ATOM 46 N ASP A 3 -6.460 -1.408 1.179 1.00 1.60 N ATOM 47 CA ASP A 3 -6.155 -0.991 -0.190 1.00 1.40 C ATOM 48 C ASP A 3 -6.056 0.531 -0.264 1.00 0.92 C ATOM 49 O ASP A 3 -6.394 1.154 -1.269 1.00 1.08 O ATOM 50 CB ASP A 3 -7.209 -1.525 -1.166 1.00 2.20 C ATOM 51 CG ASP A 3 -6.747 -1.472 -2.610 1.00 3.14 C ATOM 52 OD1 ASP A 3 -7.246 -0.619 -3.375 1.00 3.82 O ATOM 53 OD2 ASP A 3 -5.885 -2.292 -2.987 1.00 3.65 O ATOM 54 H ASP A 3 -5.836 -2.015 1.629 1.00 1.95 H ATOM 55 HA ASP A 3 -5.194 -1.409 -0.450 1.00 1.79 H ATOM 56 HB2 ASP A 3 -7.432 -2.551 -0.917 1.00 2.37 H ATOM 57 HB3 ASP A 3 -8.106 -0.935 -1.069 1.00 2.70 H ATOM 58 N GLU A 4 -5.585 1.120 0.823 1.00 0.75 N ATOM 59 CA GLU A 4 -5.449 2.562 0.918 1.00 0.68 C ATOM 60 C GLU A 4 -3.984 2.959 0.869 1.00 0.52 C ATOM 61 O GLU A 4 -3.642 4.079 0.503 1.00 0.55 O ATOM 62 CB GLU A 4 -6.078 3.072 2.213 1.00 1.18 C ATOM 63 CG GLU A 4 -5.421 2.526 3.470 1.00 1.84 C ATOM 64 CD GLU A 4 -5.961 3.167 4.728 1.00 2.45 C ATOM 65 OE1 GLU A 4 -5.611 4.331 5.006 1.00 2.93 O ATOM 66 OE2 GLU A 4 -6.728 2.502 5.453 1.00 2.94 O ATOM 67 H GLU A 4 -5.319 0.563 1.586 1.00 1.06 H ATOM 68 HA GLU A 4 -5.962 3.003 0.077 1.00 0.78 H ATOM 69 HB2 GLU A 4 -6.007 4.148 2.235 1.00 1.66 H ATOM 70 HB3 GLU A 4 -7.120 2.789 2.228 1.00 1.67 H ATOM 71 HG2 GLU A 4 -5.598 1.461 3.521 1.00 2.32 H ATOM 72 HG3 GLU A 4 -4.357 2.710 3.416 1.00 2.31 H ATOM 73 N CYS A 5 -3.117 2.023 1.218 1.00 0.49 N ATOM 74 CA CYS A 5 -1.693 2.277 1.276 1.00 0.48 C ATOM 75 C CYS A 5 -1.086 2.451 -0.116 1.00 0.36 C ATOM 76 O CYS A 5 0.093 2.765 -0.250 1.00 0.39 O ATOM 77 CB CYS A 5 -0.990 1.167 2.049 1.00 0.63 C ATOM 78 SG CYS A 5 -0.765 1.528 3.826 1.00 1.15 S ATOM 79 H CYS A 5 -3.444 1.127 1.449 1.00 0.58 H ATOM 80 HA CYS A 5 -1.560 3.202 1.817 1.00 0.55 H ATOM 81 HB2 CYS A 5 -1.571 0.262 1.970 1.00 1.25 H ATOM 82 HB3 CYS A 5 -0.022 1.000 1.617 1.00 1.29 H ATOM 83 N CYS A 6 -1.887 2.234 -1.149 1.00 0.32 N ATOM 84 CA CYS A 6 -1.458 2.475 -2.514 1.00 0.36 C ATOM 85 C CYS A 6 -1.147 3.953 -2.731 1.00 0.27 C ATOM 86 O CYS A 6 -0.212 4.299 -3.450 1.00 0.38 O ATOM 87 CB CYS A 6 -2.550 2.038 -3.477 1.00 0.47 C ATOM 88 SG CYS A 6 -2.953 0.266 -3.391 1.00 1.33 S ATOM 89 H CYS A 6 -2.794 1.904 -0.993 1.00 0.36 H ATOM 90 HA CYS A 6 -0.564 1.896 -2.697 1.00 0.47 H ATOM 91 HB2 CYS A 6 -3.448 2.593 -3.256 1.00 1.05 H ATOM 