USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 277 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A2963 SER OG : rot 53:sc= 0.153 USER MOD Single : A2971 SER OG : rot 180:sc= 0 USER MOD Single : A2986 GLN : amide:sc= 0.541 K(o=0.54,f=-6.8!) USER MOD Single : A2987 ASN : amide:sc= -0.0657 K(o=-0.066,f=-0.82) USER MOD Single : A2988 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 81 N ASP A2957 -6.824 4.157 -11.809 1.00 0.00 N ATOM 82 CA ASP A2957 -7.064 4.532 -13.216 1.00 0.00 C ATOM 83 C ASP A2957 -8.107 5.671 -13.267 1.00 0.00 C ATOM 84 O ASP A2957 -9.132 5.555 -12.604 1.00 0.00 O ATOM 85 CB ASP A2957 -7.565 3.289 -14.006 1.00 0.00 C ATOM 86 CG ASP A2957 -7.653 3.534 -15.522 1.00 0.00 C ATOM 87 OD1 ASP A2957 -6.589 3.566 -16.181 1.00 0.00 O ATOM 88 OD2 ASP A2957 -8.760 3.727 -16.056 1.00 0.00 O ATOM 0 HA ASP A2957 -6.139 4.882 -13.673 1.00 0.00 H new ATOM 0 HB2 ASP A2957 -6.894 2.451 -13.818 1.00 0.00 H new ATOM 0 HB3 ASP A2957 -8.548 3.000 -13.633 1.00 0.00 H new ATOM 93 N PRO A2958 -7.888 6.768 -14.073 1.00 0.00 N ATOM 94 CA PRO A2958 -8.846 7.907 -14.155 1.00 0.00 C ATOM 95 C PRO A2958 -10.241 7.460 -14.635 1.00 0.00 C ATOM 96 O PRO A2958 -11.263 8.000 -14.210 1.00 0.00 O ATOM 97 CB PRO A2958 -8.207 8.883 -15.178 1.00 0.00 C ATOM 98 CG PRO A2958 -6.778 8.450 -15.320 1.00 0.00 C ATOM 99 CD PRO A2958 -6.716 6.977 -14.962 1.00 0.00 C ATOM 0 HA PRO A2958 -9.006 8.361 -13.177 1.00 0.00 H new ATOM 0 HB2 PRO A2958 -8.725 8.840 -16.136 1.00 0.00 H new ATOM 0 HB3 PRO A2958 -8.270 9.913 -14.827 1.00 0.00 H new ATOM 0 HG2 PRO A2958 -6.426 8.613 -16.339 1.00 0.00 H new ATOM 0 HG3 PRO A2958 -6.133 9.033 -14.663 1.00 0.00 H new ATOM 0 HD2 PRO A2958 -6.773 6.348 -15.851 1.00 0.00 H new ATOM 0 HD3 PRO A2958 -5.783 6.729 -14.456 1.00 0.00 H new ATOM 107 N LEU A2959 -10.246 6.447 -15.516 1.00 0.00 N ATOM 108 CA LEU A2959 -11.463 5.918 -16.149 1.00 0.00 C ATOM 109 C LEU A2959 -11.949 4.627 -15.445 1.00 0.00 C ATOM 110 O LEU A2959 -12.696 3.840 -16.035 1.00 0.00 O ATOM 111 CB LEU A2959 -11.186 5.673 -17.662 1.00 0.00 C ATOM 112 CG LEU A2959 -11.257 6.918 -18.620 1.00 0.00 C ATOM 113 CD1 LEU A2959 -12.648 7.596 -18.590 1.00 0.00 C ATOM 114 CD2 LEU A2959 -10.136 7.946 -18.337 1.00 0.00 C ATOM 0 H LEU A2959 -9.396 5.968 -15.812 1.00 0.00 H new ATOM 0 HA LEU A2959 -12.265 6.650 -16.049 1.00 0.00 H new ATOM 0 HB2 LEU A2959 -10.194 5.232 -17.756 1.00 0.00 H new ATOM 0 HB3 LEU A2959 -11.900 4.931 -18.020 1.00 0.00 H new ATOM 0 HG LEU A2959 -11.097 6.532 -19.627 1.00 0.00 H new ATOM 0 HD11 LEU A2959 -12.651 8.451 -19.266 1.00 0.00 H new ATOM 0 HD12 LEU A2959 -13.408 6.881 -18.905 1.00 0.00 H new ATOM 0 HD13 LEU A2959 -12.866 7.934 -17.577 1.00 0.00 H new ATOM 0 HD21 LEU A2959 -10.230 8.786 -19.025 1.00 0.00 H new ATOM 0 HD22 LEU A2959 -10.223 8.306 -17.312 1.00 0.00 H new ATOM 0 HD23 LEU A2959 -9.164 7.472 -18.474 1.00 0.00 H new ATOM 126 N ALA A2960 -11.539 4.430 -14.176 1.00 0.00 N ATOM 127 CA ALA A2960 -11.977 3.273 -13.346 1.00 0.00 C ATOM 128 C ALA A2960 -13.429 3.435 -12.850 1.00 0.00 C ATOM 129 O ALA A2960 -14.019 2.490 -12.314 1.00 0.00 O ATOM 130 CB ALA A2960 -11.028 3.083 -12.147 1.00 0.00 C ATOM 0 H ALA A2960 -10.899 5.060 -13.693 1.00 0.00 H new ATOM 0 HA ALA A2960 -11.941 2.387 -13.980 1.00 0.00 H new ATOM 0 HB1 ALA A2960 -11.361 2.234 -11.550 1.00 0.00 H new ATOM 0 HB2 ALA A2960 -10.017 2.897 -12.509 1.00 0.00 H new ATOM 0 HB3 ALA A2960 -11.034 3.983 -11.532 1.00 0.00 H new ATOM 136 N GLY A2961 -13.997 4.642 -13.031 1.00 0.00 N ATOM 137 CA GLY A2961 -15.336 4.970 -12.547 1.00 0.00 C ATOM 138 C GLY A2961 -15.288 5.872 -11.322 1.00 0.00 C ATOM 139 O GLY A2961 -16.192 5.839 -10.481 1.00 0.00 O ATOM 0 H GLY A2961 -13.535 5.411 -13.517 1.00 0.00 H new ATOM 0 HA2 GLY A2961 -15.899 5.463 -13.340 1.00 0.00 H new ATOM 0 HA3 GLY A2961 -15.869 4.051 -12.302 1.00 0.00 H new ATOM 143 N ILE A2962 -14.222 6.698 -11.240 1.00 0.00 N ATOM 144 CA ILE A2962 -13.932 7.566 -10.079 