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 45:sc= 0.152 USER MOD Single : A2971 SER OG : rot 180:sc= 0 USER MOD Single : A2986 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A2987 ASN : amide:sc= -0.0952 K(o=-0.095,f=-0.89) USER MOD Single : A2988 GLN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ASP A2957 -7.835 5.698 -11.739 1.00 0.00 N ATOM 82 CA ASP A2957 -7.278 5.515 -13.096 1.00 0.00 C ATOM 83 C ASP A2957 -8.334 5.933 -14.153 1.00 0.00 C ATOM 84 O ASP A2957 -9.458 5.443 -14.095 1.00 0.00 O ATOM 85 CB ASP A2957 -6.856 4.034 -13.293 1.00 0.00 C ATOM 86 CG ASP A2957 -6.289 3.738 -14.694 1.00 0.00 C ATOM 87 OD1 ASP A2957 -5.091 3.988 -14.930 1.00 0.00 O ATOM 88 OD2 ASP A2957 -7.038 3.256 -15.566 1.00 0.00 O ATOM 0 HA ASP A2957 -6.396 6.144 -13.219 1.00 0.00 H new ATOM 0 HB2 ASP A2957 -6.107 3.775 -12.545 1.00 0.00 H new ATOM 0 HB3 ASP A2957 -7.719 3.392 -13.116 1.00 0.00 H new ATOM 93 N PRO A2958 -7.992 6.844 -15.132 1.00 0.00 N ATOM 94 CA PRO A2958 -8.928 7.295 -16.212 1.00 0.00 C ATOM 95 C PRO A2958 -9.640 6.133 -16.949 1.00 0.00 C ATOM 96 O PRO A2958 -10.860 6.169 -17.172 1.00 0.00 O ATOM 97 CB PRO A2958 -8.006 8.075 -17.190 1.00 0.00 C ATOM 98 CG PRO A2958 -6.856 8.544 -16.351 1.00 0.00 C ATOM 99 CD PRO A2958 -6.675 7.520 -15.243 1.00 0.00 C ATOM 0 HA PRO A2958 -9.745 7.886 -15.798 1.00 0.00 H new ATOM 0 HB2 PRO A2958 -7.665 7.436 -18.005 1.00 0.00 H new ATOM 0 HB3 PRO A2958 -8.532 8.915 -17.643 1.00 0.00 H new ATOM 0 HG2 PRO A2958 -5.950 8.629 -16.950 1.00 0.00 H new ATOM 0 HG3 PRO A2958 -7.058 9.531 -15.936 1.00 0.00 H new ATOM 0 HD2 PRO A2958 -5.885 6.809 -15.486 1.00 0.00 H new ATOM 0 HD3 PRO A2958 -6.396 7.998 -14.304 1.00 0.00 H new ATOM 107 N LEU A2959 -8.859 5.090 -17.275 1.00 0.00 N ATOM 108 CA LEU A2959 -9.321 3.919 -18.053 1.00 0.00 C ATOM 109 C LEU A2959 -10.082 2.900 -17.171 1.00 0.00 C ATOM 110 O LEU A2959 -10.606 1.906 -17.685 1.00 0.00 O ATOM 111 CB LEU A2959 -8.110 3.263 -18.801 1.00 0.00 C ATOM 112 CG LEU A2959 -7.952 3.634 -20.314 1.00 0.00 C ATOM 113 CD1 LEU A2959 -9.133 3.080 -21.155 1.00 0.00 C ATOM 114 CD2 LEU A2959 -7.790 5.166 -20.503 1.00 0.00 C ATOM 0 H LEU A2959 -7.877 5.032 -17.005 1.00 0.00 H new ATOM 0 HA LEU A2959 -10.037 4.264 -18.799 1.00 0.00 H new ATOM 0 HB2 LEU A2959 -7.194 3.543 -18.282 1.00 0.00 H new ATOM 0 HB3 LEU A2959 -8.203 2.180 -18.721 1.00 0.00 H new ATOM 0 HG LEU A2959 -7.040 3.161 -20.678 1.00 0.00 H new ATOM 0 HD11 LEU A2959 -8.995 3.354 -22.201 1.00 0.00 H new ATOM 0 HD12 LEU A2959 -9.166 1.994 -21.065 1.00 0.00 H new ATOM 0 HD13 LEU A2959 -10.069 3.502 -20.790 1.00 0.00 H new ATOM 0 HD21 LEU A2959 -7.682 5.392 -21.564 1.00 