ATOM 46 N ASP A 3 -6.689 -1.661 -0.630 1.00 1.60 N ATOM 47 CA ASP A 3 -5.284 -1.265 -0.612 1.00 1.40 C ATOM 48 C ASP A 3 -5.150 0.242 -0.451 1.00 0.92 C ATOM 49 O ASP A 3 -4.693 0.937 -1.358 1.00 1.08 O ATOM 50 CB ASP A 3 -4.580 -1.705 -1.900 1.00 2.20 C ATOM 51 CG ASP A 3 -4.676 -3.197 -2.146 1.00 3.14 C ATOM 52 OD1 ASP A 3 -5.669 -3.639 -2.763 1.00 3.82 O ATOM 53 OD2 ASP A 3 -3.768 -3.938 -1.727 1.00 3.65 O ATOM 54 H ASP A 3 -7.133 -1.799 -1.494 1.00 1.95 H ATOM 55 HA ASP A 3 -4.813 -1.749 0.230 1.00 1.79 H ATOM 56 HB2 ASP A 3 -5.025 -1.194 -2.739 1.00 2.37 H ATOM 57 HB3 ASP A 3 -3.536 -1.437 -1.835 1.00 2.70 H ATOM 58 N GLU A 4 -5.533 0.739 0.711 1.00 0.75 N ATOM 59 CA GLU A 4 -5.487 2.168 0.983 1.00 0.68 C ATOM 60 C GLU A 4 -4.044 2.654 1.036 1.00 0.52 C ATOM 61 O GLU A 4 -3.728 3.760 0.598 1.00 0.55 O ATOM 62 CB GLU A 4 -6.195 2.485 2.301 1.00 1.18 C ATOM 63 CG GLU A 4 -7.636 2.005 2.345 1.00 1.84 C ATOM 64 CD GLU A 4 -8.461 2.536 1.193 1.00 2.45 C ATOM 65 OE1 GLU A 4 -9.002 3.654 1.304 1.00 2.93 O ATOM 66 OE2 GLU A 4 -8.581 1.832 0.171 1.00 2.94 O ATOM 67 H GLU A 4 -5.853 0.126 1.408 1.00 1.06 H ATOM 68 HA GLU A 4 -5.997 2.676 0.178 1.00 0.78 H ATOM 69 HB2 GLU A 4 -5.656 2.012 3.109 1.00 1.66 H ATOM 70 HB3 GLU A 4 -6.189 3.554 2.452 1.00 1.67 H ATOM 71 HG2 GLU A 4 -7.645 0.926 2.306 1.00 2.32 H ATOM 72 HG3 GLU A 4 -8.084 2.335 3.271 1.00 2.31 H ATOM 73 N CYS A 5 -3.167 1.797 1.540 1.00 0.49 N ATOM 74 CA CYS A 5 -1.758 2.133 1.686 1.00 0.48 C ATOM 75 C CYS A 5 -1.051 2.218 0.332 1.00 0.36 C ATOM 76 O CYS A 5 0.093 2.660 0.252 1.00 0.39 O ATOM 77 CB CYS A 5 -1.062 1.114 2.586 1.00 0.63 C ATOM 78 SG CYS A 5 -0.632 1.746 4.244 1.00 1.15 S ATOM 79 H CYS A 5 -3.477 0.911 1.827 1.00 0.58 H ATOM 80 HA CYS A 5 -1.705 3.102 2.160 1.00 0.55 H ATOM 81 HB2 CYS A 5 -1.711 0.262 2.720 1.00 1.25 H ATOM 82 HB3 CYS A 5 -0.152 0.791 2.108 1.00 1.29 H ATOM 83 N CYS A 6 -1.730 1.808 -0.730 1.00 0.32 N ATOM 84 CA CYS A 6 -1.184 1.930 -2.076 1.00 0.36 C ATOM 85 C CYS A 6 -1.010 3.398 -2.451 1.00 0.27 C ATOM 86 O CYS A 6 -0.085 3.756 -3.174 1.00 0.38 O ATOM 87 CB CYS A 6 -2.102 1.244 -3.085 1.00 0.47 C ATOM 88 SG CYS A 6 -1.523 1.343 -4.810 1.00 1.33 S ATOM 89 H CYS A 6 -2.616 1.401 -0.610 1.00 0.36 H ATOM 90 HA CYS A 6 -0.215 1.450 -2.090 1.00 0.47 H ATOM 91 HB2 CYS A 6 -2.193 0.200 -2.827 1.00 1.05 H ATOM 92 