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 49:sc= 0.202 USER MOD Single : A2971 SER OG : rot 96:sc= 0.182 USER MOD Single : A2986 GLN : amide:sc= 0.135 X(o=0.13,f=0) USER MOD Single : A2987 ASN : amide:sc= 0.193 K(o=0.19,f=-0.68) USER MOD Single : A2988 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 81 N ASP A2957 -8.328 6.595 -11.248 1.00 0.00 N ATOM 82 CA ASP A2957 -8.173 6.549 -12.707 1.00 0.00 C ATOM 83 C ASP A2957 -9.294 7.360 -13.404 1.00 0.00 C ATOM 84 O ASP A2957 -10.470 7.079 -13.185 1.00 0.00 O ATOM 85 CB ASP A2957 -8.182 5.056 -13.157 1.00 0.00 C ATOM 86 CG ASP A2957 -8.052 4.830 -14.674 1.00 0.00 C ATOM 87 OD1 ASP A2957 -7.291 5.562 -15.343 1.00 0.00 O ATOM 88 OD2 ASP A2957 -8.719 3.920 -15.210 1.00 0.00 O ATOM 0 HA ASP A2957 -7.226 7.005 -12.997 1.00 0.00 H new ATOM 0 HB2 ASP A2957 -7.364 4.537 -12.657 1.00 0.00 H new ATOM 0 HB3 ASP A2957 -9.109 4.595 -12.815 1.00 0.00 H new ATOM 93 N PRO A2958 -8.946 8.387 -14.257 1.00 0.00 N ATOM 94 CA PRO A2958 -9.944 9.142 -15.074 1.00 0.00 C ATOM 95 C PRO A2958 -10.666 8.245 -16.104 1.00 0.00 C ATOM 96 O PRO A2958 -11.813 8.514 -16.482 1.00 0.00 O ATOM 97 CB PRO A2958 -9.086 10.239 -15.767 1.00 0.00 C ATOM 98 CG PRO A2958 -7.695 9.676 -15.768 1.00 0.00 C ATOM 99 CD PRO A2958 -7.571 8.922 -14.465 1.00 0.00 C ATOM 0 HA PRO A2958 -10.752 9.551 -14.467 1.00 0.00 H new ATOM 0 HB2 PRO A2958 -9.436 10.437 -16.780 1.00 0.00 H new ATOM 0 HB3 PRO A2958 -9.133 11.183 -15.224 1.00 0.00 H new ATOM 0 HG2 PRO A2958 -7.538 9.016 -16.621 1.00 0.00 H new ATOM 0 HG3 PRO A2958 -6.950 10.468 -15.837 1.00 0.00 H new ATOM 0 HD2 PRO A2958 -6.832 8.123 -14.529 1.00 0.00 H new ATOM 0 HD3 PRO A2958 -7.264 9.575 -13.648 1.00 0.00 H new ATOM 107 N LEU A2959 -9.988 7.161 -16.540 1.00 0.00 N ATOM 108 CA LEU A2959 -10.550 6.186 -17.493 1.00 0.00 C ATOM 109 C LEU A2959 -11.599 5.281 -16.804 1.00 0.00 C ATOM 110 O LEU A2959 -12.446 4.691 -17.474 1.00 0.00 O ATOM 111 CB LEU A2959 -9.415 5.341 -18.146 1.00 0.00 C ATOM 112 CG LEU A2959 -9.852 4.289 -19.224 1.00 0.00 C ATOM 113 CD1 LEU A2959 -10.477 4.970 -20.465 1.00 0.00 C ATOM 114 CD2 LEU A2959 -8.683 3.358 -19.614 1.00 0.00 C ATOM 0 H LEU A2959 -9.038 6.940 -16.241 1.00 0.00 H new ATOM 0 HA LEU A2959 -11.058 6.735 -18.286 1.00 0.00 H new ATOM 0 HB2 LEU A2959 -8.703 6.026 -18.607 1.00 0.00 H new ATOM 0 HB3 LEU A2959 -8.883 4.815 -17.353 1.00 0.00 H new ATOM 0 HG LEU A2959 -10.626 3.667 -18.774 1.00 0.00 H new ATOM 0 HD11 LEU A2959 -10.767 4.209 -21.190 1.00 0.00 H new ATOM 0 HD12 LEU A2959 -11.357 5.539 -20.164 1.00 0.00 H new ATOM 0 HD13 LEU A2959 -9.748 5.642 -20.917 1.00 0.00 H new ATOM 0 HD21 LEU A2959 -9.022 2.642 -20.363 1.00 0.00 H new ATOM 0 HD22 LEU A2959 -7.866 3.952 -20.024 1.00 0.00 H new ATOM 0 HD23 LEU A2959 -8.335 2.822 -18.731 1.00 0.00 H new ATOM 126 N ALA A2960 -11.557 5.210 -15.454 1.00 0.00 N ATOM 127 CA ALA A2960 -12.586 4.508 -14.647 1.00 0.00 C ATOM 128 C ALA A2960 -13.955 5.227 -14.707 1.00 0.00 C ATOM 129 O ALA A2960 -14.967 4.677 -14.260 1.00 0.00 O ATOM 130 CB ALA A2960 -12.108 4.361 -13.193 1.00 0.00 C ATOM 0 H ALA A2960 -10.816 5.633 -14.895 1.00 0.00 H new ATOM 0 HA ALA A2960 -12.727 3.516 -15.075 1.00 0.00 H new ATOM 0 HB1 ALA A2960 -12.870 3.845 -12.610 1.00 0.00 H new ATOM 0 HB2 ALA A2960 -11.183 3.786 -13.171 1.00 0.00 H new ATOM 0 HB3 ALA A2960 -11.932 5.348 -12.766 1.00 0.00 H new ATOM 136 N GLY A2961 -13.964 6.460 -15.261 1.00 0.00 N ATOM 137 CA GLY A2961 -15.185 7.254 -15.426 1.00 0.00 C ATOM 138 C GLY A2961 -15.695 7.843 -14.118 1.00 0.00 C ATOM 139 O GLY A2961 -16.864 8.219 -14.015 1.00 0.00 O ATOM 0 H GLY A2961 -13.123 6.925 -15.603 1.00 0.00 H new ATOM 0 HA2 GLY A2961 -14.993 8.063 -16.131 1.00 0.00 H new ATOM 0 HA3 GLY A2961 -15.962 6.628 -15.863 1.00 0.00 H new ATOM 143 N ILE A2962 -14.800 7.925 -13.123 1.00 0.00 N ATOM 144 CA ILE A2962 -15.123 8.397 -11.762 1.00 0.00 C ATOM 145 C ILE A2962 -15.036 9.930 -11.672 1.00 0.00 C ATOM 146 O ILE A2962 -14.510 