ATOM 46 N ASP A 3 -6.246 -0.545 2.490 1.00 1.60 N ATOM 47 CA ASP A 3 -5.952 -0.595 1.059 1.00 1.40 C ATOM 48 C ASP A 3 -5.674 0.789 0.499 1.00 0.92 C ATOM 49 O ASP A 3 -5.387 0.951 -0.685 1.00 1.08 O ATOM 50 CB ASP A 3 -7.096 -1.256 0.284 1.00 2.20 C ATOM 51 CG ASP A 3 -8.401 -0.492 0.393 1.00 3.14 C ATOM 52 OD1 ASP A 3 -9.177 -0.758 1.332 1.00 3.82 O ATOM 53 OD2 ASP A 3 -8.654 0.384 -0.461 1.00 3.65 O ATOM 54 H ASP A 3 -7.174 -0.672 2.794 1.00 1.95 H ATOM 55 HA ASP A 3 -5.065 -1.184 0.941 1.00 1.79 H ATOM 56 HB2 ASP A 3 -6.824 -1.312 -0.758 1.00 2.37 H ATOM 57 HB3 ASP A 3 -7.251 -2.254 0.664 1.00 2.70 H ATOM 58 N GLU A 4 -5.732 1.774 1.369 1.00 0.75 N ATOM 59 CA GLU A 4 -5.422 3.149 1.000 1.00 0.68 C ATOM 60 C GLU A 4 -3.920 3.322 0.848 1.00 0.52 C ATOM 61 O GLU A 4 -3.451 4.306 0.281 1.00 0.55 O ATOM 62 CB GLU A 4 -5.922 4.126 2.058 1.00 1.18 C ATOM 63 CG GLU A 4 -7.403 4.024 2.353 1.00 1.84 C ATOM 64 CD GLU A 4 -7.840 5.054 3.368 1.00 2.45 C ATOM 65 OE1 GLU A 4 -8.427 6.080 2.961 1.00 2.93 O ATOM 66 OE2 GLU A 4 -7.619 4.836 4.576 1.00 2.94 O ATOM 67 H GLU A 4 -5.991 1.566 2.285 1.00 1.06 H ATOM 68 HA GLU A 4 -5.902 3.365 0.058 1.00 0.78 H ATOM 69 HB2 GLU A 4 -5.385 3.945 2.976 1.00 1.66 H ATOM 70 HB3 GLU A 4 -5.713 5.132 1.724 1.00 1.67 H ATOM 71 HG2 GLU A 4 -7.954 4.182 1.437 1.00 2.32 H ATOM 72 HG3 GLU A 4 -7.618 3.040 2.741 1.00 2.31 H ATOM 73 N CYS A 5 -3.168 2.349 1.349 1.00 0.49 N ATOM 74 CA CYS A 5 -1.718 2.416 1.357 1.00 0.48 C ATOM 75 C CYS A 5 -1.128 2.450 -0.054 1.00 0.36 C ATOM 76 O CYS A 5 0.072 2.649 -0.221 1.00 0.39 O ATOM 77 CB CYS A 5 -1.145 1.252 2.154 1.00 0.63 C ATOM 78 SG CYS A 5 -0.853 1.630 3.916 1.00 1.15 S ATOM 79 H CYS A 5 -3.603 1.554 1.726 1.00 0.58 H ATOM 80 HA CYS A 5 -1.447 3.333 1.856 1.00 0.55 H ATOM 81 HB2 CYS A 5 -1.835 0.423 2.107 1.00 1.25 H ATOM 82 HB3 CYS A 5 -0.210 0.955 1.717 1.00 1.29 H ATOM 83 N CYS A 6 -1.964 2.260 -1.067 1.00 0.32 N ATOM 84 CA CYS A 6 -1.540 2.439 -2.441 1.00 0.36 C ATOM 85 C CYS A 6 -1.187 3.905 -2.678 1.00 0.27 C ATOM 86 O CYS A 6 -0.231 4.222 -3.384 1.00 0.38 O ATOM 87 CB CYS A 6 -2.660 2.044 -3.394 1.00 0.47 C ATOM 88 SG CYS A 6 -3.445 0.428 -3.068 1.00 1.33 S ATOM 89 H CYS A 6 -2.887 1.983 -0.890 1.00 0.36 H ATOM 90 HA CYS A 6 -0.670 1.822 -2.617 1.00 0.47 H ATOM 91 HB2 CYS A 6 -3.433 2.794 -3.337 1.00 1.05 H ATOM 92 HB3 