1.00 0.00 C ATOM 145 C ILE A2962 -14.032 9.057 -10.449 1.00 0.00 C ATOM 146 O ILE A2962 -13.976 9.425 -11.632 1.00 0.00 O ATOM 147 CB ILE A2962 -12.500 7.277 -9.495 1.00 0.00 C ATOM 148 CG1 ILE A2962 -11.417 7.446 -10.605 1.00 0.00 C ATOM 149 CG2 ILE A2962 -12.438 5.877 -8.844 1.00 0.00 C ATOM 150 CD1 ILE A2962 -9.997 7.259 -10.128 1.00 0.00 C ATOM 0 H ILE A2962 -13.532 6.781 -11.986 1.00 0.00 H new ATOM 0 HA ILE A2962 -14.682 7.337 -9.322 1.00 0.00 H new ATOM 0 HB ILE A2962 -12.292 8.005 -8.711 1.00 0.00 H new ATOM 0 HG12 ILE A2962 -11.617 6.729 -11.402 1.00 0.00 H new ATOM 0 HG13 ILE A2962 -11.513 8.441 -11.040 1.00 0.00 H new ATOM 0 HG21 ILE A2962 -11.437 5.704 -8.449 1.00 0.00 H new ATOM 0 HG22 ILE A2962 -13.163 5.821 -8.032 1.00 0.00 H new ATOM 0 HG23 ILE A2962 -12.670 5.118 -9.591 1.00 0.00 H new ATOM 0 HD11 ILE A2962 -9.311 7.394 -10.965 1.00 0.00 H new ATOM 0 HD12 ILE A2962 -9.774 7.993 -9.354 1.00 0.00 H new ATOM 0 HD13 ILE A2962 -9.879 6.255 -9.721 1.00 0.00 H new ATOM 162 N SER A2963 -14.137 9.913 -9.422 1.00 0.00 N ATOM 163 CA SER A2963 -14.299 11.371 -9.587 1.00 0.00 C ATOM 164 C SER A2963 -12.967 12.124 -9.354 1.00 0.00 C ATOM 165 O SER A2963 -12.722 12.663 -8.270 1.00 0.00 O ATOM 166 CB SER A2963 -15.409 11.864 -8.626 1.00 0.00 C ATOM 167 OG SER A2963 -15.157 11.448 -7.286 1.00 0.00 O ATOM 0 H SER A2963 -14.112 9.615 -8.447 1.00 0.00 H new ATOM 0 HA SER A2963 -14.594 11.584 -10.614 1.00 0.00 H new ATOM 0 HB2 SER A2963 -15.471 12.952 -8.666 1.00 0.00 H new ATOM 0 HB3 SER A2963 -16.374 11.478 -8.953 1.00 0.00 H new ATOM 0 HG SER A2963 -14.251 11.717 -7.025 1.00 0.00 H new ATOM 173 N LEU A2964 -12.089 12.130 -10.374 1.00 0.00 N ATOM 174 CA LEU A2964 -10.849 12.925 -10.350 1.00 0.00 C ATOM 175 C LEU A2964 -11.112 14.319 -10.963 1.00 0.00 C ATOM 176 O LEU A2964 -11.625 14.402 -12.091 1.00 0.00 O ATOM 177 CB LEU A2964 -9.683 12.227 -11.114 1.00 0.00 C ATOM 178 CG LEU A2964 -9.217 10.849 -10.547 1.00 0.00 C ATOM 179 CD1 LEU A2964 -7.927 10.360 -11.234 1.00 0.00 C ATOM 180 CD2 LEU A2964 -9.038 10.887 -9.016 1.00 0.00 C ATOM 0 H LEU A2964 -12.218 11.590 -11.229 1.00 0.00 H new ATOM 0 HA LEU A2964 -10.544 13.023 -9.308 1.00 0.00 H new ATOM 0 HB2 LEU A2964 -9.988 12.086 -12.151 1.00 0.00 H new ATOM 0 HB3 LEU A2964 -8.827 12.901 -11.123 1.00 0.00 H new ATOM 0 HG LEU A2964 -10.010 10.135 -10.770 1.00 0.00 H new ATOM 0 HD11 LEU A2964 -7.633 9.398 -10.814 1.00 0.00 H new ATOM 0 HD12 LEU A2964 -8.104 10.250 -12.304 1.00 0.00 H new ATOM 0 HD13 LEU A2964 -7.130 11.086 -11.071 1.00 0.00 H new ATOM 0 HD21 LEU A2964 -8.713 9.908 -8.663 1.00 0.00 H new ATOM 0 HD22 LEU A2964 -8.288 11.634 -8.756 1.00 0.00 H new ATOM 0 HD23 LEU A2964 -9.986 11.146 -8.545 1.00 0.00 H new ATOM 192 N PRO A2965 -10.791 15.426 -10.221 1.00 0.00 N ATOM 193 CA PRO A2965 -10.829 16.811 -10.766 1.00 0.00 C ATOM 194 C PRO A2965 -9.823 17.037 -11.928 1.00 0.00 C ATOM 195 O PRO A2965 -8.982 16.171 -12.228 1.00 0.00 O ATOM 196 CB PRO A2965 -10.476 17.703 -9.536 1.00 0.00 C ATOM 197 CG PRO A2965 -10.694 16.825 -8.338 1.00 0.00 C ATOM 198 CD PRO A2965 -10.399 15.416 -8.795 1.00 0.00 C ATOM 0 HA PRO A2965 -11.800 17.041 -11.205 1.00 0.00 H new ATOM 0 HB2 PRO A2965 -9.445 18.052 -9.586 1.00 0.00 H new ATOM 0 HB3 PRO A2965 -11.111 18.588 -9.496 1.00 0.00 H new ATOM 0 HG2 PRO A2965 -10.037 17.115 -7.517 1.00 0.00 H new ATOM 0 HG3 PRO A2965 -11.717 16.910 -7.973 1.00 0.00 H new ATOM 0 HD2 PRO A2965 -9.345 15.166 -8.670 1.00 0.00 H new ATOM 0 HD3 PRO A2965 -10.970 14.682 -8.227 1.00 0.00 H new ATOM 206 N GLU A2966 -9.914 18.219 -12.556 1.00 0.00 N ATOM 207 CA GLU A2966 -9.092 18.577 -13.725 1.00 0.00 C ATOM 208 C GLU A2966 -7.606 18.760 -13.336 1.00 0.00 C ATOM 209 O GLU A2966 -7.290 19.329 -12.276 1.00 0.00 O ATOM 210 CB GLU A2966 -9.647 19.868 -14.388 1.00 0.00 C ATOM 211 CG GLU A2966 -8.918 20.308 -15.683 1.00 0.00 C ATOM 212 CD GLU A2966 -9.047 19.291 -16.838 1.00 0.00 C ATOM 213 OE1 GLU A2966 -10.049 19.352 -17.582 