10.588 -12.581 1.00 0.00 O ATOM 147 CB ILE A2962 -14.171 7.733 -10.698 1.00 0.00 C ATOM 148 CG1 ILE A2962 -12.668 8.027 -11.023 1.00 0.00 C ATOM 149 CG2 ILE A2962 -14.435 6.207 -10.603 1.00 0.00 C ATOM 150 CD1 ILE A2962 -11.671 7.512 -9.993 1.00 0.00 C ATOM 0 H ILE A2962 -13.821 7.664 -13.238 1.00 0.00 H new ATOM 0 HA ILE A2962 -16.149 8.100 -11.543 1.00 0.00 H new ATOM 0 HB ILE A2962 -14.390 8.175 -9.726 1.00 0.00 H new ATOM 0 HG12 ILE A2962 -12.428 7.585 -11.990 1.00 0.00 H new ATOM 0 HG13 ILE A2962 -12.538 9.105 -11.124 1.00 0.00 H new ATOM 0 HG21 ILE A2962 -13.767 5.768 -9.862 1.00 0.00 H new ATOM 0 HG22 ILE A2962 -15.470 6.035 -10.306 1.00 0.00 H new ATOM 0 HG23 ILE A2962 -14.254 5.745 -11.574 1.00 0.00 H new ATOM 0 HD11 ILE A2962 -10.659 7.765 -10.308 1.00 0.00 H new ATOM 0 HD12 ILE A2962 -11.876 7.972 -9.026 1.00 0.00 H new ATOM 0 HD13 ILE A2962 -11.764 6.429 -9.906 1.00 0.00 H new ATOM 162 N SER A2963 -15.555 10.483 -10.564 1.00 0.00 N ATOM 163 CA SER A2963 -15.646 11.940 -10.351 1.00 0.00 C ATOM 164 C SER A2963 -14.300 12.514 -9.843 1.00 0.00 C ATOM 165 O SER A2963 -14.105 12.726 -8.635 1.00 0.00 O ATOM 166 CB SER A2963 -16.805 12.247 -9.369 1.00 0.00 C ATOM 167 OG SER A2963 -16.670 11.514 -8.156 1.00 0.00 O ATOM 0 H SER A2963 -15.924 9.933 -9.788 1.00 0.00 H new ATOM 0 HA SER A2963 -15.859 12.428 -11.302 1.00 0.00 H new ATOM 0 HB2 SER A2963 -16.824 13.315 -9.150 1.00 0.00 H new ATOM 0 HB3 SER A2963 -17.757 12.001 -9.840 1.00 0.00 H new ATOM 0 HG SER A2963 -15.757 11.613 -7.814 1.00 0.00 H new ATOM 173 N LEU A2964 -13.352 12.710 -10.772 1.00 0.00 N ATOM 174 CA LEU A2964 -12.066 13.369 -10.490 1.00 0.00 C ATOM 175 C LEU A2964 -12.125 14.836 -10.955 1.00 0.00 C ATOM 176 O LEU A2964 -12.824 15.137 -11.925 1.00 0.00 O ATOM 177 CB LEU A2964 -10.903 12.630 -11.201 1.00 0.00 C ATOM 178 CG LEU A2964 -10.581 11.198 -10.682 1.00 0.00 C ATOM 179 CD1 LEU A2964 -9.401 10.580 -11.461 1.00 0.00 C ATOM 180 CD2 LEU A2964 -10.303 11.197 -9.154 1.00 0.00 C ATOM 0 H LEU A2964 -13.455 12.415 -11.743 1.00 0.00 H new ATOM 0 HA LEU A2964 -11.884 13.337 -9.416 1.00 0.00 H new ATOM 0 HB2 LEU A2964 -11.137 12.565 -12.264 1.00 0.00 H new ATOM 0 HB3 LEU A2964 -10.003 13.238 -11.109 1.00 0.00 H new ATOM 0 HG LEU A2964 -11.461 10.579 -10.856 1.00 0.00 H new ATOM 0 HD11 LEU A2964 -9.197 9.580 -11.079 1.00 0.00 H new ATOM 0 HD12 LEU A2964 -9.656 10.519 -12.519 1.00 0.00 H new ATOM 0 HD13 LEU A2964 -8.516 11.204 -11.336 1.00 0.00 H new ATOM 0 HD21 LEU A2964 -10.082 10.182 -8.825 1.00 0.00 H new ATOM 0 HD22 LEU A2964 -9.451 11.842 -8.939 1.00 0.00 H new ATOM 0 HD23 LEU A2964 -11.181 11.567 -8.624 1.00 0.00 H new ATOM 192 N PRO A2965 -11.404 15.772 -10.265 1.00 0.00 N ATOM 193 CA PRO A2965 -11.264 17.178 -10.724 1.00 0.00 C ATOM 194 C PRO A2965 -10.418 17.291 -12.016 1.00 0.00 C ATOM 195 O PRO A2965 -9.854 16.300 -12.495 1.00 0.00 O ATOM 196 CB PRO A2965 -10.586 17.875 -9.517 1.00 0.00 C ATOM 197 CG PRO A2965 -9.836 16.773 -8.830 1.00 0.00 C ATOM 198 CD PRO A2965 -10.701 15.547 -8.968 1.00 0.00 C ATOM 0 HA PRO A2965 -12.217 17.632 -10.995 1.00 0.00 H new ATOM 0 HB2 PRO A2965 -9.916 18.671 -9.842 1.00 0.00 H new ATOM 0 HB3 PRO A2965 -11.322 18.329 -8.854 1.00 0.00 H new ATOM 0 HG2 PRO A2965 -8.860 16.618 -9.289 1.00 0.00 H new ATOM 0 HG3 PRO A2965 -9.660 17.013 -7.781 1.00 0.00 H new ATOM 0 HD2 PRO A2965 -10.106 14.634 -8.985 1.00 0.00 H new ATOM 0 HD3 PRO A2965 -11.403 15.454 -8.140 1.00 0.00 H new ATOM 206 N GLU A2966 -10.355 18.506 -12.576 1.00 0.00 N ATOM 207 CA GLU A2966 -9.646 18.768 -13.839 1.00 0.00 C ATOM 208 C GLU A2966 -8.122 18.845 -13.614 1.00 0.00 C ATOM 209 O GLU A2966 -7.670 19.390 -12.602 1.00 0.00 O ATOM 210 CB GLU A2966 -10.155 20.082 -14.474 1.00 0.00 C ATOM 211 CG GLU A2966 -11.648 20.069 -14.860 1.00 0.00 C ATOM 212 CD GLU A2966 -12.111 21.384 -15.508 1.00 0.00 C ATOM 213 OE1 GLU A2966 -11.783 21.623 -16.690 1.00 0.00 O ATOM 214 OE2 GLU A2966 -12.791 22.191 -14.843 1.00 0.00 O ATOM 