HB3 CYS A 6 -3.077 1.707 -3.037 1.00 0.98 H ATOM 93 N SER A 7 -1.882 4.251 -1.925 1.00 0.20 N ATOM 94 CA SER A 7 -1.831 5.678 -2.219 1.00 0.28 C ATOM 95 C SER A 7 -0.879 6.371 -1.243 1.00 0.27 C ATOM 96 O SER A 7 -0.938 7.584 -1.035 1.00 0.47 O ATOM 97 CB SER A 7 -3.240 6.280 -2.132 1.00 0.39 C ATOM 98 OG SER A 7 -3.272 7.617 -2.609 1.00 1.24 O ATOM 99 H SER A 7 -2.575 3.915 -1.318 1.00 0.23 H ATOM 100 HA SER A 7 -1.452 5.800 -3.223 1.00 0.36 H ATOM 101 HB2 SER A 7 -3.918 5.687 -2.728 1.00 1.18 H ATOM 102 HB3 SER A 7 -3.568 6.270 -1.103 1.00 1.00 H ATOM 103 HG SER A 7 -3.065 8.218 -1.880 1.00 1.80 H ATOM 104 N ASN A 8 0.001 5.574 -0.651 1.00 0.16 N ATOM 105 CA ASN A 8 0.952 6.050 0.338 1.00 0.16 C ATOM 106 C ASN A 8 2.333 5.523 0.006 1.00 0.14 C ATOM 107 O ASN A 8 2.587 4.324 0.135 1.00 0.18 O ATOM 108 CB ASN A 8 0.572 5.546 1.720 1.00 0.19 C ATOM 109 CG ASN A 8 -0.747 6.101 2.223 1.00 0.27 C ATOM 110 OD1 ASN A 8 -0.781 7.111 2.925 1.00 0.43 O ATOM 111 ND2 ASN A 8 -1.842 5.455 1.860 1.00 0.32 N ATOM 112 H ASN A 8 0.018 4.626 -0.897 1.00 0.26 H ATOM 113 HA ASN A 8 0.957 7.128 0.329 1.00 0.21 H ATOM 114 HB2 ASN A 8 0.500 4.471 1.677 1.00 0.20 H ATOM 115 HB3 ASN A 8 1.347 5.818 2.419 1.00 0.23 H ATOM 116 HD21 ASN A 8 -1.750 4.665 1.287 1.00 0.40 H ATOM 117 HD22 ASN A 8 -2.707 5.785 2.188 1.00 0.39 H ATOM 118 N PRO A 9 3.254 6.394 -0.400 1.00 0.18 N ATOM 119 CA PRO A 9 4.590 5.975 -0.816 1.00 0.22 C ATOM 120 C PRO A 9 5.395 5.374 0.329 1.00 0.22 C ATOM 121 O PRO A 9 6.420 4.741 0.107 1.00 0.34 O ATOM 122 CB PRO A 9 5.231 7.274 -1.312 1.00 0.30 C ATOM 123 CG PRO A 9 4.498 8.347 -0.594 1.00 0.67 C ATOM 124 CD PRO A 9 3.085 7.855 -0.488 1.00 0.29 C ATOM 125 HA PRO A 9 4.534 5.258 -1.623 1.00 0.25 H ATOM 126 HB2 PRO A 9 6.283 7.278 -1.069 1.00 0.47 H ATOM 127 HB3 PRO A 9 5.098 7.358 -2.377 1.00 0.54 H ATOM 128 HG2 PRO A 9 4.922 8.491 0.388 1.00 1.09 H ATOM 129 HG3 PRO A 9 4.535 9.265 -1.161 1.00 1.15 H ATOM 130 HD2 PRO A 9 2.619 8.246 0.398 1.00 0.38 H ATOM 131 HD3 PRO A 9 2.521 8.126 -1.368 1.00 0.41 H ATOM 132 N VAL A 10 4.914 5.567 1.548 1.00 0.18 N ATOM 133 CA VAL A 10 5.572 5.026 2.729 1.00 0.25 C ATOM 134 C VAL A 10 5.141 3.577 2.960 1.00 0.25 C ATOM 135 O VAL A 10 5.912 2.747 3.445 1.00 0.34 O ATOM 136 CB VAL A 10 5.254 5.869 3.981 1.00 0.40 C ATOM 137 CG1 VAL A 10 6.077 5.407 5.172 1.00 1.22 