1.00 0.00 O ATOM 214 OE2 GLU A2966 -8.164 18.414 -16.995 1.00 0.00 O ATOM 0 H GLU A2966 -10.559 18.955 -12.269 1.00 0.00 H new ATOM 0 HA GLU A2966 -9.145 17.758 -14.442 1.00 0.00 H new ATOM 0 HB2 GLU A2966 -10.702 19.715 -14.617 1.00 0.00 H new ATOM 0 HB3 GLU A2966 -9.592 20.682 -13.665 1.00 0.00 H new ATOM 0 HG2 GLU A2966 -9.319 21.268 -16.008 1.00 0.00 H new ATOM 0 HG3 GLU A2966 -7.862 20.462 -15.462 1.00 0.00 H new ATOM 221 N GLY A2967 -6.710 18.257 -14.210 1.00 0.00 N ATOM 222 CA GLY A2967 -5.258 18.387 -14.028 1.00 0.00 C ATOM 223 C GLY A2967 -4.655 17.390 -13.042 1.00 0.00 C ATOM 224 O GLY A2967 -3.433 17.372 -12.851 1.00 0.00 O ATOM 0 H GLY A2967 -6.975 17.753 -15.056 1.00 0.00 H new ATOM 0 HA2 GLY A2967 -4.770 18.264 -14.995 1.00 0.00 H new ATOM 0 HA3 GLY A2967 -5.036 19.398 -13.686 1.00 0.00 H new ATOM 228 N VAL A2968 -5.503 16.567 -12.397 1.00 0.00 N ATOM 229 CA VAL A2968 -5.063 15.631 -11.354 1.00 0.00 C ATOM 230 C VAL A2968 -4.669 14.285 -11.987 1.00 0.00 C ATOM 231 O VAL A2968 -5.540 13.482 -12.354 1.00 0.00 O ATOM 232 CB VAL A2968 -6.171 15.429 -10.250 1.00 0.00 C ATOM 233 CG1 VAL A2968 -5.650 14.573 -9.072 1.00 0.00 C ATOM 234 CG2 VAL A2968 -6.704 16.790 -9.742 1.00 0.00 C ATOM 0 H VAL A2968 -6.505 16.534 -12.585 1.00 0.00 H new ATOM 0 HA VAL A2968 -4.190 16.059 -10.861 1.00 0.00 H new ATOM 0 HB VAL A2968 -6.997 14.889 -10.713 1.00 0.00 H new ATOM 0 HG11 VAL A2968 -6.440 14.455 -8.331 1.00 0.00 H new ATOM 0 HG12 VAL A2968 -5.348 13.592 -9.440 1.00 0.00 H new ATOM 0 HG13 VAL A2968 -4.794 15.068 -8.614 1.00 0.00 H new ATOM 0 HG21 VAL A2968 -7.467 16.621 -8.982 1.00 0.00 H new ATOM 0 HG22 VAL A2968 -5.884 17.364 -9.312 1.00 0.00 H new ATOM 0 HG23 VAL A2968 -7.138 17.344 -10.574 1.00 0.00 H new ATOM 244 N ASP A2969 -3.351 14.084 -12.163 1.00 0.00 N ATOM 245 CA ASP A2969 -2.779 12.811 -12.643 1.00 0.00 C ATOM 246 C ASP A2969 -2.922 11.734 -11.545 1.00 0.00 C ATOM 247 O ASP A2969 -2.669 12.024 -10.376 1.00 0.00 O ATOM 248 CB ASP A2969 -1.268 12.969 -12.996 1.00 0.00 C ATOM 249 CG ASP A2969 -1.008 14.015 -14.085 1.00 0.00 C ATOM 250 OD1 ASP A2969 -1.010 15.226 -13.775 1.00 0.00 O ATOM 251 OD2 ASP A2969 -0.824 13.635 -15.262 1.00 0.00 O ATOM 0 H ASP A2969 -2.650 14.801 -11.976 1.00 0.00 H new ATOM 0 HA ASP A2969 -3.321 12.515 -13.541 1.00 0.00 H new ATOM 0 HB2 ASP A2969 -0.719 13.246 -12.096 1.00 0.00 H new ATOM 0 HB3 ASP A2969 -0.876 12.007 -13.325 1.00 0.00 H new ATOM 256 N PRO A2970 -3.295 10.466 -11.904 1.00 0.00 N ATOM 257 CA PRO A2970 -3.294 9.333 -10.945 1.00 0.00 C ATOM 258 C PRO A2970 -1.867 8.807 -10.690 1.00 0.00 C ATOM 259 O PRO A2970 -1.670 7.924 -9.858 1.00 0.00 O ATOM 260 CB PRO A2970 -4.160 8.282 -11.663 1.00 0.00 C ATOM 261 CG PRO A2970 -3.835 8.512 -13.104 1.00 0.00 C ATOM 262 CD PRO A2970 -3.757 10.022 -13.252 1.00 0.00 C ATOM 0 HA PRO A2970 -3.671 9.604 -9.959 1.00 0.00 H new ATOM 0 HB2 PRO A2970 -3.910 7.269 -11.349 1.00 0.00 H new ATOM 0 HB3 PRO A2970 -5.221 8.426 -11.460 1.00 0.00 H new ATOM 0 HG2 PRO A2970 -2.891 8.039 -13.376 1.00 0.00 H new ATOM 0 HG3 PRO A2970 -4.602 8.091 -13.754 1.00 0.00 H new ATOM 0 HD2 PRO A2970 -3.058 10.316 -14.035 1.00 0.00 H new ATOM 0 HD3 PRO A2970 -4.724 10.453 -13.510 1.00 0.00 H new ATOM 270 N SER A2971 -0.886 9.367 -11.429 1.00 0.00 N ATOM 271 CA SER A2971 0.517 8.967 -11.359 1.00 0.00 C ATOM 272 C SER A2971 1.074 9.191 -9.941 1.00 0.00 C ATOM 273 O SER A2971 1.415 8.228 -9.254 1.00 0.00 O ATOM 274 CB SER A2971 1.319 9.760 -12.410 1.00 0.00 C ATOM 275 OG SER A2971 0.706 9.681 -13.688 1.00 0.00 O ATOM 0 H SER A2971 -1.059 10.119 -12.097 1.00 0.00 H new ATOM 0 HA SER A2971 0.607 7.903 -11.577 1.00 0.00 H new ATOM 0 HB2 SER A2971 1.394 10.803 -12.103 1.00 0.00 H new ATOM 0 HB3 SER A2971 2.335 9.370 -12.466 1.00 0.00 H new ATOM 0 HG SER A2971 1.233 10.194 -14.336 1.00 0.00 H new ATOM 281 N PHE A2972 1.053 10.457 -9.477 1.00 0.00 N ATOM 282 CA PHE A2972 1.486 10.807 -8.106 1.00 0.00 C ATOM 283 C PHE A2972 0.430 