0 H GLU A2966 -10.792 19.333 -12.170 1.00 0.00 H new ATOM 0 HA GLU A2966 -9.849 17.940 -14.519 1.00 0.00 H new ATOM 0 HB2 GLU A2966 -9.981 20.900 -13.775 1.00 0.00 H new ATOM 0 HB3 GLU A2966 -9.564 20.293 -15.365 1.00 0.00 H new ATOM 0 HG2 GLU A2966 -11.832 19.246 -15.550 1.00 0.00 H new ATOM 0 HG3 GLU A2966 -12.247 19.879 -13.969 1.00 0.00 H new ATOM 221 N GLY A2967 -7.362 18.258 -14.562 1.00 0.00 N ATOM 222 CA GLY A2967 -5.896 18.345 -14.591 1.00 0.00 C ATOM 223 C GLY A2967 -5.183 17.587 -13.473 1.00 0.00 C ATOM 224 O GLY A2967 -3.982 17.787 -13.269 1.00 0.00 O ATOM 0 H GLY A2967 -7.753 17.710 -15.328 1.00 0.00 H new ATOM 0 HA2 GLY A2967 -5.543 17.965 -15.550 1.00 0.00 H new ATOM 0 HA3 GLY A2967 -5.608 19.395 -14.539 1.00 0.00 H new ATOM 228 N VAL A2968 -5.917 16.720 -12.752 1.00 0.00 N ATOM 229 CA VAL A2968 -5.350 15.933 -11.646 1.00 0.00 C ATOM 230 C VAL A2968 -4.572 14.716 -12.210 1.00 0.00 C ATOM 231 O VAL A2968 -5.116 13.914 -12.981 1.00 0.00 O ATOM 232 CB VAL A2968 -6.461 15.494 -10.605 1.00 0.00 C ATOM 233 CG1 VAL A2968 -7.507 14.532 -11.216 1.00 0.00 C ATOM 234 CG2 VAL A2968 -5.822 14.903 -9.320 1.00 0.00 C ATOM 0 H VAL A2968 -6.908 16.548 -12.918 1.00 0.00 H new ATOM 0 HA VAL A2968 -4.650 16.563 -11.097 1.00 0.00 H new ATOM 0 HB VAL A2968 -7.004 16.397 -10.326 1.00 0.00 H new ATOM 0 HG11 VAL A2968 -8.243 14.265 -10.457 1.00 0.00 H new ATOM 0 HG12 VAL A2968 -8.008 15.022 -12.051 1.00 0.00 H new ATOM 0 HG13 VAL A2968 -7.008 13.630 -11.571 1.00 0.00 H new ATOM 0 HG21 VAL A2968 -6.608 14.611 -8.624 1.00 0.00 H new ATOM 0 HG22 VAL A2968 -5.224 14.029 -9.580 1.00 0.00 H new ATOM 0 HG23 VAL A2968 -5.184 15.653 -8.853 1.00 0.00 H new ATOM 244 N ASP A2969 -3.273 14.621 -11.882 1.00 0.00 N ATOM 245 CA ASP A2969 -2.418 13.510 -12.332 1.00 0.00 C ATOM 246 C ASP A2969 -2.605 12.296 -11.399 1.00 0.00 C ATOM 247 O ASP A2969 -2.342 12.408 -10.197 1.00 0.00 O ATOM 248 CB ASP A2969 -0.929 13.941 -12.384 1.00 0.00 C ATOM 249 CG ASP A2969 0.031 12.765 -12.653 1.00 0.00 C ATOM 250 OD1 ASP A2969 -0.034 12.164 -13.745 1.00 0.00 O ATOM 251 OD2 ASP A2969 0.826 12.412 -11.760 1.00 0.00 O ATOM 0 H ASP A2969 -2.789 15.306 -11.302 1.00 0.00 H new ATOM 0 HA ASP A2969 -2.715 13.227 -13.342 1.00 0.00 H new ATOM 0 HB2 ASP A2969 -0.801 14.692 -13.163 1.00 0.00 H new ATOM 0 HB3 ASP A2969 -0.660 14.413 -11.439 1.00 0.00 H new ATOM 256 N PRO A2970 -3.058 11.115 -11.945 1.00 0.00 N ATOM 257 CA PRO A2970 -3.292 9.889 -11.141 1.00 0.00 C ATOM 258 C PRO A2970 -1.991 9.153 -10.751 1.00 0.00 C ATOM 259 O PRO A2970 -2.022 8.269 -9.887 1.00 0.00 O ATOM 260 CB PRO A2970 -4.164 9.024 -12.085 1.00 0.00 C ATOM 261 CG PRO A2970 -3.711 9.405 -13.462 1.00 0.00 C ATOM 262 CD PRO A2970 -3.398 10.888 -13.390 1.00 0.00 C ATOM 0 HA PRO A2970 -3.759 10.112 -10.182 1.00 0.00 H new ATOM 0 HB2 PRO A2970 -4.017 7.960 -11.898 1.00 0.00 H new ATOM 0 HB3 PRO A2970 -5.225 9.229 -11.945 1.00 0.00 H new ATOM 0 HG2 PRO A2970 -2.832 8.832 -13.758 1.00 0.00 H new ATOM 0 HG3 PRO A2970 -4.487 9.203 -14.200 1.00 0.00 H new ATOM 0 HD2 PRO A2970 -2.566 11.153 -14.043 1.00 0.00 H new ATOM 0 HD3 PRO A2970 -4.251 11.492 -13.700 1.00 0.00 H new ATOM 270 N SER A2971 -0.858 9.537 -11.381 1.00 0.00 N ATOM 271 CA SER A2971 0.421 8.830 -11.220 1.00 0.00 C ATOM 272 C SER A2971 0.984 9.037 -9.803 1.00 0.00 C ATOM 273 O SER A2971 1.207 8.052 -9.093 1.00 0.00 O ATOM 274 CB SER A2971 1.437 9.267 -12.296 1.00 0.00 C ATOM 275 OG SER A2971 0.863 9.191 -13.595 1.00 0.00 O ATOM 0 H SER A2971 -0.810 10.339 -12.009 1.00 0.00 H new ATOM 0 HA SER A2971 0.238 7.764 -11.355 1.00 0.00 H new ATOM 0 HB2 SER A2971 1.766 10.287 -12.098 1.00 0.00 H new ATOM 0 HB3 SER A2971 2.321 8.632 -12.247 1.00 0.00 H new ATOM 0 HG SER A2971 0.517 10.071 -13.852 1.00 0.00 H new ATOM 281 N PHE A2972 1.159 10.314 -9.366 1.00 0.00 N ATOM 282 CA PHE A2972 1.663 10.605 -7.996 1.00 0.00 C ATOM 283 C PHE A2972 0.549 10.375 -6.969 1.00 0.00 C ATOM 284 O PHE A2972 0.801 9.947 -5.852 1.00 0.00 O