C ATOM 138 CG2 VAL A 10 5.492 7.346 3.703 1.00 1.26 C ATOM 139 H VAL A 10 4.088 6.085 1.654 1.00 0.16 H ATOM 140 HA VAL A 10 6.643 5.049 2.559 1.00 0.28 H ATOM 141 HB VAL A 10 4.210 5.736 4.222 1.00 0.81 H ATOM 142 HG11 VAL A 10 7.128 5.509 4.945 1.00 1.65 H ATOM 143 HG12 VAL A 10 5.854 4.371 5.382 1.00 1.91 H ATOM 144 HG13 VAL A 10 5.834 6.010 6.034 1.00 1.72 H ATOM 145 HG21 VAL A 10 6.530 7.503 3.457 1.00 1.79 H ATOM 146 HG22 VAL A 10 5.238 7.922 4.578 1.00 1.87 H ATOM 147 HG23 VAL A 10 4.874 7.661 2.875 1.00 1.78 H ATOM 148 N CYS A 11 3.914 3.262 2.593 1.00 0.25 N ATOM 149 CA CYS A 11 3.438 1.906 2.707 1.00 0.33 C ATOM 150 C CYS A 11 4.016 1.049 1.589 1.00 0.31 C ATOM 151 O CYS A 11 4.583 -0.014 1.836 1.00 0.39 O ATOM 152 CB CYS A 11 1.921 1.869 2.638 1.00 0.46 C ATOM 153 SG CYS A 11 1.063 2.821 3.931 1.00 1.29 S ATOM 154 H CYS A 11 3.316 3.948 2.245 1.00 0.26 H ATOM 155 HA CYS A 11 3.762 1.513 3.658 1.00 0.38 H ATOM 156 HB2 CYS A 11 1.605 2.260 1.683 1.00 1.17 H ATOM 157 HB3 CYS A 11 1.605 0.851 2.719 1.00 0.89 H ATOM 158 N ARG A 12 3.895 1.532 0.356 1.00 0.31 N ATOM 159 CA ARG A 12 4.278 0.736 -0.802 1.00 0.38 C ATOM 160 C ARG A 12 5.779 0.561 -0.929 1.00 0.34 C ATOM 161 O ARG A 12 6.243 -0.313 -1.656 1.00 0.45 O ATOM 162 CB ARG A 12 3.680 1.290 -2.089 1.00 0.45 C ATOM 163 CG ARG A 12 3.851 2.771 -2.223 1.00 0.43 C ATOM 164 CD ARG A 12 3.120 3.312 -3.437 1.00 0.42 C ATOM 165 NE ARG A 12 3.499 4.691 -3.735 1.00 1.07 N ATOM 166 CZ ARG A 12 2.753 5.540 -4.440 1.00 1.32 C ATOM 167 NH1 ARG A 12 1.561 5.172 -4.886 1.00 1.25 N ATOM 168 NH2 ARG A 12 3.203 6.760 -4.695 1.00 2.15 N ATOM 169 H ARG A 12 3.534 2.437 0.222 1.00 0.32 H ATOM 170 HA ARG A 12 3.866 -0.219 -0.634 1.00 0.46 H ATOM 171 HB2 ARG A 12 4.165 0.821 -2.929 1.00 0.79 H ATOM 172 HB3 ARG A 12 2.625 1.062 -2.116 1.00 0.80 H ATOM 173 HG2 ARG A 12 3.446 3.223 -1.336 1.00 0.74 H ATOM 174 HG3 ARG A 12 4.902 3.000 -2.306 1.00 0.76 H ATOM 175 HD2 ARG A 12 3.350 2.691 -4.290 1.00 0.93 H ATOM 176 HD3 ARG A 12 2.059 3.275 -3.240 1.00 0.84 H ATOM 177 HE ARG A 12 4.374 4.995 -3.405 1.00 1.67 H ATOM 178 HH11 ARG A 12 1.208 4.251 -4.693 1.00 1.25 H ATOM 179 HH12 ARG A 12 1.003 5.813 -5.418 1.00 1.66 H ATOM 180 HH21 ARG A 12 4.105 7.047 -4.360 1.00 2.66 H ATOM 181 HH22 ARG A 12 2.645 7.404 -5.226 1.00 2.40 H ATOM 182 N VAL A 13 6.535 1.390 -0.239 