10.357 -7.084 1.00 0.00 C ATOM 284 O PHE A2972 0.752 9.998 -5.960 1.00 0.00 O ATOM 285 CB PHE A2972 1.755 12.343 -7.968 1.00 0.00 C ATOM 286 CG PHE A2972 0.529 13.273 -8.166 1.00 0.00 C ATOM 287 CD1 PHE A2972 0.158 13.707 -9.438 1.00 0.00 C ATOM 288 CD2 PHE A2972 -0.236 13.714 -7.079 1.00 0.00 C ATOM 289 CE1 PHE A2972 -0.928 14.541 -9.616 1.00 0.00 C ATOM 290 CE2 PHE A2972 -1.325 14.547 -7.266 1.00 0.00 C ATOM 291 CZ PHE A2972 -1.670 14.958 -8.535 1.00 0.00 C ATOM 0 H PHE A2972 0.741 11.255 -10.031 1.00 0.00 H new ATOM 0 HA PHE A2972 2.421 10.284 -7.905 1.00 0.00 H new ATOM 0 HB2 PHE A2972 2.171 12.530 -6.978 1.00 0.00 H new ATOM 0 HB3 PHE A2972 2.519 12.624 -8.693 1.00 0.00 H new ATOM 0 HD1 PHE A2972 0.729 13.386 -10.297 1.00 0.00 H new ATOM 0 HD2 PHE A2972 0.028 13.399 -6.080 1.00 0.00 H new ATOM 0 HE1 PHE A2972 -1.197 14.868 -10.610 1.00 0.00 H new ATOM 0 HE2 PHE A2972 -1.905 14.875 -6.416 1.00 0.00 H new ATOM 0 HZ PHE A2972 -2.521 15.606 -8.681 1.00 0.00 H new ATOM 301 N LEU A2973 -0.836 10.373 -7.519 1.00 0.00 N ATOM 302 CA LEU A2973 -2.004 10.197 -6.644 1.00 0.00 C ATOM 303 C LEU A2973 -2.108 8.749 -6.111 1.00 0.00 C ATOM 304 O LEU A2973 -2.565 8.522 -4.987 1.00 0.00 O ATOM 305 CB LEU A2973 -3.276 10.600 -7.442 1.00 0.00 C ATOM 306 CG LEU A2973 -4.496 11.093 -6.616 1.00 0.00 C ATOM 307 CD1 LEU A2973 -4.173 12.403 -5.865 1.00 0.00 C ATOM 308 CD2 LEU A2973 -5.731 11.261 -7.514 1.00 0.00 C ATOM 0 H LEU A2973 -1.082 10.510 -8.499 1.00 0.00 H new ATOM 0 HA LEU A2973 -1.900 10.837 -5.768 1.00 0.00 H new ATOM 0 HB2 LEU A2973 -3.001 11.387 -8.144 1.00 0.00 H new ATOM 0 HB3 LEU A2973 -3.592 9.741 -8.034 1.00 0.00 H new ATOM 0 HG LEU A2973 -4.722 10.333 -5.868 1.00 0.00 H new ATOM 0 HD11 LEU A2973 -5.047 12.722 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A2973 -3.338 12.236 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A2973 -3.905 13.178 -6.583 1.00 0.00 H new ATOM 0 HD21 LEU A2973 -6.573 11.607 -6.914 1.00 0.00 H new ATOM 0 HD22 LEU A2973 -5.517 11.992 -8.294 1.00 0.00 H new ATOM 0 HD23 LEU A2973 -5.981 10.304 -7.972 1.00 0.00 H new ATOM 320 N ALA A2974 -1.687 7.781 -6.939 1.00 0.00 N ATOM 321 CA ALA A2974 -1.669 6.352 -6.571 1.00 0.00 C ATOM 322 C ALA A2974 -0.289 5.923 -6.033 1.00 0.00 C ATOM 323 O ALA A2974 -0.214 5.081 -5.137 1.00 0.00 O ATOM 324 CB ALA A2974 -2.068 5.491 -7.779 1.00 0.00 C ATOM 0 H ALA A2974 -1.349 7.964 -7.884 1.00 0.00 H new ATOM 0 HA ALA A2974 -2.394 6.201 -5.771 1.00 0.00 H new ATOM 0 HB1 ALA A2974 -2.052 4.438 -7.497 1.00 0.00 H new ATOM 0 HB2 ALA A2974 -3.072 5.764 -8.105 1.00 0.00 H new ATOM 0 HB3 ALA A2974 -1.364 5.659 -8.594 1.00 0.00 H new ATOM 330 N ALA A2975 0.800 6.505 -6.596 1.00 0.00 N ATOM 331 CA ALA A2975 2.190 6.128 -6.236 1.00 0.00 C ATOM 332 C ALA A2975 2.543 6.553 -4.804 1.00 0.00 C ATOM 333 O ALA A2975 3.232 5.832 -4.080 1.00 0.00 O ATOM 334 CB ALA A2975 3.175 6.753 -7.227 1.00 0.00 C ATOM 0 H ALA A2975 0.741 7.239 -7.302 1.00 0.00 H new ATOM 0 HA ALA A2975 2.263 5.042 -6.286 1.00 0.00 H new ATOM 0 HB1 ALA A2975 4.192 6.471 -6.955 1.00 0.00 H new ATOM 0 HB2 ALA A2975 2.956 6.395 -8.233 1.00 0.00 H new ATOM 0 HB3 ALA A2975 3.079 7.838 -7.199 1.00 0.00 H new ATOM 340 N LEU A2976 2.074 7.743 -4.422 1.00 0.00 N ATOM 341 CA LEU A2976 2.272 8.297 -3.073 1.00 0.00 C ATOM 342 C LEU A2976 1.104 7.838 -2.163 1.00 0.00 C ATOM 343 O LEU A2976 -0.026 7.718 -2.660 1.00 0.00 O ATOM 344 CB LEU A2976 2.346 9.843 -3.169 1.00 0.00 C ATOM 345 CG LEU A2976 3.412 10.424 -4.153 1.00 0.00 C ATOM 346 CD1 LEU A2976 3.333 11.957 -4.212 1.00 0.00 C ATOM 347 CD2 LEU A2976 4.838 9.954 -3.794 1.00 0.00 C ATOM 0 H LEU A2976 1.543 8.356 -5.041 1.00 0.00 H new ATOM 0 HA LEU A2976 3.205 7.937 -2.639 1.00 0.00 H new ATOM 0 HB2 LEU A2976 1.366 10.215 -3.468 1.00 0.00 H new ATOM 0 HB3 LEU A2976 2.547 10.239 -2.173 1.00 0.00 H new ATOM 0 HG LEU A2976 3.183 10.036 -5.146 1.00 0.00 H new ATOM 0 HD11 LEU A2976 4.086 12.334 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A2976 