ATOM 285 CB PHE A2972 2.273 12.046 -7.850 1.00 0.00 C ATOM 286 CG PHE A2972 1.338 13.262 -8.072 1.00 0.00 C ATOM 287 CD1 PHE A2972 0.344 13.609 -7.139 1.00 0.00 C ATOM 288 CD2 PHE A2972 1.485 14.085 -9.187 1.00 0.00 C ATOM 289 CE1 PHE A2972 -0.465 14.708 -7.329 1.00 0.00 C ATOM 290 CE2 PHE A2972 0.670 15.183 -9.378 1.00 0.00 C ATOM 291 CZ PHE A2972 -0.306 15.495 -8.448 1.00 0.00 C ATOM 0 H PHE A2972 0.963 11.142 -9.929 1.00 0.00 H new ATOM 0 HA PHE A2972 2.483 9.913 -7.805 1.00 0.00 H new ATOM 0 HB2 PHE A2972 2.695 12.129 -6.849 1.00 0.00 H new ATOM 0 HB3 PHE A2972 3.101 12.130 -8.553 1.00 0.00 H new ATOM 0 HD1 PHE A2972 0.212 13.002 -6.256 1.00 0.00 H new ATOM 0 HD2 PHE A2972 2.250 13.860 -9.915 1.00 0.00 H new ATOM 0 HE1 PHE A2972 -1.224 14.952 -6.600 1.00 0.00 H new ATOM 0 HE2 PHE A2972 0.795 15.800 -10.256 1.00 0.00 H new ATOM 0 HZ PHE A2972 -0.942 16.354 -8.599 1.00 0.00 H new ATOM 301 N LEU A2973 -0.684 10.656 -7.400 1.00 0.00 N ATOM 302 CA LEU A2973 -1.881 10.630 -6.552 1.00 0.00 C ATOM 303 C LEU A2973 -2.089 9.233 -5.939 1.00 0.00 C ATOM 304 O LEU A2973 -2.292 9.092 -4.733 1.00 0.00 O ATOM 305 CB LEU A2973 -3.096 11.048 -7.418 1.00 0.00 C ATOM 306 CG LEU A2973 -4.423 11.373 -6.675 1.00 0.00 C ATOM 307 CD1 LEU A2973 -4.253 12.584 -5.722 1.00 0.00 C ATOM 308 CD2 LEU A2973 -5.569 11.608 -7.681 1.00 0.00 C ATOM 0 H LEU A2973 -0.883 10.913 -8.367 1.00 0.00 H new ATOM 0 HA LEU A2973 -1.765 11.327 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A2973 -2.811 11.925 -7.998 1.00 0.00 H new ATOM 0 HB3 LEU A2973 -3.295 10.246 -8.129 1.00 0.00 H new ATOM 0 HG LEU A2973 -4.685 10.511 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A2973 -5.198 12.786 -5.218 1.00 0.00 H new ATOM 0 HD12 LEU A2973 -3.487 12.358 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A2973 -3.954 13.460 -6.297 1.00 0.00 H new ATOM 0 HD21 LEU A2973 -6.488 11.834 -7.140 1.00 0.00 H new ATOM 0 HD22 LEU A2973 -5.316 12.445 -8.332 1.00 0.00 H new ATOM 0 HD23 LEU A2973 -5.714 10.711 -8.283 1.00 0.00 H new ATOM 320 N ALA A2974 -1.970 8.210 -6.792 1.00 0.00 N ATOM 321 CA ALA A2974 -2.212 6.816 -6.413 1.00 0.00 C ATOM 322 C ALA A2974 -0.933 6.131 -5.890 1.00 0.00 C ATOM 323 O ALA A2974 -1.022 5.279 -5.000 1.00 0.00 O ATOM 324 CB ALA A2974 -2.781 6.064 -7.617 1.00 0.00 C ATOM 0 H ALA A2974 -1.702 8.328 -7.769 1.00 0.00 H new ATOM 0 HA ALA A2974 -2.932 6.798 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A2974 -2.964 5.025 -7.344 1.00 0.00 H new ATOM 0 HB2 ALA A2974 -3.717 6.528 -7.927 1.00 0.00 H new ATOM 0 HB3 ALA A2974 -2.068 6.102 -8.440 1.00 0.00 H new ATOM 330 N ALA A2975 0.250 6.487 -6.462 1.00 0.00 N ATOM 331 CA ALA A2975 1.543 5.826 -6.118 1.00 0.00 C ATOM 332 C ALA A2975 2.046 6.229 -4.720 1.00 0.00 C ATOM 333 O ALA A2975 2.573 5.394 -3.978 1.00 0.00 O ATOM 334 CB ALA A2975 2.620 6.129 -7.170 1.00 0.00 C ATOM 0 H ALA A2975 0.336 7.225 -7.161 1.00 0.00 H new ATOM 0 HA ALA A2975 1.351 4.753 -6.109 1.00 0.00 H new ATOM 0 HB1 ALA A2975 3.550 5.634 -6.892 1.00 0.00 H new ATOM 0 HB2 ALA A2975 2.291 5.763 -8.143 1.00 0.00 H new ATOM 0 HB3 ALA A2975 2.784 7.205 -7.223 1.00 0.00 H new ATOM 340 N LEU A2976 1.905 7.521 -4.392 1.00 0.00 N ATOM 341 CA LEU A2976 2.273 8.072 -3.070 1.00 0.00 C ATOM 342 C LEU A2976 1.209 7.662 -2.012 1.00 0.00 C ATOM 343 O LEU A2976 0.041 7.472 -2.377 1.00 0.00 O ATOM 344 CB LEU A2976 2.423 9.615 -3.173 1.00 0.00 C ATOM 345 CG LEU A2976 3.526 10.139 -4.152 1.00 0.00 C ATOM 346 CD1 LEU A2976 3.578 11.685 -4.156 1.00 0.00 C ATOM 347 CD2 LEU A2976 4.913 9.527 -3.831 1.00 0.00 C ATOM 0 H LEU A2976 1.532 8.220 -5.035 1.00 0.00 H new ATOM 0 HA LEU A2976 3.231 7.663 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A2976 1.465 10.032 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A2976 2.635 10.006 -2.178 1.00 0.00 H new ATOM 0 HG LEU A2976 3.255 9.813 -5.156 1.00 0.00 H new ATOM 0 HD11 LEU A2976 4.353 12.021 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A2976 2.613 