CYS A 6 -2.266 2.022 -4.392 1.00 0.98 H ATOM 93 N SER A 7 -1.958 4.791 -2.053 1.00 0.20 N ATOM 94 CA SER A 7 -1.763 6.226 -2.188 1.00 0.28 C ATOM 95 C SER A 7 -0.757 6.714 -1.154 1.00 0.27 C ATOM 96 O SER A 7 -0.533 7.910 -0.990 1.00 0.47 O ATOM 97 CB SER A 7 -3.100 6.950 -2.008 1.00 0.39 C ATOM 98 OG SER A 7 -4.089 6.407 -2.870 1.00 1.24 O ATOM 99 H SER A 7 -2.682 4.466 -1.473 1.00 0.23 H ATOM 100 HA SER A 7 -1.379 6.423 -3.176 1.00 0.36 H ATOM 101 HB2 SER A 7 -3.432 6.840 -0.985 1.00 1.18 H ATOM 102 HB3 SER A 7 -2.975 7.998 -2.235 1.00 1.00 H ATOM 103 HG SER A 7 -3.949 6.750 -3.766 1.00 1.80 H ATOM 104 N ASN A 8 -0.158 5.763 -0.460 1.00 0.16 N ATOM 105 CA ASN A 8 0.833 6.046 0.561 1.00 0.16 C ATOM 106 C ASN A 8 2.126 5.371 0.187 1.00 0.14 C ATOM 107 O ASN A 8 2.322 4.194 0.501 1.00 0.18 O ATOM 108 CB ASN A 8 0.385 5.506 1.911 1.00 0.19 C ATOM 109 CG ASN A 8 -0.809 6.243 2.480 1.00 0.27 C ATOM 110 OD1 ASN A 8 -0.665 7.132 3.318 1.00 0.43 O ATOM 111 ND2 ASN A 8 -1.991 5.901 2.005 1.00 0.32 N ATOM 112 H ASN A 8 -0.378 4.828 -0.656 1.00 0.26 H ATOM 113 HA ASN A 8 0.979 7.114 0.621 1.00 0.21 H ATOM 114 HB2 ASN A 8 0.127 4.467 1.789 1.00 0.20 H ATOM 115 HB3 ASN A 8 1.203 5.584 2.612 1.00 0.23 H ATOM 116 HD21 ASN A 8 -2.029 5.201 1.317 1.00 0.40 H ATOM 117 HD22 ASN A 8 -2.785 6.367 2.351 1.00 0.39 H ATOM 118 N PRO A 9 3.023 6.077 -0.502 1.00 0.18 N ATOM 119 CA PRO A 9 4.295 5.512 -0.916 1.00 0.22 C ATOM 120 C PRO A 9 5.065 4.891 0.247 1.00 0.22 C ATOM 121 O PRO A 9 5.873 4.001 0.047 1.00 0.34 O ATOM 122 CB PRO A 9 5.048 6.706 -1.504 1.00 0.30 C ATOM 123 CG PRO A 9 3.976 7.631 -1.955 1.00 0.67 C ATOM 124 CD PRO A 9 2.865 7.472 -0.958 1.00 0.29 C ATOM 125 HA PRO A 9 4.146 4.763 -1.676 1.00 0.25 H ATOM 126 HB2 PRO A 9 5.658 7.158 -0.740 1.00 0.47 H ATOM 127 HB3 PRO A 9 5.665 6.381 -2.327 1.00 0.54 H ATOM 128 HG2 PRO A 9 4.342 8.648 -1.955 1.00 1.09 H ATOM 129 HG3 PRO A 9 3.638 7.351 -2.942 1.00 1.15 H ATOM 130 HD2 PRO A 9 2.990 8.163 -0.141 1.00 0.38 H ATOM 131 HD3 PRO A 9 1.912 7.614 -1.433 1.00 0.41 H ATOM 132 N VAL A 10 4.771 5.320 1.468 1.00 0.18 N ATOM 133 CA VAL A 10 5.465 4.785 2.633 1.00 0.25 C ATOM 134 C VAL A 10 5.161 3.297 2.791 1.00 0.25 C ATOM 135 O VAL A 10 6.064 2.477 2.967 1.00 0.34 O ATOM 136 CB VAL A 10 5.088 5.556 3.921 1.00 0.40 C ATOM 137 CG1 VAL A 10 3.621 5.391 4.285 1.00 1.22 