2.343 12.257 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A2976 3.514 12.369 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A2976 5.550 10.379 -4.501 1.00 0.00 H new ATOM 0 HD22 LEU A2976 5.087 10.284 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A2976 4.885 8.866 -3.841 1.00 0.00 H new ATOM 359 N PRO A2977 1.345 7.577 -0.823 1.00 0.00 N ATOM 360 CA PRO A2977 0.294 7.076 0.110 1.00 0.00 C ATOM 361 C PRO A2977 -0.929 8.014 0.230 1.00 0.00 C ATOM 362 O PRO A2977 -0.884 9.179 -0.183 1.00 0.00 O ATOM 363 CB PRO A2977 1.035 6.925 1.471 1.00 0.00 C ATOM 364 CG PRO A2977 2.261 7.783 1.341 1.00 0.00 C ATOM 365 CD PRO A2977 2.652 7.736 -0.124 1.00 0.00 C ATOM 0 HA PRO A2977 -0.136 6.142 -0.251 1.00 0.00 H new ATOM 0 HB2 PRO A2977 0.409 7.254 2.300 1.00 0.00 H new ATOM 0 HB3 PRO A2977 1.299 5.885 1.664 1.00 0.00 H new ATOM 0 HG2 PRO A2977 2.057 8.806 1.657 1.00 0.00 H new ATOM 0 HG3 PRO A2977 3.067 7.409 1.972 1.00 0.00 H new ATOM 0 HD2 PRO A2977 3.165 8.647 -0.433 1.00 0.00 H new ATOM 0 HD3 PRO A2977 3.324 6.904 -0.334 1.00 0.00 H new ATOM 373 N ASP A2978 -2.010 7.489 0.837 1.00 0.00 N ATOM 374 CA ASP A2978 -3.320 8.172 0.894 1.00 0.00 C ATOM 375 C ASP A2978 -3.266 9.512 1.658 1.00 0.00 C ATOM 376 O ASP A2978 -4.041 10.419 1.362 1.00 0.00 O ATOM 377 CB ASP A2978 -4.400 7.246 1.511 1.00 0.00 C ATOM 378 CG ASP A2978 -4.155 6.915 2.997 1.00 0.00 C ATOM 379 OD1 ASP A2978 -3.235 6.126 3.292 1.00 0.00 O ATOM 380 OD2 ASP A2978 -4.877 7.441 3.870 1.00 0.00 O ATOM 0 H ASP A2978 -2.002 6.581 1.302 1.00 0.00 H new ATOM 0 HA ASP A2978 -3.591 8.402 -0.136 1.00 0.00 H new ATOM 0 HB2 ASP A2978 -5.375 7.722 1.410 1.00 0.00 H new ATOM 0 HB3 ASP A2978 -4.438 6.317 0.942 1.00 0.00 H new ATOM 385 N ASP A2979 -2.325 9.611 2.606 1.00 0.00 N ATOM 386 CA ASP A2979 -2.189 10.756 3.524 1.00 0.00 C ATOM 387 C ASP A2979 -1.869 12.067 2.774 1.00 0.00 C ATOM 388 O ASP A2979 -2.614 13.056 2.874 1.00 0.00 O ATOM 389 CB ASP A2979 -1.070 10.442 4.550 1.00 0.00 C ATOM 390 CG ASP A2979 -1.338 9.169 5.370 1.00 0.00 C ATOM 391 OD1 ASP A2979 -1.168 8.057 4.823 1.00 0.00 O ATOM 392 OD2 ASP A2979 -1.734 9.269 6.554 1.00 0.00 O ATOM 0 H ASP A2979 -1.624 8.887 2.761 1.00 0.00 H new ATOM 0 HA ASP A2979 -3.142 10.904 4.033 1.00 0.00 H new ATOM 0 HB2 ASP A2979 -0.122 10.333 4.022 1.00 0.00 H new ATOM 0 HB3 ASP A2979 -0.961 11.288 5.229 1.00 0.00 H new ATOM 397 N ILE A2980 -0.790 12.068 1.974 1.00 0.00 N ATOM 398 CA ILE A2980 -0.410 13.285 1.233 1.00 0.00 C ATOM 399 C ILE A2980 -1.225 13.407 -0.059 1.00 0.00 C ATOM 400 O ILE A2980 -1.407 14.503 -0.551 1.00 0.00 O ATOM 401 CB ILE A2980 1.140 13.442 0.930 1.00 0.00 C ATOM 402 CG1 ILE A2980 1.638 12.526 -0.221 1.00 0.00 C ATOM 403 CG2 ILE A2980 1.981 13.224 2.209 1.00 0.00 C ATOM 404 CD1 ILE A2980 1.635 11.058 0.104 1.00 0.00 C ATOM 0 H ILE A2980 -0.179 11.265 1.825 1.00 0.00 H new ATOM 0 HA ILE A2980 -0.648 14.107 1.908 1.00 0.00 H new ATOM 0 HB ILE A2980 1.278 14.468 0.588 1.00 0.00 H new ATOM 0 HG12 ILE A2980 1.012 12.692 -1.097 1.00 0.00 H new ATOM 0 HG13 ILE A2980 2.651 12.823 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A2980 3.039 13.337 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A2980 1.696 13.960 2.961 1.00 0.00 H new ATOM 0 HG23 ILE A2980 1.801 12.221 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A2980 1.997 10.494 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE A2980 2.285 10.873 0.959 1.00 0.00 H new ATOM 0 HD13 ILE A2980 0.620 10.741 0.344 1.00 0.00 H new ATOM 416 N ARG A2981 -1.733 12.278 -0.600 1.00 0.00 N ATOM 417 CA ARG A2981 -2.512 12.315 -1.855 1.00 0.00 C ATOM 418 C ARG A2981 -3.883 12.988 -1.614 1.00 0.00 C ATOM 419 O ARG A2981 -4.410 13.668 -2.507 1.00 0.00 O ATOM 420 CB ARG A2981 -2.605 10.894 -2.516 1.00 0.00 C ATOM 421 CG ARG A2981 -3.824 9.982 -2.157 1.00 0.00 C ATOM 422 CD ARG A2981 -5.067 10.249 -3.022 1.00 0.00 C ATOM 423 NE ARG A2981 -6.117 9.230 -2.867 1.00 0.00 N ATOM 424 CZ ARG A2981 -6.628 8.506 -3.875 1.00 0.00 C ATOM 425 NH1 ARG A2981 -6.084 8.536 -5.084 1.00 0.00 N ATOM 426 NH2 ARG A2981 -7.660 7.714 -3.655 1.00 0.00 N ATOM 0 H ARG A2981 -1.621 11.348 -0.196 1.00 0.00 H new ATOM 0 HA ARG A2981 -1.989 12.933 -2.585 1.00 0.00 H new ATOM 0 HB2 ARG A2981 -2.600 11.031 -3.597 1.00 0.00 H new ATOM 0 HB3 ARG A2981 -1.696 10.349 -2.260 1.00 0.00 H new ATOM 0 HG2 ARG A2981 -3.531 8.938 -2.268 1.00 0.00 H new ATOM 0 HG3 ARG A2981 -4.082 10.131 -1.109 1.00 0.00 H new ATOM 0 HD2 ARG A2981 -5.477 11.225 -2.764 1.00 0.00 H new ATOM 0 HD3 ARG A2981 -4.768 10.296 -4.069 1.00 0.00 H new ATOM 0 HE ARG A2981 -6.482 9.062 -1.929 1.00 0.00 H new ATOM 0 HH11 ARG A2981 -5.264 9.116 -5.260 1.00 0.00 H new ATOM 0 HH12 ARG A2981 -6.486 7.979 -5.838 1.00 0.00 H new ATOM 0 HH21 ARG A2981 -8.067 7.654 -2.722 1.00 0.00 H new ATOM 0 HH22 ARG A2981 -8.051 7.162 -4.418 1.00 0.00 H new ATOM 440 N ARG A2982 -4.446 12.826 -0.392 1.00 0.00 N ATOM 441 CA ARG A2982 -5.680 13.534 -0.011 1.00 0.00 C ATOM 442 C ARG A2982 -5.383 15.012 0.281 1.00 0.00 C ATOM 443 O ARG A2982 -6.181 15.876 -0.086 1.00 0.00 O ATOM 444 CB ARG A2982 -6.413 12.885 1.200 1.00 0.00 C ATOM 445 CG ARG A2982 -5.644 12.924 2.545 1.00 0.00 C ATOM 446 CD ARG A2982 -6.532 12.634 3.766 1.00 0.00 C ATOM 447 NE ARG A2982 -7.546 13.695 3.962 1.00 0.00 N ATOM 448 CZ ARG A2982 -8.200 13.963 5.109 1.00 0.00 C ATOM 449 NH1 ARG A2982 -7.957 13.278 6.223 1.00 0.00 N ATOM 450 NH2 ARG A2982 -9.091 14.940 5.142 1.00 0.00 N ATOM 0 H ARG A2982 -4.067 12.218 0.334 1.00 0.00 H new ATOM 0 HA ARG A2982 -6.354 13.456 -0.864 1.00 0.00 H new ATOM 0 HB2 ARG A2982 -7.371 13.388 1.334 1.00 0.00 H new ATOM 0 HB3 ARG A2982 -6.630 11.845 0.956 1.00 0.00 H new ATOM 0 HG2 ARG A2982 -4.834 12.195 2.513 1.00 0.00 H new ATOM 0 HG3 ARG A2982 -5.185 13.905 2.664 1.00 0.00 H new ATOM 0 HD2 ARG A2982 -7.030 11.673 3.636 1.00 0.00 H new ATOM 0 HD3 ARG A2982 -5.911 12.553 4.658 1.00 0.00 H new ATOM 0 HE ARG A2982 -7.770 14.276 3.154 1.00 0.00 H new ATOM 0 HH11 ARG A2982 -7.262 12.531 6.221 1.00 0.00 H new ATOM 0 HH12 ARG A2982 -8.465 13.500 7.079 1.00 0.00 H new ATOM 0 HH21 ARG A2982 -9.280 15.486 4.302 1.00 0.00 H new ATOM 0 HH22 ARG A2982 -9.589 15.147 6.008 1.00 0.00 H new ATOM 464 N GLU A2983 -4.222 15.307 0.937 1.00 0.00 N ATOM 465 CA GLU A2983 -3.874 16.699 1.286 1.00 0.00 C ATOM 466 C GLU A2983 -3.597 17.528 0.025 1.00 0.00 C ATOM 467 O GLU A2983 -4.011 18.663 -0.030 1.00 0.00 O ATOM 468 CB GLU A2983 -2.700 16.796 2.314 1.00 0.00 C ATOM 469 CG GLU A2983 -1.268 16.755 1.746 1.00 0.00 C ATOM 470 CD GLU A2983 -0.178 16.814 2.831 1.00 0.00 C ATOM 471 OE1 GLU A2983 -0.032 15.841 3.591 1.00 0.00 O ATOM 472 OE2 GLU A2983 0.523 17.845 2.940 1.00 0.00 O ATOM 0 H GLU A2983 -3.533 14.612 1.224 1.00 0.00 H new ATOM 0 HA GLU A2983 -4.744 17.124 1.787 1.00 0.00 H new ATOM 0 HB2 GLU A2983 -2.816 17.724 2.874 1.00 0.00 H new ATOM 0 HB3 GLU A2983 -2.805 15.978 3.027 1.00 0.00 H new ATOM 0 HG2 GLU A2983 -1.142 15.842 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A2983 -1.133 17.591 1.060 1.00 0.00 H new ATOM 479 N VAL A2984 -2.945 16.932 -0.999 1.00 0.00 N ATOM 480 CA VAL A2984 -2.661 17.630 -2.272 1.00 0.00 C ATOM 481 C VAL A2984 -3.968 17.864 -3.052 1.00 0.00 C ATOM 482 O VAL A2984 -4.119 18.884 -3.712 1.00 0.00 O ATOM 483 CB VAL A2984 -1.593 16.878 -3.170 1.00 0.00 C ATOM 484 CG1 VAL A2984 -0.263 16.691 -2.411 1.00 0.00 C ATOM 485 CG2 VAL A2984 -2.121 15.534 -3.721 1.00 0.00 C ATOM 0 H VAL A2984 -2.606 15.970 -0.968 1.00 0.00 H new ATOM 0 HA VAL A2984 -2.217 18.592 -2.015 1.00 0.00 H new ATOM 0 HB VAL A2984 -1.404 17.514 -4.035 1.00 0.00 H new ATOM 0 HG11 VAL A2984 0.451 16.172 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A2984 0.138 17.666 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A2984 -0.438 16.102 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL A2984 -1.349 15.062 -4.329 1.00 0.00 H new ATOM 0 HG22 VAL A2984 -2.382 14.878 -2.891 1.00 0.00 H new ATOM 0 HG23 VAL A2984 -3.005 15.714 -4.333 1.00 0.00 H new ATOM 495 N LEU A2985 -4.927 16.918 -2.938 1.00 0.00 N ATOM 496 CA LEU A2985 -6.271 17.069 -3.530 1.00 0.00 C ATOM 497 C LEU A2985 -7.010 18.288 -2.916 1.00 0.00 C ATOM 498 O LEU A2985 -7.675 19.054 -3.616 1.00 0.00 O ATOM 499 CB LEU A2985 -7.084 15.770 -3.302 1.00 0.00 C ATOM 500 CG LEU A2985 -8.485 15.685 -3.992 1.00 0.00 C ATOM 501 CD1 LEU A2985 -8.352 15.685 -5.527 1.00 0.00 C ATOM 502 CD2 LEU A2985 -9.276 14.450 -3.502 1.00 0.00 C ATOM 0 H LEU A2985 -4.792 16.039 -2.439 1.00 0.00 H new ATOM 0 HA LEU A2985 -6.168 17.245 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A2985 -6.484 14.928 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A2985 -7.225 15.642 -2.229 1.00 0.00 H new ATOM 0 HG LEU A2985 -9.047 16.574 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A2985 -9.342 15.625 -5.978 1.00 0.00 H new ATOM 0 HD12 LEU A2985 -7.861 16.603 -5.850 1.00 0.00 H new ATOM 0 HD13 LEU A2985 -7.758 14.827 -5.841 1.00 0.00 H new ATOM 0 HD21 LEU A2985 -10.245 14.418 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A2985 -8.718 13.544 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A2985 -9.423 14.516 -2.424 1.00 0.00 H new ATOM 514 N GLN A2986 -6.855 18.463 -1.593 1.00 0.00 N ATOM 515 CA GLN A2986 -7.502 19.554 -0.835 1.00 0.00 C ATOM 516 C GLN A2986 -6.752 20.893 -1.014 1.00 0.00 C ATOM 517 O GLN A2986 -7.372 21.949 -1.123 1.00 0.00 O ATOM 518 CB GLN A2986 -7.573 19.171 0.666 1.00 0.00 C ATOM 519 CG GLN A2986 -8.461 17.941 0.961 1.00 0.00 C ATOM 520 CD GLN A2986 -8.407 17.442 2.409 1.00 0.00 C ATOM 521 OE1 GLN A2986 -8.553 16.244 2.663 1.00 0.00 O ATOM 522 NE2 GLN A2986 -8.226 18.339 3.375 1.00 0.00 N ATOM 0 H GLN A2986 -6.277 17.852 -1.015 1.00 0.00 H new ATOM 0 HA GLN A2986 -8.511 19.690 -1.225 1.00 0.00 H new ATOM 0 HB2 GLN A2986 -6.564 18.973 1.028 1.00 0.00 H new ATOM 0 HB3 GLN A2986 -7.952 20.023 1.230 1.00 0.00 H new ATOM 0 HG2 GLN A2986 -9.494 18.189 0.715 1.00 0.00 H new ATOM 0 HG3 GLN A2986 -8.162 17.128 0.300 1.00 0.00 H new ATOM 0 HE21 GLN A2986 -8.107 19.324 3.140 1.00 0.00 H new ATOM 0 HE22 GLN A2986 -8.206 18.041 4.350 1.00 0.00 H new ATOM 531 N ASN A2987 -5.416 20.833 -1.069 1.00 0.00 N ATOM 532 CA ASN A2987 -4.548 22.027 -1.124 1.00 0.00 C ATOM 533 C ASN A2987 -4.584 22.674 -2.515 1.00 0.00 C ATOM 534 O ASN A2987 -4.584 23.899 -2.634 1.00 0.00 O ATOM 535 CB ASN A2987 -3.084 21.669 -0.729 1.00 0.00 C ATOM 536 CG ASN A2987 -2.889 21.356 0.761 1.00 0.00 C ATOM 537 OD1 ASN A2987 -3.620 21.852 1.617 1.00 0.00 O ATOM 538 ND2 ASN A2987 -1.897 20.531 1.086 1.00 0.00 N ATOM 0 H ASN A2987 -4.899 19.953 -1.077 1.00 0.00 H new ATOM 0 HA ASN A2987 -4.933 22.749 -0.403 1.00 0.00 H new ATOM 0 HB2 ASN A2987 -2.763 20.807 -1.314 1.00 0.00 H new ATOM 0 HB3 ASN A2987 -2.433 22.500 -1.002 1.00 0.00 H new ATOM 0 HD21 ASN A2987 -1.728 20.297 2.064 1.00 0.00 H new ATOM 0 HD22 ASN A2987 -1.305 20.133 0.357 1.00 0.00 H new ATOM 545 N GLN A2988 -4.617 21.837 -3.561 1.00 0.00 N ATOM 546 CA GLN A2988 -4.629 22.299 -4.961 1.00 0.00 C ATOM 547 C GLN A2988 -6.062 22.658 -5.416 1.00 0.00 C ATOM 548 O GLN A2988 -6.302 23.746 -5.951 1.00 0.00 O ATOM 549 CB GLN A2988 -4.014 21.210 -5.881 1.00 0.00 C ATOM 550 CG GLN A2988 -2.510 20.933 -5.620 1.00 0.00 C ATOM 551 CD GLN A2988 -1.937 19.768 -6.442 1.00 0.00 C ATOM 552 OE1 GLN A2988 -1.028 19.062 -5.994 1.00 0.00 O ATOM 553 NE2 GLN A2988 -2.414 19.580 -7.668 1.00 0.00 N ATOM 0 H GLN A2988 -4.636 20.822 -3.464 1.00 0.00 H new ATOM 0 HA GLN A2988 -4.025 23.203 -5.033 1.00 0.00 H new ATOM 0 HB2 GLN A2988 -4.571 20.282 -5.750 1.00 0.00 H new ATOM 0 HB3 GLN A2988 -4.141 21.514 -6.920 1.00 0.00 H new ATOM 0 HG2 GLN A2988 -1.941 21.836 -5.843 1.00 0.00 H new ATOM 0 HG3 GLN A2988 -2.369 20.720 -4.560 1.00 0.00 H new ATOM 0 HE21 GLN A2988 -3.165 20.174 -8.020 1.00 0.00 H new ATOM 0 HE22 GLN A2988 -2.029 18.842 -8.257 1.00 0.00 H new ATOM 562 N LEU A2989 -7.013 