1.00 0.26 N ATOM 183 CA VAL A 13 7.972 1.253 -0.218 1.00 0.30 C ATOM 184 C VAL A 13 8.383 0.055 0.643 1.00 0.24 C ATOM 185 O VAL A 13 9.309 -0.679 0.292 1.00 0.40 O ATOM 186 CB VAL A 13 8.624 2.537 0.315 1.00 0.41 C ATOM 187 CG1 VAL A 13 8.129 2.825 1.708 1.00 1.45 C ATOM 188 CG2 VAL A 13 10.126 2.434 0.306 1.00 1.52 C ATOM 189 H VAL A 13 6.121 2.114 0.264 1.00 0.26 H ATOM 190 HA VAL A 13 8.309 1.091 -1.231 1.00 0.41 H ATOM 191 HB VAL A 13 8.333 3.358 -0.325 1.00 1.12 H ATOM 192 HG11 VAL A 13 8.561 2.115 2.395 1.00 2.05 H ATOM 193 HG12 VAL A 13 7.046 2.720 1.722 1.00 2.05 H ATOM 194 HG13 VAL A 13 8.402 3.828 1.994 1.00 2.01 H ATOM 195 HG21 VAL A 13 10.424 1.600 0.922 1.00 2.09 H ATOM 196 HG22 VAL A 13 10.543 3.346 0.702 1.00 2.08 H ATOM 197 HG23 VAL A 13 10.469 2.281 -0.704 1.00 2.12 H ATOM 198 N ASN A 14 7.689 -0.157 1.765 1.00 0.21 N ATOM 199 CA ASN A 14 8.042 -1.260 2.653 1.00 0.33 C ATOM 200 C ASN A 14 7.333 -2.550 2.252 1.00 0.35 C ATOM 201 O ASN A 14 7.895 -3.635 2.397 1.00 0.49 O ATOM 202 CB ASN A 14 7.756 -0.932 4.127 1.00 0.52 C ATOM 203 CG ASN A 14 6.280 -0.921 4.487 1.00 0.90 C ATOM 204 OD1 ASN A 14 5.681 -1.965 4.755 1.00 1.71 O ATOM 205 ND2 ASN A 14 5.692 0.259 4.536 1.00 1.17 N ATOM 206 H ASN A 14 6.946 0.449 2.005 1.00 0.26 H ATOM 207 HA ASN A 14 9.106 -1.421 2.543 1.00 0.41 H ATOM 208 HB2 ASN A 14 8.244 -1.665 4.747 1.00 1.20 H ATOM 209 HB3 ASN A 14 8.165 0.042 4.351 1.00 1.08 H ATOM 210 HD21 ASN A 14 6.231 1.059 4.338 1.00 1.23 H ATOM 211 HD22 ASN A 14 4.745 0.294 4.776 1.00 1.74 H ATOM 212 N ASN A 15 6.103 -2.446 1.757 1.00 0.36 N ATOM 213 CA ASN A 15 5.367 -3.604 1.331 1.00 0.45 C ATOM 214 C ASN A 15 5.806 -4.019 -0.068 1.00 0.73 C ATOM 215 O ASN A 15 6.124 -3.193 -0.923 1.00 1.32 O ATOM 216 CB ASN A 15 3.851 -3.338 1.433 1.00 0.82 C ATOM 217 CG ASN A 15 3.226 -2.490 0.322 1.00 1.75 C ATOM 218 OD1 ASN A 15 3.599 -2.555 -0.846 1.00 2.56 O ATOM 219 ND2 ASN A 15 2.231 -1.697 0.687 1.00 2.27 N ATOM 220 H ASN A 15 5.671 -1.579 1.694 1.00 0.40 H ATOM 221 HA ASN A 15 5.621 -4.415 2.009 1.00 0.71 H ATOM 222 HB2 ASN A 15 3.350 -4.278 1.440 1.00 1.47 H ATOM 223 HB3 ASN A 15 3.657 -2.843 2.374 1.00 0.82 H ATOM 224 HD21 ASN A 15 1.959 -1.700 1.632 1.00 2.25 H ATOM 225 HD22 ASN A 15 1.800 -1.149 0.001 1.00 3.00 H ATOM 241 N HIS A 17 4.183 -5.892 -2.528 1.00 1.47 N ATOM 242 CA HIS A 17 3.219 -5.676 -3.606 1.00 1.83 C ATOM 243 C HIS A 17 1.793 -5.584 -3.065 1.00 1.80 C ATOM 244 O HIS A 17 0.867 -6.177 -3.612 1.00 2.36 O ATOM 245 CB HIS A 17 3.324 -6.783 -4.678 1.00 2.49 C ATOM 246 CG HIS A 17 3.038 -8.178 -4.190 1.00 3.06 C ATOM 247 ND1 HIS A 17 1.831 -8.813 -4.392 1.00 3.61 N ATOM 248 CD2 HIS A 17 3.814 -9.062 -3.520 1.00 3.81 C ATOM 249 CE1 HIS A 17 1.877 -10.021 -3.865 1.00 4.43 C ATOM 250 NE2 HIS A 17 3.070 -10.198 -3.328 1.00 4.56 N ATOM 251 H HIS A 17 3.868 -6.191 -1.649 1.00 1.80 H ATOM 252 HA HIS A 17 3.463 -4.731 -4.067 1.00 1.98 H ATOM 253 HB2 HIS A 17 2.625 -6.567 -5.470 1.00 2.89 H ATOM 254 HB3 HIS A 17 4.325 -6.776 -5.085 1.00 2.78 H ATOM 255 HD1 HIS A 17 1.053 -8.431 -4.858 1.00 3.74 H ATOM 256 HD2 HIS A 17 4.833 -8.905 -3.199 1.00 4.12 H ATOM 257 HE1 HIS A 17 1.074 -10.743 -3.869 1.00 5.16 H ATOM 258 HE2 HIS A 17 3.308 -10.935 -2.719 1.00 5.29 H ATOM 259 N VAL A 18 1.615 -4.829 -1.991 1.00 1.42 N ATOM 260 CA VAL A 18 0.285 -4.650 -1.419 1.00 1.64 C ATOM 261 C VAL A 18 -0.458 -3.538 -2.156 1.00 1.68 C ATOM 262 O VAL A 18 -0.632 -2.426 -1.648 1.00 2.19 O ATOM 263 CB VAL A 18 0.327 -4.348 0.096 1.00 1.79 C ATOM 264 CG1 VAL A 18 -1.082 -4.265 0.670 1.00 2.51 C ATOM 265 CG2 VAL A 18 1.130 -5.410 0.828 1.00 2.52 C ATOM 266 H VAL A 18 2.385 -4.378 -1.585 1.00 1.27 H ATOM 267 HA VAL A 18 -0.256 -5.575 -1.563 1.00 2.00 H ATOM 268 HB VAL A 18 0.811 -3.393 0.242 1.00 1.75 H ATOM 269 HG11 VAL A 18 -1.583 -5.211 0.531 1.00 2.89 H ATOM 270 HG12 VAL A 18 -1.633 -3.487 0.161 1.00 3.06 H ATOM 271 HG13 VAL A 18 -1.028 -4.038 1.723 1.00 2.90 H ATOM 272 HG21 VAL A 18 0.635 -6.364 0.736 1.00 2.98 H ATOM 273 HG22 VAL A 18 1.209 -5.145 1.873 1.00 2.81 H ATOM 274 HG23 VAL A 18 2.116 -5.474 0.398 1.00 3.01 H ATOM 275 N CYS A 19 -0.840 -3.852 -3.386 1.00 1.57 N ATOM 276 CA CYS A 19 -1.650 -2.976 -4.218 1.00 1.91 C ATOM 277 C CYS A 19 -1.921 -3.656 -5.553 1.00 2.65 C ATOM 278 O CYS A 19 -1.027 -3.644 -6.425 1.00 3.17 O ATOM 279 CB CYS A 19 -0.969 -1.621 -4.445 1.00 1.69 C ATOM 280 SG CYS A 19 -1.892 -0.506 -5.556 1.00 1.79 S ATOM 281 OXT CYS A 19 -3.019 -4.227 -5.720 1.00 3.23 O ATOM 282 H CYS A 19 -0.552 -4.716 -3.755 1.00 1.62 H ATOM 283 HA CYS A 19 -2.592 -2.818 -3.713 1.00 2.34 H ATOM 284 HB2 CYS A 19 -0.858 -1.119 -3.494 1.00 1.86 H ATOM 285 HB3 CYS A 19 0.008 -1.785 -4.876 1.00 2.15 H