C ATOM 138 CG2 VAL A 10 5.983 5.147 5.081 1.00 1.26 C ATOM 139 H VAL A 10 4.059 5.992 1.587 1.00 0.16 H ATOM 140 HA VAL A 10 6.528 4.902 2.464 1.00 0.28 H ATOM 141 HB VAL A 10 5.249 6.597 3.728 1.00 0.81 H ATOM 142 HG11 VAL A 10 3.410 4.347 4.462 1.00 1.65 H ATOM 143 HG12 VAL A 10 3.008 5.745 3.472 1.00 1.91 H ATOM 144 HG13 VAL A 10 3.402 5.958 5.174 1.00 1.72 H ATOM 145 HG21 VAL A 10 7.011 5.381 4.842 1.00 1.79 H ATOM 146 HG22 VAL A 10 5.885 4.086 5.252 1.00 1.87 H ATOM 147 HG23 VAL A 10 5.690 5.685 5.970 1.00 1.78 H ATOM 148 N CYS A 11 3.886 2.961 2.685 1.00 0.25 N ATOM 149 CA CYS A 11 3.427 1.591 2.785 1.00 0.33 C ATOM 150 C CYS A 11 4.026 0.728 1.680 1.00 0.31 C ATOM 151 O CYS A 11 4.678 -0.280 1.942 1.00 0.39 O ATOM 152 CB CYS A 11 1.907 1.541 2.674 1.00 0.46 C ATOM 153 SG CYS A 11 0.991 2.490 3.931 1.00 1.29 S ATOM 154 H CYS A 11 3.226 3.672 2.550 1.00 0.26 H ATOM 155 HA CYS A 11 3.726 1.202 3.745 1.00 0.38 H ATOM 156 HB2 CYS A 11 1.617 1.925 1.708 1.00 1.17 H ATOM 157 HB3 CYS A 11 1.594 0.518 2.748 1.00 0.89 H ATOM 158 N ARG A 12 3.821 1.157 0.441 1.00 0.31 N ATOM 159 CA ARG A 12 4.174 0.349 -0.725 1.00 0.38 C ATOM 160 C ARG A 12 5.674 0.219 -0.930 1.00 0.34 C ATOM 161 O ARG A 12 6.130 -0.655 -1.664 1.00 0.45 O ATOM 162 CB ARG A 12 3.473 0.850 -1.984 1.00 0.45 C ATOM 163 CG ARG A 12 3.456 2.349 -2.106 1.00 0.43 C ATOM 164 CD ARG A 12 2.546 2.812 -3.226 1.00 0.42 C ATOM 165 NE ARG A 12 2.842 2.150 -4.495 1.00 1.07 N ATOM 166 CZ ARG A 12 2.087 2.262 -5.586 1.00 1.32 C ATOM 167 NH1 ARG A 12 1.001 3.028 -5.573 1.00 1.25 N ATOM 168 NH2 ARG A 12 2.422 1.610 -6.693 1.00 2.15 N ATOM 169 H ARG A 12 3.422 2.041 0.309 1.00 0.32 H ATOM 170 HA ARG A 12 3.810 -0.615 -0.528 1.00 0.46 H ATOM 171 HB2 ARG A 12 3.977 0.446 -2.849 1.00 0.79 H ATOM 172 HB3 ARG A 12 2.451 0.500 -1.978 1.00 0.80 H ATOM 173 HG2 ARG A 12 3.095 2.749 -1.178 1.00 0.74 H ATOM 174 HG3 ARG A 12 4.460 2.697 -2.290 1.00 0.76 H ATOM 175 HD2 ARG A 12 1.525 2.595 -2.951 1.00 0.93 H ATOM 176 HD3 ARG A 12 2.664 3.878 -3.351 1.00 0.84 H ATOM 177 HE ARG A 12 3.647 1.588 -4.531 1.00 1.67 H ATOM 178 HH11 ARG A 12 0.743 3.527 -4.738 1.00 1.25 H ATOM 179 HH12 ARG A 12 0.435 3.115 -6.395 1.00 1.66 H ATOM 180 HH21 ARG A 12 3.243 1.033 -6.710 1.00 2.66 H ATOM 181 HH22 ARG A 12 1.853 1.688 -7.517 1.00 2.40 H ATOM 182 N VAL A 13 6.440 1.077 -0.295 