92 HB3 CYS A 6 -2.235 2.257 -4.480 1.00 0.98 H ATOM 93 N SER A 7 -1.923 4.818 -2.092 1.00 0.20 N ATOM 94 CA SER A 7 -1.706 6.254 -2.188 1.00 0.28 C ATOM 95 C SER A 7 -0.747 6.701 -1.093 1.00 0.27 C ATOM 96 O SER A 7 -0.501 7.888 -0.899 1.00 0.47 O ATOM 97 CB SER A 7 -3.041 6.992 -2.076 1.00 0.39 C ATOM 98 OG SER A 7 -3.848 6.423 -1.058 1.00 1.24 O ATOM 99 H SER A 7 -2.659 4.485 -1.531 1.00 0.23 H ATOM 100 HA SER A 7 -1.264 6.462 -3.150 1.00 0.36 H ATOM 101 HB2 SER A 7 -2.859 8.030 -1.837 1.00 1.18 H ATOM 102 HB3 SER A 7 -3.568 6.926 -3.016 1.00 1.00 H ATOM 103 HG SER A 7 -4.143 7.115 -0.452 1.00 1.80 H ATOM 104 N ASN A 8 -0.218 5.719 -0.380 1.00 0.16 N ATOM 105 CA ASN A 8 0.721 5.957 0.705 1.00 0.16 C ATOM 106 C ASN A 8 2.068 5.386 0.317 1.00 0.14 C ATOM 107 O ASN A 8 2.339 4.211 0.572 1.00 0.18 O ATOM 108 CB ASN A 8 0.261 5.273 1.996 1.00 0.19 C ATOM 109 CG ASN A 8 -1.051 5.800 2.559 1.00 0.27 C ATOM 110 OD1 ASN A 8 -1.210 5.919 3.773 1.00 0.43 O ATOM 111 ND2 ASN A 8 -2.014 6.068 1.697 1.00 0.32 N ATOM 112 H ASN A 8 -0.454 4.794 -0.603 1.00 0.26 H ATOM 113 HA ASN A 8 0.807 7.021 0.864 1.00 0.21 H ATOM 114 HB2 ASN A 8 0.139 4.222 1.786 1.00 0.20 H ATOM 115 HB3 ASN A 8 1.030 5.391 2.747 1.00 0.23 H ATOM 116 HD21 ASN A 8 -1.838 5.913 0.742 1.00 0.40 H ATOM 117 HD22 ASN A 8 -2.868 6.409 2.042 1.00 0.39 H ATOM 118 N PRO A 9 2.935 6.190 -0.301 1.00 0.18 N ATOM 119 CA PRO A 9 4.209 5.706 -0.824 1.00 0.22 C ATOM 120 C PRO A 9 5.034 4.987 0.233 1.00 0.22 C ATOM 121 O PRO A 9 5.801 4.089 -0.081 1.00 0.34 O ATOM 122 CB PRO A 9 4.913 6.982 -1.293 1.00 0.30 C ATOM 123 CG PRO A 9 3.813 7.946 -1.552 1.00 0.67 C ATOM 124 CD PRO A 9 2.758 7.633 -0.534 1.00 0.29 C ATOM 125 HA PRO A 9 4.053 5.039 -1.661 1.00 0.25 H ATOM 126 HB2 PRO A 9 5.567 7.337 -0.515 1.00 0.47 H ATOM 127 HB3 PRO A 9 5.481 6.778 -2.189 1.00 0.54 H ATOM 128 HG2 PRO A 9 4.172 8.958 -1.425 1.00 1.09 H ATOM 129 HG3 PRO A 9 3.426 7.807 -2.549 1.00 1.15 H ATOM 130 HD2 PRO A 9 2.926 8.196 0.373 1.00 0.38 H ATOM 131 HD3 PRO A 9 1.781 7.840 -0.932 1.00 0.41 H ATOM 132 N VAL A 10 4.828 5.345 1.490 1.00 0.18 N ATOM 133 CA VAL A 10 5.564 4.724 2.581 1.00 0.25 C ATOM 134 C VAL A 10 5.236 3.236 2.661 1.00 0.25 C ATOM 135 O VAL A 10 6.136 2.397 2.739 1.00 0.34 O ATOM 136 CB VAL A 10 5.251 5.400 3.934 1.00 0.40 C ATOM 137 CG1 VAL A 10 5.871 4.624 5.088 1.00 1.22 C ATOM 138 CG2 VAL A 10 5.745 6.839 3.936 1.00 1.26 C ATOM 139 H VAL A 10 4.145 6.025 1.687 1.00 0.16 H ATOM 140 HA VAL A 10 6.622 4.836 2.376 1.00 0.28 H ATOM 141 HB VAL A 10 4.180 5.410 4.070 1.00 0.81 H ATOM 142 HG11 VAL A 10 5.455 3.628 5.116 1.00 1.65 H ATOM 143 HG12 VAL A 10 5.657 5.131 6.018 1.00 1.91 H ATOM 144 HG13 VAL A 10 6.939 4.565 4.949 1.00 1.72 H ATOM 145 HG21 VAL A 10 5.273 7.382 3.131 1.00 1.79 H ATOM 146 HG22 VAL A 10 6.814 6.854 3.800 1.00 1.87 H ATOM 147 HG23 VAL A 10 5.495 7.304 4.877 1.00 1.78 H ATOM 148 N CYS A 11 3.949 2.918 2.605 1.00 0.25 N ATOM 149 CA CYS A 11 3.487 1.546 2.679 1.00 0.33 C ATOM 150 C CYS A 11 4.048 0.711 1.538 1.00 0.31 C ATOM 151 O CYS A 11 4.717 -0.296 1.759 1.00 0.39 O ATOM 152 CB CYS A 11 1.969 1.504 2.590 1.00 0.46 C ATOM 153 SG CYS A 11 1.074 2.392 3.898 1.00 1.29 S ATOM 154 H CYS A 11 3.284 3.629 2.502 1.00 0.26 H ATOM 155 HA CYS A 11 3.800 1.129 3.622 1.00 0.38 H ATOM 156 HB2 CYS A 11 1.669 1.935 1.648 1.00 1.17 H ATOM 157 HB3 CYS A 11 1.656 0.479 2.618 1.00 0.89 H ATOM 158 N ARG A 12 3.783 1.159 0.315 1.00 0.31 N ATOM 159 CA ARG A 12 4.100 0.379 -0.878 1.00 0.38 C ATOM 160 C ARG A 12 5.594 0.179 -1.072 1.00 0.34 C ATOM 161 O ARG A 12 6.016 -0.705 -1.817 1.00 0.45 O ATOM 162 CB ARG A 12 3.450 0.983 -2.122 1.00 0.45 C ATOM 163 CG ARG A 12 3.546 2.480 -2.192 1.00 0.43 C ATOM 164 CD ARG A 12 2.709 3.040 -3.331 1.00 0.42 C ATOM 165 NE ARG A 12 2.925 2.316 -4.585 1.00 1.07 N ATOM 166 CZ ARG A 12 2.102 2.376 -5.636 1.00 1.32 C ATOM 167 NH1 ARG A 12 1.019 3.147 -5.598 1.00 1.25 N ATOM 168 NH2 ARG A 12 2.364 1.667 -6.728 1.00 2.15 N ATOM 169 H ARG A 12 3.361 2.038 0.215 1.00 0.32 H ATOM 170 HA ARG A 12 3.676 -0.570 -0.729 1.00 0.46 H ATOM 171 HB2 ARG A 12 3.933 0.583 -2.995 1.00 0.79 H ATOM 172 HB3 ARG A 12 2.405 0.709 -2.139 1.00 0.80 H ATOM 173 HG2 ARG A 12 3.180 2.874 -1.262 1.00 0.74 H ATOM 174 HG3 ARG A 12 4.577 2.761 -2.330 1.00 0.76 H ATOM 175 HD2 ARG A 12 1.667 2.969 -3.061 1.00 0.93 H ATOM 176 HD3 ARG A 12 2.972 4.078 -3.476 1.00 0.84 H ATOM 177 HE ARG A 12 3.725 1.748 -4.643 1.00 1.67 H ATOM 178 HH11 ARG A 12 0.811 3.693 -4.778 1.00 1.25 H ATOM 179 HH12 ARG A 12 0.404 3.192 -6.389 1.00 1.66 H ATOM 180 HH21 ARG A 12 3.180 1.084 -6.769 1.00 2.66 H ATOM 181 HH22 ARG A 12 1.747 1.710 -7.518 1.00 2.40 H ATOM 182 N VAL A 13 6.383 0.997 -0.410 1.00 0.26 N ATOM 183 CA VAL A 13 7.816 0.910 -0.503 1.00 0.30 C ATOM 184 C VAL A 13 8.409 -0.029 0.547 1.00 0.24 C ATOM 185 O VAL A 13 9.218 -0.894 0.216 1.00 0.40 O ATOM 186 CB VAL A 13 8.405 2.315 -0.410 1.00 0.41 C ATOM 187 CG1 VAL A 13 9.909 2.282 -0.253 1.00 1.45 C ATOM 188 CG2 VAL A 13 7.995 3.073 -1.654 1.00 1.52 C ATOM 189 H VAL A 13 5.991 1.691 0.159 1.00 0.26 H ATOM 190 HA VAL A 13 8.054 0.519 -1.482 1.00 0.41 H ATOM 191 HB VAL A 13 7.980 2.812 0.448 1.00 1.12 H ATOM 192 HG11 VAL A 13 10.276 3.290 -0.136 1.00 2.05 H ATOM 193 HG12 VAL A 13 10.353 1.832 -1.127 1.00 2.05 H ATOM 194 HG13 VAL A 13 10.160 1.703 0.622 1.00 2.01 H ATOM 195 HG21 VAL A 13 6.937 2.898 -1.834 1.00 2.09 H ATOM 196 HG22 VAL A 13 8.568 2.722 -2.497 1.00 2.08 H ATOM 197 HG23 VAL A 13 8.166 4.128 -1.510 1.00 2.12 H ATOM 198 N ASN A 14 8.001 0.113 1.804 1.00 0.21 N ATOM 199 CA ASN A 14 8.553 -0.736 2.859 1.00 0.33 C ATOM 200 C ASN A 14 7.956 -2.136 2.783 1.00 0.35 C ATOM 201 O ASN A 14 8.572 -3.113 3.215 1.00 0.49 O ATOM 202 CB ASN A 14 8.316 -0.146 4.258 1.00 0.52 C ATOM 203 CG ASN A 14 6.935 -0.440 4.824 1.00 0.90 C ATOM 204 OD1 ASN A 14 6.732 -1.453 5.492 1.00 1.71 O ATOM 205 ND2 ASN A 14 5.984 0.443 4.578 1.00 1.17 N ATOM 206 H ASN A 14 7.330 0.794 2.025 1.00 0.26 H ATOM 207 HA ASN A 14 9.617 -0.811 2.690 1.00 0.41 H ATOM 208 HB2 ASN A 14 9.044 -0.565 4.930 1.00 1.20 H ATOM 209 HB3 ASN A 14 8.448 0.926 4.214 1.00 1.08 H ATOM 210 HD21 ASN A 14 6.213 1.240 4.047 1.00 1.23 H ATOM 211 HD22 ASN A 14 5.090 0.270 4.936 1.00 1.74 H ATOM 212 N ASN A 15 6.766 -2.224 2.216 1.00 0.36 N ATOM 213 CA ASN A 15 6.061 -3.481 2.104 1.00 0.45 C ATOM 214 C ASN A 15 5.483 -3.625 0.705 1.00 0.73 C ATOM 215 O ASN A 15 4.353 -3.218 0.436 1.00 1.32 O ATOM 216 CB ASN A 15 4.937 -3.564 3.128 1.00 0.82 C ATOM 217 CG ASN A 15 4.172 -4.875 3.045 1.00 1.75 C ATOM 218 OD1 ASN A 15 4.734 -5.916 2.704 1.00 2.56 O ATOM 219 ND2 ASN A 15 2.884 -4.837 3.345 1.00 2.27 N ATOM 220 H ASN A 15 6.352 -1.419 1.848 1.00 0.40 H ATOM 221 HA ASN A 15 6.772 -4.271 2.284 1.00 0.71 H ATOM 222 HB2 ASN A 15 5.349 -3.466 4.121 1.00 1.47 H ATOM 223 HB3 ASN A 15 4.254 -2.753 2.941 1.00 0.82 H ATOM 224 HD21 ASN A 15 2.491 -3.974 3.603 1.00 2.25 H ATOM 225 HD22 ASN A 15 2.372 -5.672 3.296 1.00 3.00 H ATOM 241 N HIS A 17 3.970 -5.688 -0.948 1.00 1.47 N ATOM 242 CA HIS