12.081 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A2976 3.804 12.044 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A2976 5.653 9.914 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU A2976 5.202 9.793 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A2976 4.862 8.442 -3.921 1.00 0.00 H new ATOM 359 N PRO A2977 1.594 7.502 -0.685 1.00 0.00 N ATOM 360 CA PRO A2977 0.655 7.054 0.385 1.00 0.00 C ATOM 361 C PRO A2977 -0.581 7.978 0.554 1.00 0.00 C ATOM 362 O PRO A2977 -0.601 9.117 0.075 1.00 0.00 O ATOM 363 CB PRO A2977 1.534 7.006 1.672 1.00 0.00 C ATOM 364 CG PRO A2977 2.731 7.859 1.358 1.00 0.00 C ATOM 365 CD PRO A2977 2.960 7.732 -0.136 1.00 0.00 C ATOM 0 HA PRO A2977 0.212 6.088 0.142 1.00 0.00 H new ATOM 0 HB2 PRO A2977 0.991 7.391 2.535 1.00 0.00 H new ATOM 0 HB3 PRO A2977 1.829 5.984 1.910 1.00 0.00 H new ATOM 0 HG2 PRO A2977 2.553 8.897 1.638 1.00 0.00 H new ATOM 0 HG3 PRO A2977 3.605 7.524 1.916 1.00 0.00 H new ATOM 0 HD2 PRO A2977 3.411 8.634 -0.550 1.00 0.00 H new ATOM 0 HD3 PRO A2977 3.630 6.904 -0.369 1.00 0.00 H new ATOM 373 N ASP A2978 -1.588 7.473 1.286 1.00 0.00 N ATOM 374 CA ASP A2978 -2.938 8.080 1.382 1.00 0.00 C ATOM 375 C ASP A2978 -2.919 9.472 2.044 1.00 0.00 C ATOM 376 O ASP A2978 -3.819 10.284 1.806 1.00 0.00 O ATOM 377 CB ASP A2978 -3.893 7.130 2.162 1.00 0.00 C ATOM 378 CG ASP A2978 -3.579 7.040 3.667 1.00 0.00 C ATOM 379 OD1 ASP A2978 -2.462 6.612 4.025 1.00 0.00 O ATOM 380 OD2 ASP A2978 -4.446 7.395 4.496 1.00 0.00 O ATOM 0 H ASP A2978 -1.492 6.620 1.837 1.00 0.00 H new ATOM 0 HA ASP A2978 -3.301 8.217 0.364 1.00 0.00 H new ATOM 0 HB2 ASP A2978 -4.919 7.474 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A2978 -3.835 6.132 1.727 1.00 0.00 H new ATOM 385 N ASP A2979 -1.875 9.717 2.858 1.00 0.00 N ATOM 386 CA ASP A2979 -1.702 10.957 3.631 1.00 0.00 C ATOM 387 C ASP A2979 -1.560 12.188 2.710 1.00 0.00 C ATOM 388 O ASP A2979 -2.381 13.128 2.760 1.00 0.00 O ATOM 389 CB ASP A2979 -0.445 10.795 4.536 1.00 0.00 C ATOM 390 CG ASP A2979 -0.056 12.076 5.293 1.00 0.00 C ATOM 391 OD1 ASP A2979 -0.715 12.414 6.287 1.00 0.00 O ATOM 392 OD2 ASP A2979 0.886 12.779 4.866 1.00 0.00 O ATOM 0 H ASP A2979 -1.118 9.048 2.998 1.00 0.00 H new ATOM 0 HA ASP A2979 -2.587 11.126 4.244 1.00 0.00 H new ATOM 0 HB2 ASP A2979 -0.629 9.999 5.258 1.00 0.00 H new ATOM 0 HB3 ASP A2979 0.397 10.479 3.920 1.00 0.00 H new ATOM 397 N ILE A2980 -0.556 12.158 1.814 1.00 0.00 N ATOM 398 CA ILE A2980 -0.307 13.286 0.896 1.00 0.00 C ATOM 399 C ILE A2980 -1.232 13.196 -0.326 1.00 0.00 C ATOM 400 O ILE A2980 -1.500 14.199 -0.949 1.00 0.00 O ATOM 401 CB ILE A2980 1.203 13.482 0.454 1.00 0.00 C ATOM 402 CG1 ILE A2980 1.686 12.422 -0.574 1.00 0.00 C ATOM 403 CG2 ILE A2980 2.133 13.502 1.692 1.00 0.00 C ATOM 404 CD1 ILE A2980 1.844 11.047 0.001 1.00 0.00 C ATOM 0 H ILE A2980 0.089 11.375 1.706 1.00 0.00 H new ATOM 0 HA ILE A2980 -0.539 14.180 1.475 1.00 0.00 H new ATOM 0 HB ILE A2980 1.253 14.446 -0.052 1.00 0.00 H new ATOM 0 HG12 ILE A2980 0.976 12.381 -1.400 1.00 0.00 H new ATOM 0 HG13 ILE A2980 2.641 12.743 -0.991 1.00 0.00 H new ATOM 0 HG21 ILE A2980 3.165 13.637 1.369 1.00 0.00 H new ATOM 0 HG22 ILE A2980 1.847 14.324 2.348 1.00 0.00 H new ATOM 0 HG23 ILE A2980 2.042 12.559 2.231 1.00 0.00 H new ATOM 0 HD11 ILE A2980 2.184 10.364 -0.777 1.00 0.00 H new ATOM 0 HD12 ILE A2980 2.577 11.072 0.807 1.00 0.00 H new ATOM 0 HD13 ILE A2980 0.886 10.704 0.392 1.00 0.00 H new ATOM 416 N ARG A2981 -1.729 11.980 -0.626 1.00 0.00 N ATOM 417 CA ARG A2981 -2.755 11.734 -1.675 1.00 0.00 C ATOM 418 C ARG A2981 -4.007 12.622 -1.444 1.00 0.00 C ATOM 419 O ARG A2981 -4.442 13.362 -2.353 1.00 0.00 O ATOM 420 CB ARG A2981 -3.089 10.193 -1.690 1.00 0.00 C ATOM 421 CG ARG A2981 -4.554 9.763 -1.946 1.00 0.00 C ATOM 422 CD ARG A2981 -5.036 9.951 -3.383 1.00 0.00 C ATOM 423 NE ARG A2981 -6.396 9.434 -3.554 1.00 0.00 N ATOM 424 CZ ARG A2981 -7.523 10.111 -3.331 1.00 0.00 C ATOM 425 NH1 ARG A2981 -7.494 11.388 -2.942 1.00 0.00 N ATOM 426 NH2 ARG A2981 -8.688 9.498 -3.482 1.00 0.00 N ATOM 0 H ARG A2981 -1.431 11.130 -0.147 1.00 0.00 H new ATOM 0 HA ARG A2981 -2.373 12.013 -2.657 1.00 0.00 H new ATOM 0 HB2 ARG A2981 -2.467 9.725 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A2981 -2.783 9.777 -0.730 1.00 0.00 H new ATOM 0 HG2 ARG A2981 -4.662 8.712 -1.676 1.00 0.00 H new ATOM 0 HG3 ARG A2981 -5.206 10.331 -1.282 1.00 0.00 H new ATOM 0 HD2 ARG A2981 -5.010 11.009 -3.643 1.00 0.00 H new ATOM 0 HD3 ARG A2981 -4.360 9.438 -4.067 1.00 0.00 H new ATOM 0 HE ARG A2981 -6.489 8.469 -3.872 1.00 0.00 H new ATOM 0 HH11 ARG A2981 -6.600 11.861 -2.811 1.00 0.00 H new ATOM 0 HH12 ARG A2981 -8.366 11.890 -2.776 1.00 0.00 H new ATOM 0 HH21 ARG A2981 -8.716 8.519 -3.766 1.00 0.00 H new ATOM 0 HH22 ARG A2981 -9.557 10.005 -3.314 1.00 0.00 H new ATOM 440 N ARG A2982 -4.566 12.567 -0.217 1.00 0.00 N ATOM 441 CA ARG A2982 -5.767 13.347 0.132 1.00 0.00 C ATOM 442 C ARG A2982 -5.428 14.844 0.252 1.00 0.00 C ATOM 443 O ARG A2982 -6.234 15.687 -0.162 1.00 0.00 O ATOM 444 CB ARG A2982 -6.442 12.835 1.435 1.00 0.00 C ATOM 445 CG ARG A2982 -5.564 12.914 2.696 1.00 0.00 C ATOM 446 CD ARG A2982 -6.313 12.508 3.974 1.00 0.00 C ATOM 447 NE ARG A2982 -7.384 13.461 4.325 1.00 0.00 N ATOM 448 CZ ARG A2982 -7.308 14.395 5.293 1.00 0.00 C ATOM 449 NH1 ARG A2982 -6.186 14.587 5.974 1.00 0.00 N ATOM 450 NH2 ARG A2982 -8.363 15.140 5.563 1.00 0.00 N ATOM 0 H ARG A2982 -4.205 11.992 0.544 1.00 0.00 H new ATOM 0 HA ARG A2982 -6.483 13.211 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A2982 -7.351 13.412 1.607 1.00 0.00 H new ATOM 0 HB3 ARG A2982 -6.746 11.799 1.286 1.00 0.00 H new ATOM 0 HG2 ARG A2982 -4.696 12.267 2.569 1.00 0.00 H new ATOM 0 HG3 ARG A2982 -5.190 13.931 2.808 1.00 0.00 H new ATOM 0 HD2 ARG A2982 -6.743 11.515 3.840 1.00 0.00 H new ATOM 0 HD3 ARG A2982 -5.606 12.440 4.800 1.00 0.00 H new ATOM 0 HE ARG A2982 -8.252 13.408 3.792 1.00 0.00 H new ATOM 0 HH11 ARG A2982 -5.362 14.023 5.768 1.00 0.00 H new ATOM 0 HH12 ARG A2982 -6.148 15.299 6.703 1.00 0.00 H new ATOM 0 HH21 ARG A2982 -9.229 15.007 5.040 1.00 0.00 H new ATOM 0 HH22 ARG A2982 -8.313 15.849 6.295 1.00 0.00 H new ATOM 464 N GLU A2983 -4.227 15.174 0.801 1.00 0.00 N ATOM 465 CA GLU A2983 -3.854 16.582 1.059 1.00 0.00 C ATOM 466 C GLU A2983 -3.613 17.342 -0.257 1.00 0.00 C ATOM 467 O GLU A2983 -4.039 18.485 -0.377 1.00 0.00 O ATOM 468 CB GLU A2983 -2.645 16.687 2.042 1.00 0.00 C ATOM 469 CG GLU A2983 -1.212 16.605 1.431 1.00 0.00 C ATOM 470 CD GLU A2983 -0.526 17.971 1.238 1.00 0.00 C ATOM 471 OE1 GLU A2983 -0.065 18.546 2.247 1.00 0.00 O ATOM 472 OE2 GLU A2983 -0.453 18.475 0.099 1.00 0.00 O ATOM 0 H GLU A2983 -3.516 14.493 1.067 1.00 0.00 H new ATOM 0 HA GLU A2983 -4.695 17.066 1.555 1.00 0.00 H new ATOM 0 HB2 GLU A2983 -2.729 17.632 2.578 1.00 0.00 H new ATOM 0 HB3 GLU A2983 -2.742 15.891 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A2983 -0.589 15.987 2.077 1.00 0.00 H new ATOM 0 HG3 GLU A2983 -1.269 16.101 0.466 1.00 0.00 H new ATOM 479 N VAL A2984 -2.970 16.685 -1.255 1.00 0.00 N ATOM 480 CA VAL A2984 -2.704 17.308 -2.572 1.00 0.00 C ATOM 481 C VAL A2984 -4.016 17.496 -3.350 1.00 0.00 C ATOM 482 O VAL A2984 -4.160 18.471 -4.067 1.00 0.00 O ATOM 483 CB VAL A2984 -1.638 16.526 -3.451 1.00 0.00 C ATOM 484 CG1 VAL A2984 -0.269 16.441 -2.728 1.00 0.00 C ATOM 485 CG2 VAL A2984 -2.143 15.125 -3.882 1.00 0.00 C ATOM 0 H VAL A2984 -2.628 15.728 -1.171 1.00 0.00 H new ATOM 0 HA VAL A2984 -2.259 18.281 -2.362 1.00 0.00 H new ATOM 0 HB VAL A2984 -1.497 17.101 -4.366 1.00 0.00 H new ATOM 0 HG11 VAL A2984 0.440 15.900 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL A2984 0.106 17.447 -2.540 1.00 0.00 H new ATOM 0 HG13 VAL A2984 -0.390 15.916 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A2984 -1.378 14.631 -4.481 1.00 0.00 H new ATOM 0 HG22 VAL A2984 -2.354 14.526 -2.996 1.00 0.00 H new ATOM 0 HG23 VAL A2984 -3.053 