1.00 0.26 N ATOM 183 CA VAL A 13 7.875 1.032 -0.426 1.00 0.30 C ATOM 184 C VAL A 13 8.517 0.096 0.595 1.00 0.24 C ATOM 185 O VAL A 13 9.435 -0.650 0.258 1.00 0.40 O ATOM 186 CB VAL A 13 8.435 2.452 -0.353 1.00 0.41 C ATOM 187 CG1 VAL A 13 9.937 2.464 -0.156 1.00 1.45 C ATOM 188 CG2 VAL A 13 8.037 3.165 -1.630 1.00 1.52 C ATOM 189 H VAL A 13 6.035 1.764 0.274 1.00 0.26 H ATOM 190 HA VAL A 13 8.091 0.647 -1.413 1.00 0.41 H ATOM 191 HB VAL A 13 7.974 2.965 0.478 1.00 1.12 H ATOM 192 HG11 VAL A 13 10.412 1.980 -0.994 1.00 2.05 H ATOM 193 HG12 VAL A 13 10.177 1.934 0.753 1.00 2.05 H ATOM 194 HG13 VAL A 13 10.279 3.483 -0.082 1.00 2.01 H ATOM 195 HG21 VAL A 13 8.211 4.225 -1.529 1.00 2.09 H ATOM 196 HG22 VAL A 13 6.979 2.979 -1.815 1.00 2.08 H ATOM 197 HG23 VAL A 13 8.615 2.776 -2.455 1.00 2.12 H ATOM 198 N ASN A 14 8.027 0.096 1.831 1.00 0.21 N ATOM 199 CA ASN A 14 8.542 -0.851 2.820 1.00 0.33 C ATOM 200 C ASN A 14 7.913 -2.218 2.599 1.00 0.35 C ATOM 201 O ASN A 14 8.488 -3.249 2.945 1.00 0.49 O ATOM 202 CB ASN A 14 8.288 -0.391 4.263 1.00 0.52 C ATOM 203 CG ASN A 14 6.866 -0.633 4.751 1.00 0.90 C ATOM 204 OD1 ASN A 14 6.551 -1.703 5.276 1.00 1.71 O ATOM 205 ND2 ASN A 14 6.005 0.360 4.608 1.00 1.17 N ATOM 206 H ASN A 14 7.325 0.736 2.081 1.00 0.26 H ATOM 207 HA ASN A 14 9.607 -0.937 2.662 1.00 0.41 H ATOM 208 HB2 ASN A 14 8.953 -0.936 4.912 1.00 1.20 H ATOM 209 HB3 ASN A 14 8.502 0.665 4.341 1.00 1.08 H ATOM 210 HD21 ASN A 14 6.322 1.199 4.197 1.00 1.23 H ATOM 211 HD22 ASN A 14 5.086 0.225 4.918 1.00 1.74 H ATOM 212 N ASN A 15 6.735 -2.214 1.998 1.00 0.36 N ATOM 213 CA ASN A 15 5.989 -3.427 1.755 1.00 0.45 C ATOM 214 C ASN A 15 5.335 -3.340 0.382 1.00 0.73 C ATOM 215 O ASN A 15 4.205 -2.872 0.246 1.00 1.32 O ATOM 216 CB ASN A 15 4.911 -3.607 2.818 1.00 0.82 C ATOM 217 CG ASN A 15 4.324 -5.015 2.874 1.00 1.75 C ATOM 218 OD1 ASN A 15 3.822 -5.441 3.913 1.00 2.56 O ATOM 219 ND2 ASN A 15 4.397 -5.758 1.776 1.00 2.27 N ATOM 220 H ASN A 15 6.358 -1.364 1.696 1.00 0.40 H ATOM 221 HA ASN A 15 6.675 -4.257 1.785 1.00 0.71 H ATOM 222 HB2 ASN A 15 5.329 -3.373 3.785 1.00 1.47 H ATOM 223 HB3 ASN A 15 4.117 -2.916 2.599 1.00 0.82 H ATOM 224 HD21 ASN A 15 4.821 -5.377 0.983 1.00 2.25 H ATOM 225 HD22 ASN A 15 4.027 -6.668 1.808 1.00 3.00 H ATOM 241 N HIS A 17 3.559 -4.867 -1.512 1.00 1.47 N ATOM 242 CA HIS A 17 