A 17 2.925 -6.693 -1.099 1.00 1.83 C ATOM 243 C HIS A 17 1.609 -6.185 -0.520 1.00 1.80 C ATOM 244 O HIS A 17 0.698 -6.963 -0.243 1.00 2.36 O ATOM 245 CB HIS A 17 3.321 -8.013 -0.427 1.00 2.49 C ATOM 246 CG HIS A 17 4.294 -8.834 -1.221 1.00 3.06 C ATOM 247 ND1 HIS A 17 5.452 -9.360 -0.689 1.00 3.61 N ATOM 248 CD2 HIS A 17 4.262 -9.239 -2.512 1.00 3.81 C ATOM 249 CE1 HIS A 17 6.090 -10.049 -1.616 1.00 4.43 C ATOM 250 NE2 HIS A 17 5.387 -9.991 -2.730 1.00 4.56 N ATOM 251 H HIS A 17 3.974 -5.123 -0.145 1.00 1.80 H ATOM 252 HA HIS A 17 2.789 -6.867 -2.157 1.00 1.98 H ATOM 253 HB2 HIS A 17 3.774 -7.799 0.530 1.00 2.89 H ATOM 254 HB3 HIS A 17 2.434 -8.609 -0.271 1.00 2.78 H ATOM 255 HD1 HIS A 17 5.761 -9.247 0.239 1.00 3.74 H ATOM 256 HD2 HIS A 17 3.495 -9.010 -3.238 1.00 4.12 H ATOM 257 HE1 HIS A 17 7.025 -10.571 -1.485 1.00 5.16 H ATOM 258 HE2 HIS A 17 5.611 -10.456 -3.566 1.00 5.29 H ATOM 259 N VAL A 18 1.512 -4.873 -0.345 1.00 1.42 N ATOM 260 CA VAL A 18 0.298 -4.263 0.189 1.00 1.64 C ATOM 261 C VAL A 18 -0.543 -3.680 -0.946 1.00 1.68 C ATOM 262 O VAL A 18 -1.731 -3.392 -0.787 1.00 2.19 O ATOM 263 CB VAL A 18 0.627 -3.164 1.229 1.00 1.79 C ATOM 264 CG1 VAL A 18 1.346 -1.990 0.581 1.00 2.51 C ATOM 265 CG2 VAL A 18 -0.631 -2.693 1.947 1.00 2.52 C ATOM 266 H VAL A 18 2.270 -4.298 -0.587 1.00 1.27 H ATOM 267 HA VAL A 18 -0.272 -5.039 0.681 1.00 2.00 H ATOM 268 HB VAL A 18 1.291 -3.591 1.966 1.00 1.75 H ATOM 269 HG11 VAL A 18 1.542 -1.234 1.325 1.00 2.89 H ATOM 270 HG12 VAL A 18 0.728 -1.576 -0.202 1.00 3.06 H ATOM 271 HG13 VAL A 18 2.279 -2.330 0.161 1.00 2.90 H ATOM 272 HG21 VAL A 18 -1.317 -2.266 1.230 1.00 2.98 H ATOM 273 HG22 VAL A 18 -0.369 -1.947 2.682 1.00 2.81 H ATOM 274 HG23 VAL A 18 -1.100 -3.532 2.439 1.00 3.01 H ATOM 275 N CYS A 19 0.080 -3.518 -2.099 1.00 1.57 N ATOM 276 CA CYS A 19 -0.587 -2.960 -3.257 1.00 1.91 C ATOM 277 C CYS A 19 0.006 -3.552 -4.527 1.00 2.65 C ATOM 278 O CYS A 19 1.039 -3.035 -5.004 1.00 3.17 O ATOM 279 CB CYS A 19 -0.449 -1.437 -3.261 1.00 1.69 C ATOM 280 SG CYS A 19 -1.488 -0.597 -4.500 1.00 1.79 S ATOM 281 OXT CYS A 19 -0.543 -4.555 -5.029 1.00 3.23 O ATOM 282 H CYS A 19 1.020 -3.783 -2.177 1.00 1.62 H ATOM 283 HA CYS A 19 -1.632 -3.223 -3.201 1.00 2.34 H ATOM 284 HB2 CYS A 19 -0.725 -1.055 -2.289 1.00 1.86 H ATOM 285 HB3 CYS A 19 0.580 -1.177 -3.464 1.00 2.15 H