 ASN A 14 6.340 -1.767 5.236 1.00 1.71 O ATOM 205 ND2 ASN A 14 5.968 0.338 4.596 1.00 1.17 N ATOM 206 H ASN A 14 7.084 0.437 1.943 1.00 0.26 H ATOM 207 HA ASN A 14 9.364 -1.291 2.543 1.00 0.41 H ATOM 208 HB2 ASN A 14 8.799 -1.197 4.813 1.00 1.20 H ATOM 209 HB3 ASN A 14 8.452 0.419 4.216 1.00 1.08 H ATOM 210 HD21 ASN A 14 6.346 1.148 4.185 1.00 1.23 H ATOM 211 HD22 ASN A 14 5.048 0.280 4.924 1.00 1.74 H ATOM 212 N ASN A 15 6.351 -2.423 2.024 1.00 0.36 N ATOM 213 CA ASN A 15 5.600 -3.642 1.845 1.00 0.45 C ATOM 214 C ASN A 15 6.218 -4.511 0.754 1.00 0.73 C ATOM 215 O ASN A 15 6.719 -4.032 -0.264 1.00 1.32 O ATOM 216 CB ASN A 15 4.109 -3.344 1.584 1.00 0.82 C ATOM 217 CG ASN A 15 3.770 -2.680 0.253 1.00 1.75 C ATOM 218 OD1 ASN A 15 4.445 -2.852 -0.754 1.00 2.56 O ATOM 219 ND2 ASN A 15 2.670 -1.939 0.241 1.00 2.27 N ATOM 220 H ASN A 15 5.932 -1.580 1.783 1.00 0.40 H ATOM 221 HA ASN A 15 5.675 -4.195 2.777 1.00 0.71 H ATOM 222 HB2 ASN A 15 3.576 -4.265 1.629 1.00 1.47 H ATOM 223 HB3 ASN A 15 3.748 -2.703 2.375 1.00 0.82 H ATOM 224 HD21 ASN A 15 2.153 -1.870 1.069 1.00 2.25 H ATOM 225 HD22 ASN A 15 2.417 -1.483 -0.602 1.00 3.00 H ATOM 241 N HIS A 17 4.867 -7.179 -1.170 1.00 1.47 N ATOM 242 CA HIS A 17 4.103 -7.311 -2.409 1.00 1.83 C ATOM 243 C HIS A 17 2.625 -6.987 -2.189 1.00 1.80 C ATOM 244 O HIS A 17 1.745 -7.644 -2.747 1.00 2.36 O ATOM 245 CB HIS A 17 4.267 -8.718 -3.017 1.00 2.49 C ATOM 246 CG HIS A 17 3.729 -9.847 -2.179 1.00 3.06 C ATOM 247 ND1 HIS A 17 2.507 -10.439 -2.414 1.00 3.61 N ATOM 248 CD2 HIS A 17 4.264 -10.507 -1.123 1.00 3.81 C ATOM 249 CE1 HIS A 17 2.312 -11.409 -1.542 1.00 4.43 C ATOM 250 NE2 HIS A 17 3.363 -11.470 -0.749 1.00 4.56 N ATOM 251 H HIS A 17 4.412 -7.253 -0.307 1.00 1.80 H ATOM 252 HA HIS A 17 4.503 -6.590 -3.107 1.00 1.98 H ATOM 253 HB2 HIS A 17 3.756 -8.748 -3.967 1.00 2.89 H ATOM 254 HB3 HIS A 17 5.320 -8.903 -3.182 1.00 2.78 H ATOM 255 HD1 HIS A 17 1.870 -10.181 -3.119 1.00 3.74 H ATOM 256 HD2 HIS A 17 5.223 -10.313 -0.666 1.00 4.12 H ATOM 257 HE1 HIS A 17 1.443 -12.047 -1.491 1.00 5.16 H ATOM 258 HE2 HIS A 17 3.500 -12.141 -0.044 1.00 5.29 H ATOM 259 N VAL A 18 2.352 -5.968 -1.385 1.00 1.42 N ATOM 260 CA VAL A 18 0.975 -5.581 -1.105 1.00 1.64 C ATOM 261 C VAL A 18 0.428 -4.693 -2.217 1.00 1.68 C ATOM 262 O VAL A 18 -0.380 -5.130 -3.037 1.00 2.19 O ATOM 263 CB VAL A 18 0.846 -4.841 0.246 1.00 1.79 C ATOM 264 CG1 VAL A 18 -0.608 -4.502 0.537 1.00 2.51 C ATOM 265 CG2 VAL A 18 1.435 -5.671 1.374 1.00 2.52 C ATOM 266 H VAL A 18 3.089 -5.459 -0.986 1.00 1.27 H ATOM 267 HA VAL A 18 0.381 -6.483 -1.056 1.00 2.00 H ATOM 268 HB VAL A 18 1.400 -3.917 0.181 1.00 1.75 H ATOM 269 HG11 VAL A 18 -0.676 -3.995 1.488 1.00 2.89 H ATOM 270 HG12 VAL A 18 -1.191 -5.410 0.571 1.00 3.06 H ATOM 271 HG13 VAL A 18 -0.991 -3.860 -0.241 1.00 2.90 H ATOM 272 HG21 VAL A 18 0.861 -6.576 1.491 1.00 2.98 H ATOM 273 HG22 VAL A 18 1.404 -5.104 2.293 1.00 2.81 H ATOM 274 HG23 VAL A 18 2.457 -5.922 1.141 1.00 3.01 H ATOM 275 N CYS A 19 0.887 -3.452 -2.246 1.00 1.57 N ATOM 276 CA CYS A 19 0.417 -2.471 -3.208 1.00 1.91 C ATOM 277 C CYS A 19 1.262 -1.216 -3.082 1.00 2.65 C ATOM 278 O CYS A 19 1.814 -0.752 -4.106 1.00 3.17 O ATOM 279 CB CYS A 19 -1.062 -2.143 -2.966 1.00 1.69 C ATOM 280 SG CYS A 19 -1.775 -0.958 -4.155 1.00 1.79 S ATOM 281 OXT CYS A 19 1.417 -0.739 -1.941 1.00 3.23 O ATOM 282 H CYS A 19 1.566 -3.180 -1.595 1.00 1.62 H ATOM 283 HA CYS A 19 0.538 -2.884 -4.200 1.00 2.34 H ATOM 284 HB2 CYS A 19 -1.638 -3.053 -3.028 1.00 1.86 H ATOM 285 HB3 CYS A 19 -1.168 -1.723 -1.976 1.00 2.15 H