21.730 -5.193 1.00 0.00 N ATOM 563 CA LEU A2989 -8.400 21.869 -5.703 1.00 0.00 C ATOM 564 C LEU A2989 -9.322 22.468 -4.631 1.00 0.00 C ATOM 565 O LEU A2989 -10.057 23.425 -4.907 1.00 0.00 O ATOM 566 CB LEU A2989 -8.975 20.505 -6.184 1.00 0.00 C ATOM 567 CG LEU A2989 -8.221 19.762 -7.340 1.00 0.00 C ATOM 568 CD1 LEU A2989 -7.957 20.686 -8.548 1.00 0.00 C ATOM 569 CD2 LEU A2989 -6.928 19.076 -6.848 1.00 0.00 C ATOM 0 H LEU A2989 -6.850 20.874 -4.663 1.00 0.00 H new ATOM 0 HA LEU A2989 -8.359 22.545 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU A2989 -9.013 19.836 -5.325 1.00 0.00 H new ATOM 0 HB3 LEU A2989 -10.003 20.670 -6.506 1.00 0.00 H new ATOM 0 HG LEU A2989 -8.886 18.970 -7.685 1.00 0.00 H new ATOM 0 HD11 LEU A2989 -7.433 20.129 -9.324 1.00 0.00 H new ATOM 0 HD12 LEU A2989 -8.906 21.051 -8.941 1.00 0.00 H new ATOM 0 HD13 LEU A2989 -7.346 21.532 -8.233 1.00 0.00 H new ATOM 0 HD21 LEU A2989 -6.441 18.575 -7.685 1.00 0.00 H new ATOM 0 HD22 LEU A2989 -6.254 19.825 -6.432 1.00 0.00 H new ATOM 0 HD23 LEU A2989 -7.175 18.343 -6.080 1.00 0.00 H new ATOM 581 N GLY A2990 -9.259 21.919 -3.401 1.00 0.00 N ATOM 582 CA GLY A2990 -10.182 22.306 -2.326 1.00 0.00 C ATOM 583 C GLY A2990 -11.612 21.839 -2.549 1.00 0.00 C ATOM 584 O GLY A2990 -12.570 22.575 -2.259 1.00 0.00 O ATOM 0 H GLY A2990 -8.579 21.208 -3.132 1.00 0.00 H new ATOM 0 HA2 GLY A2990 -9.819 21.897 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A2990 -10.175 23.391 -2.227 1.00 0.00 H new ATOM 588 N ILE A2991 -11.756 20.600 -3.047 1.00 0.00 N ATOM 589 CA ILE A2991 -13.059 20.004 -3.380 1.00 0.00 C ATOM 590 C ILE A2991 -13.190 18.640 -2.669 1.00 0.00 C ATOM 591 O ILE A2991 -12.259 17.821 -2.698 1.00 0.00 O ATOM 592 CB ILE A2991 -13.218 19.885 -4.960 1.00 0.00 C ATOM 593 CG1 ILE A2991 -14.672 19.483 -5.421 1.00 0.00 C ATOM 594 CG2 ILE A2991 -12.159 18.930 -5.561 1.00 0.00 C ATOM 595 CD1 ILE A2991 -14.970 17.993 -5.533 1.00 0.00 C ATOM 0 H ILE A2991 -10.967 19.981 -3.231 1.00 0.00 H new ATOM 0 HA ILE A2991 -13.869 20.643 -3.027 1.00 0.00 H new ATOM 0 HB ILE A2991 -13.045 20.887 -5.352 1.00 0.00 H new ATOM 0 HG12 ILE A2991 -15.383 19.920 -4.720 1.00 0.00 H new ATOM 0 HG13 ILE A2991 -14.859 19.941 -6.392 1.00 0.00 H new ATOM 0 HG21 ILE A2991 -12.294 18.870 -6.641 1.00 0.00 H new ATOM 0 HG22 ILE A2991 -11.161 19.309 -5.341 1.00 0.00 H new ATOM 0 HG23 ILE A2991 -12.275 17.938 -5.125 1.00 0.00 H new ATOM 0 HD11 ILE A2991 -16.001 17.852 -5.858 1.00 0.00 H new ATOM 0 HD12 ILE A2991 -14.295 17.541 -6.260 1.00 0.00 H new ATOM 0 HD13 ILE A2991 -14.828 17.519 -4.562 1.00 0.00 H new ATOM 607 N ARG A2992 -14.327 18.423 -1.980 1.00 0.00 N ATOM 608 CA ARG A2992 -14.656 17.120 -1.372 1.00 0.00 C ATOM 609 C ARG A2992 -15.577 16.339 -2.343 1.00 0.00 C ATOM 610 O ARG A2992 -16.581 16.901 -2.818 1.00 0.00 O ATOM 611 CB ARG A2992 -15.330 17.292 0.034 1.00 0.00 C ATOM 612 CG ARG A2992 -16.745 17.927 0.033 1.00 0.00 C ATOM 613 CD ARG A2992 -17.321 18.153 1.444 1.00 0.00 C ATOM 614 NE ARG A2992 -17.358 16.916 2.263 1.00 0.00 N ATOM 615 CZ ARG A2992 -16.554 16.646 3.317 1.00 0.00 C ATOM 616 NH1 ARG A2992 -15.590 17.496 3.671 1.00 0.00 N ATOM 617 NH2 ARG A2992 -16.721 15.533 4.019 1.00 0.00 N ATOM 0 H ARG A2992 -15.037 19.139 -1.830 1.00 0.00 H new ATOM 0 HA ARG A2992 -13.736 16.558 -1.208 1.00 0.00 H new ATOM 0 HB2 ARG A2992 -15.393 16.312 0.508 1.00 0.00 H new ATOM 0 HB3 ARG A2992 -14.678 17.906 0.656 1.00 0.00 H new ATOM 0 HG2 ARG A2992 -16.705 18.882 -0.491 1.00 0.00 H new ATOM 0 HG3 ARG A2992 -17.423 17.283 -0.528 1.00 0.00 H new ATOM 0 HD2 ARG A2992 -16.722 18.904 1.958 1.00 0.00 H new ATOM 0 HD3 ARG A2992 -18.331 18.555 1.358 1.00 0.00 H new ATOM 0 HE ARG A2992 -18.048 16.209 2.010 1.00 0.00 H new ATOM 0 HH11 ARG A2992 -15.453 18.359 3.146 1.00 0.00 H new ATOM 0 HH12 ARG A2992 -14.989 17.283 4.467 1.00 0.00 H new ATOM 0 HH21 ARG A2992 -17.458 14.876 3.765 1.00 0.00 H new ATOM 0 HH22 ARG A2992 -16.112 15.334 4.813 1.00 0.00 H new