15.232 -4.472 1.00 0.00 H new ATOM 495 N LEU A2985 -4.983 16.570 -3.177 1.00 0.00 N ATOM 496 CA LEU A2985 -6.326 16.707 -3.785 1.00 0.00 C ATOM 497 C LEU A2985 -7.028 18.008 -3.302 1.00 0.00 C ATOM 498 O LEU A2985 -7.544 18.801 -4.109 1.00 0.00 O ATOM 499 CB LEU A2985 -7.190 15.466 -3.455 1.00 0.00 C ATOM 500 CG LEU A2985 -8.589 15.397 -4.155 1.00 0.00 C ATOM 501 CD1 LEU A2985 -8.450 15.288 -5.693 1.00 0.00 C ATOM 502 CD2 LEU A2985 -9.452 14.244 -3.588 1.00 0.00 C ATOM 0 H LEU A2985 -4.861 15.722 -2.624 1.00 0.00 H new ATOM 0 HA LEU A2985 -6.207 16.774 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A2985 -6.626 14.573 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A2985 -7.344 15.431 -2.376 1.00 0.00 H new ATOM 0 HG LEU A2985 -9.105 16.332 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A2985 -9.441 15.242 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A2985 -7.917 16.160 -6.073 1.00 0.00 H new ATOM 0 HD13 LEU A2985 -7.894 14.385 -5.945 1.00 0.00 H new ATOM 0 HD21 LEU A2985 -10.416 14.226 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A2985 -8.940 13.295 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A2985 -9.609 14.398 -2.520 1.00 0.00 H new ATOM 514 N GLN A2986 -6.977 18.228 -1.977 1.00 0.00 N ATOM 515 CA GLN A2986 -7.639 19.364 -1.310 1.00 0.00 C ATOM 516 C GLN A2986 -6.893 20.696 -1.564 1.00 0.00 C ATOM 517 O GLN A2986 -7.518 21.719 -1.837 1.00 0.00 O ATOM 518 CB GLN A2986 -7.731 19.083 0.213 1.00 0.00 C ATOM 519 CG GLN A2986 -8.591 17.850 0.585 1.00 0.00 C ATOM 520 CD GLN A2986 -8.545 17.506 2.075 1.00 0.00 C ATOM 521 OE1 GLN A2986 -9.337 18.010 2.868 1.00 0.00 O ATOM 522 NE2 GLN A2986 -7.610 16.645 2.463 1.00 0.00 N ATOM 0 H GLN A2986 -6.472 17.619 -1.334 1.00 0.00 H new ATOM 0 HA GLN A2986 -8.640 19.468 -1.729 1.00 0.00 H new ATOM 0 HB2 GLN A2986 -6.724 18.940 0.605 1.00 0.00 H new ATOM 0 HB3 GLN A2986 -8.144 19.962 0.708 1.00 0.00 H new ATOM 0 HG2 GLN A2986 -9.625 18.036 0.294 1.00 0.00 H new ATOM 0 HG3 GLN A2986 -8.248 16.990 0.010 1.00 0.00 H new ATOM 0 HE21 GLN A2986 -6.969 16.246 1.778 1.00 0.00 H new ATOM 0 HE22 GLN A2986 -7.534 16.384 3.446 1.00 0.00 H new ATOM 531 N ASN A2987 -5.557 20.662 -1.472 1.00 0.00 N ATOM 532 CA ASN A2987 -4.712 21.876 -1.546 1.00 0.00 C ATOM 533 C ASN A2987 -4.591 22.388 -2.992 1.00 0.00 C ATOM 534 O ASN A2987 -4.677 23.600 -3.239 1.00 0.00 O ATOM 535 CB ASN A2987 -3.307 21.591 -0.945 1.00 0.00 C ATOM 536 CG ASN A2987 -3.317 21.370 0.576 1.00 0.00 C ATOM 537 OD1 ASN A2987 -4.161 21.905 1.297 1.00 0.00 O ATOM 538 ND2 ASN A2987 -2.381 20.577 1.075 1.00 0.00 N ATOM 0 H ASN A2987 -5.027 19.800 -1.345 1.00 0.00 H new ATOM 0 HA ASN A2987 -5.193 22.658 -0.959 1.00 0.00 H new ATOM 0 HB2 ASN A2987 -2.887 20.709 -1.428 1.00 0.00 H new ATOM 0 HB3 ASN A2987 -2.646 22.426 -1.177 1.00 0.00 H new ATOM 0 HD21 ASN A2987 -2.347 20.397 2.078 1.00 0.00 H new ATOM 0 HD22 ASN A2987 -1.694 20.147 0.456 1.00 0.00 H new ATOM 545 N GLN A2988 -4.387 21.462 -3.943 1.00 0.00 N ATOM 546 CA GLN A2988 -4.225 21.800 -5.369 1.00 0.00 C ATOM 547 C GLN A2988 -5.558 22.242 -5.993 1.00 0.00 C ATOM 548 O GLN A2988 -5.662 23.351 -6.508 1.00 0.00 O ATOM 549 CB GLN A2988 -3.648 20.589 -6.159 1.00 0.00 C ATOM 550 CG GLN A2988 -2.169 20.249 -5.870 1.00 0.00 C ATOM 551 CD GLN A2988 -1.220 21.327 -6.375 1.00 0.00 C ATOM 552 OE1 GLN A2988 -0.757 21.289 -7.520 1.00 0.00 O ATOM 553 NE2 GLN A2988 -0.949 22.305 -5.543 1.00 0.00 N ATOM 0 H GLN A2988 -4.330 20.462 -3.748 1.00 0.00 H new ATOM 0 HA GLN A2988 -3.524 22.632 -5.431 1.00 0.00 H new ATOM 0 HB2 GLN A2988 -4.254 19.711 -5.937 1.00 0.00 H new ATOM 0 HB3 GLN A2988 -3.755 20.789 -7.225 1.00 0.00 H new ATOM 0 HG2 GLN A2988 -2.031 20.120 -4.796 1.00 0.00 H new ATOM 0 HG3 GLN A2988 -1.918 19.298 -6.340 1.00 0.00 H new ATOM 0 HE21 GLN A2988 -1.350 22.302 -4.605 1.00 0.00 H new ATOM 0 HE22 GLN A2988 -0.338 23.068 -5.834 1.00 0.00 H new ATOM 562 N LEU A2989 -6.584 21.371 -5.919 1.00 0.00 N ATOM 563 CA LEU A2989 -7.833 21.554 -6.692 1.00 0.00 C ATOM 564 C LEU A2989 -8.915 22.260 -5.862 1.00 0.00 C ATOM 565 O LEU A2989 -9.802 22.903 -6.433 1.00 0.00 O ATOM 566 CB LEU A2989 -8.368 20.190 -7.226 1.00 0.00 C ATOM 567 CG LEU A2989 -7.375 19.336 -8.107 1.00 0.00 C ATOM 568 CD1 LEU A2989 -6.621 20.199 -9.153 1.00 0.00 C ATOM 569 CD2 LEU A2989 -6.401 18.505 -7.232 1.00 0.00 C ATOM 0 H LEU A2989 -6.575 20.535 -5.334 1.00 0.00 H new ATOM 0 HA LEU A2989 -7.592 22.191 -7.543 1.00 0.00 H new ATOM 0 HB2 LEU A2989 -8.671 19.585 -6.371 1.00 0.00 H new ATOM 0 HB3 LEU A2989 -9.265 20.383 -7.814 1.00 0.00 H new ATOM 0 HG LEU A2989 -7.985 18.630 -8.671 1.00 0.00 H new ATOM 0 HD11 LEU A2989 -5.951 19.565 -9.733 1.00 0.00 H new ATOM 0 HD12 LEU A2989 -7.341 20.673 -9.821 1.00 0.00 H new ATOM 0 HD13 LEU A2989 -6.041 20.967 -8.641 1.00 0.00 H new ATOM 0 HD21 LEU A2989 -5.734 17.931 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU A2989 -5.813 19.175 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU A2989 -6.971 17.824 -6.600 1.00 0.00 H new ATOM 581 N GLY A2990 -8.845 22.111 -4.520 1.00 0.00 N ATOM 582 CA GLY A2990 -9.803 22.756 -3.608 1.00 0.00 C ATOM 583 C GLY A2990 -11.187 22.126 -3.617 1.00 0.00 C ATOM 584 O GLY A2990 -12.143 22.724 -3.107 1.00 0.00 O ATOM 0 H GLY A2990 -8.135 21.550 -4.050 1.00 0.00 H new ATOM 0 HA2 GLY A2990 -9.405 22.719 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A2990 -9.893 23.809 -3.877 1.00 0.00 H new ATOM 588 N ILE A2991 -11.289 20.914 -4.179 1.00 0.00 N ATOM 589 CA ILE A2991 -12.554 20.169 -4.283 1.00 0.00 C ATOM 590 C ILE A2991 -12.862 19.497 -2.919 1.00 0.00 C ATOM 591 O ILE A2991 -11.985 18.846 -2.330 1.00 0.00 O ATOM 592 CB ILE A2991 -12.491 19.132 -5.497 1.00 0.00 C ATOM 593 CG1 ILE A2991 -13.884 18.444 -5.808 1.00 0.00 C ATOM 594 CG2 ILE A2991 -11.360 18.078 -5.312 1.00 0.00 C ATOM 595 CD1 ILE A2991 -14.264 17.228 -4.958 1.00 0.00 C ATOM 0 H ILE A2991 -10.491 20.418 -4.577 1.00 0.00 H new ATOM 0 HA ILE A2991 -13.378 20.847 -4.507 1.00 0.00 H new ATOM 0 HB ILE A2991 -12.243 19.727 -6.376 1.00 0.00 H new ATOM 0 HG12 ILE A2991 -14.666 19.195 -5.694 1.00 0.00 H new ATOM 0 HG13 ILE A2991 -13.885 18.139 -6.855 1.00 0.00 H new ATOM 0 HG21 ILE A2991 -11.356 17.395 -6.162 1.00 0.00 H new ATOM 0 HG22 ILE A2991 -10.397 18.585 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE A2991 -11.534 17.515 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A2991 -15.238 16.854 -5.273 1.00 0.00 H new ATOM 0 HD12 ILE A2991 -13.516 16.446 -5.087 1.00 0.00 H new ATOM 0 HD13 ILE A2991 -14.309 17.518 -3.908 1.00 0.00 H new ATOM 607 N ARG A2992 -14.092 19.706 -2.399 1.00 0.00 N ATOM 608 CA ARG A2992 -14.529 19.142 -1.108 1.00 0.00 C ATOM 609 C ARG A2992 -15.248 17.790 -1.345 1.00 0.00 C ATOM 610 O ARG A2992 -16.252 17.736 -2.065 1.00 0.00 O ATOM 611 CB ARG A2992 -15.448 20.147 -0.333 1.00 0.00 C ATOM 612 CG ARG A2992 -16.786 20.513 -1.026 1.00 0.00 C ATOM 613 CD ARG A2992 -17.629 21.514 -0.229 1.00 0.00 C ATOM 614 NE ARG A2992 -18.881 21.851 -0.938 1.00 0.00 N ATOM 615 CZ ARG A2992 -19.966 22.413 -0.376 1.00 0.00 C ATOM 616 NH1 ARG A2992 -19.979 22.710 0.914 1.00 0.00 N ATOM 617 NH2 ARG A2992 -21.037 22.670 -1.109 1.00 0.00 N ATOM 0 H ARG A2992 -14.805 20.269 -2.863 1.00 0.00 H new ATOM 0 HA ARG A2992 -13.651 18.966 -0.487 1.00 0.00 H new ATOM 0 HB2 ARG A2992 -15.672 19.724 0.646 1.00 0.00 H new ATOM 0 HB3 ARG A2992 -14.886 21.065 -0.162 1.00 0.00 H new ATOM 0 HG2 ARG A2992 -16.575 20.930 -2.011 1.00 0.00 H new ATOM 0 HG3 ARG A2992 -17.366 19.604 -1.183 1.00 0.00 H new ATOM 0 HD2 ARG A2992 -17.865 21.095 0.749 1.00 0.00 H new ATOM 0 HD3 ARG A2992 -17.051 22.422 -0.056 1.00 0.00 H new ATOM 0 HE ARG A2992 -18.926 21.640 -1.935 1.00 0.00 H new ATOM 0 HH11 ARG A2992 -19.161 22.513 1.491 1.00 0.00 H new ATOM 0 HH12 ARG A2992 -20.807 23.136 1.331 1.00 0.00 H new ATOM 0 HH21 ARG A2992 -21.041 22.442 -2.103 1.00 0.00 H new ATOM 0 HH22 ARG A2992 -21.858 23.096 -0.680 1.00 0.00 H new