2.424 -5.753 -1.696 1.00 1.83 C ATOM 243 C HIS A 17 1.394 -5.444 -0.614 1.00 1.80 C ATOM 244 O HIS A 17 0.610 -6.298 -0.200 1.00 2.36 O ATOM 245 CB HIS A 17 2.868 -7.222 -1.631 1.00 2.49 C ATOM 246 CG HIS A 17 1.793 -8.202 -1.997 1.00 3.06 C ATOM 247 ND1 HIS A 17 1.251 -9.093 -1.096 1.00 3.61 N ATOM 248 CD2 HIS A 17 1.162 -8.429 -3.171 1.00 3.81 C ATOM 249 CE1 HIS A 17 0.338 -9.826 -1.702 1.00 4.43 C ATOM 250 NE2 HIS A 17 0.263 -9.445 -2.961 1.00 4.56 N ATOM 251 H HIS A 17 3.622 -4.353 -0.678 1.00 1.80 H ATOM 252 HA HIS A 17 1.991 -5.549 -2.664 1.00 1.98 H ATOM 253 HB2 HIS A 17 3.694 -7.370 -2.310 1.00 2.89 H ATOM 254 HB3 HIS A 17 3.195 -7.445 -0.626 1.00 2.78 H ATOM 255 HD1 HIS A 17 1.497 -9.171 -0.147 1.00 3.74 H ATOM 256 HD2 HIS A 17 1.335 -7.909 -4.103 1.00 4.12 H ATOM 257 HE1 HIS A 17 -0.248 -10.608 -1.245 1.00 5.16 H ATOM 258 HE2 HIS A 17 -0.215 -9.931 -3.668 1.00 5.29 H ATOM 259 N VAL A 18 1.405 -4.197 -0.161 1.00 1.42 N ATOM 260 CA VAL A 18 0.541 -3.771 0.929 1.00 1.64 C ATOM 261 C VAL A 18 -0.909 -3.700 0.462 1.00 1.68 C ATOM 262 O VAL A 18 -1.839 -3.912 1.242 1.00 2.19 O ATOM 263 CB VAL A 18 0.992 -2.409 1.504 1.00 1.79 C ATOM 264 CG1 VAL A 18 0.895 -1.306 0.458 1.00 2.51 C ATOM 265 CG2 VAL A 18 0.188 -2.053 2.746 1.00 2.52 C ATOM 266 H VAL A 18 1.996 -3.537 -0.587 1.00 1.27 H ATOM 267 HA VAL A 18 0.616 -4.511 1.714 1.00 2.00 H ATOM 268 HB VAL A 18 2.030 -2.497 1.794 1.00 1.75 H ATOM 269 HG11 VAL A 18 -0.133 -1.193 0.148 1.00 2.89 H ATOM 270 HG12 VAL A 18 1.501 -1.566 -0.396 1.00 3.06 H ATOM 271 HG13 VAL A 18 1.247 -0.378 0.880 1.00 2.90 H ATOM 272 HG21 VAL A 18 0.315 -2.825 3.489 1.00 2.98 H ATOM 273 HG22 VAL A 18 -0.857 -1.970 2.485 1.00 2.81 H ATOM 274 HG23 VAL A 18 0.535 -1.112 3.143 1.00 3.01 H ATOM 275 N CYS A 19 -1.095 -3.427 -0.819 1.00 1.57 N ATOM 276 CA CYS A 19 -2.417 -3.429 -1.406 1.00 1.91 C ATOM 277 C CYS A 19 -2.364 -3.994 -2.822 1.00 2.65 C ATOM 278 O CYS A 19 -1.912 -3.283 -3.744 1.00 3.17 O ATOM 279 CB CYS A 19 -3.036 -2.026 -1.377 1.00 1.69 C ATOM 280 SG CYS A 19 -2.035 -0.708 -2.149 1.00 1.79 S ATOM 281 OXT CYS A 19 -2.749 -5.169 -2.997 1.00 3.23 O ATOM 282 H CYS A 19 -0.320 -3.219 -1.384 1.00 1.62 H ATOM 283 HA CYS A 19 -3.029 -4.087 -0.807 1.00 2.34 H ATOM 284 HB2 CYS A 19 -3.983 -2.054 -1.893 1.00 1.86 H ATOM 285 HB3 CYS A 19 -3.206 -1.744 -0.347 1.00 2.15 H