0.00 H new ATOM 0 HD22 LEU A2959 -8.670 5.676 -20.110 1.00 0.00 H new ATOM 0 HD23 LEU A2959 -6.904 5.507 -19.968 1.00 0.00 H new ATOM 126 N ALA A2960 -10.130 3.154 -15.848 1.00 0.00 N ATOM 127 CA ALA A2960 -11.021 2.418 -14.918 1.00 0.00 C ATOM 128 C ALA A2960 -12.478 2.910 -15.039 1.00 0.00 C ATOM 129 O ALA A2960 -13.395 2.303 -14.477 1.00 0.00 O ATOM 130 CB ALA A2960 -10.525 2.568 -13.473 1.00 0.00 C ATOM 0 H ALA A2960 -9.560 3.867 -15.394 1.00 0.00 H new ATOM 0 HA ALA A2960 -10.997 1.363 -15.191 1.00 0.00 H new ATOM 0 HB1 ALA A2960 -11.189 2.023 -12.802 1.00 0.00 H new ATOM 0 HB2 ALA A2960 -9.515 2.165 -13.391 1.00 0.00 H new ATOM 0 HB3 ALA A2960 -10.518 3.623 -13.198 1.00 0.00 H new ATOM 136 N GLY A2961 -12.674 4.034 -15.759 1.00 0.00 N ATOM 137 CA GLY A2961 -13.999 4.600 -16.006 1.00 0.00 C ATOM 138 C GLY A2961 -14.505 5.486 -14.873 1.00 0.00 C ATOM 139 O GLY A2961 -15.665 5.909 -14.884 1.00 0.00 O ATOM 0 H GLY A2961 -11.914 4.567 -16.181 1.00 0.00 H new ATOM 0 HA2 GLY A2961 -13.970 5.183 -16.927 1.00 0.00 H new ATOM 0 HA3 GLY A2961 -14.708 3.788 -16.165 1.00 0.00 H new ATOM 143 N ILE A2962 -13.626 5.765 -13.888 1.00 0.00 N ATOM 144 CA ILE A2962 -13.943 6.642 -12.740 1.00 0.00 C ATOM 145 C ILE A2962 -13.932 8.129 -13.157 1.00 0.00 C ATOM 146 O ILE A2962 -13.589 8.468 -14.296 1.00 0.00 O ATOM 147 CB ILE A2962 -12.973 6.359 -11.503 1.00 0.00 C ATOM 148 CG1 ILE A2962 -11.447 6.416 -11.889 1.00 0.00 C ATOM 149 CG2 ILE A2962 -13.305 4.986 -10.857 1.00 0.00 C ATOM 150 CD1 ILE A2962 -10.862 7.800 -12.157 1.00 0.00 C ATOM 0 H ILE A2962 -12.678 5.390 -13.865 1.00 0.00 H new ATOM 0 HA ILE A2962 -14.954 6.407 -12.408 1.00 0.00 H new ATOM 0 HB ILE A2962 -13.149 7.158 -10.783 1.00 0.00 H new ATOM 0 HG12 ILE A2962 -10.875 5.954 -11.085 1.00 0.00 H new ATOM 0 HG13 ILE A2962 -11.297 5.805 -12.779 1.00 0.00 H new ATOM 0 HG21 ILE A2962 -12.635 4.808 -10.016 1.00 0.00 H new ATOM 0 HG22 ILE A2962 -14.337 4.989 -10.505 1.00 0.00 H new ATOM 0 HG23 ILE A2962 -13.177 4.195 -11.596 1.00 0.00 H new ATOM 0 HD11 ILE A2962 -9.806 7.706 -12.412 1.00 0.00 H new ATOM 0 HD12 ILE A2962 -11.395 8.266 -12.985 1.00 0.00 H new ATOM 0 HD13 ILE A2962 -10.966 8.418 -11.265 1.00 0.00 H new ATOM 162 N SER A2963 -14.304 9.008 -12.227 1.00 0.00 N ATOM 163 CA SER A2963 -14.290 10.464 -12.445 1.00 0.00 C ATOM 164 C SER A2963 -13.401 11.143 -11.390 1.00 0.00 C ATOM 165 O SER A2963 -13.840 11.412 -10.266 1.00 0.00 O ATOM 166 CB SER A2963 -15.738 11.014 -12.434 1.00 0.00 C ATOM 167 OG SER A2963 -16.456 10.580 -11.285 1.00 0.00 O ATOM 0 H SER A2963 -14.625 8.736 -11.298 1.00 0.00 H new ATOM 0 HA SER A2963 -13.864 10.688 -13.423 1.00 0.00 H new ATOM 0 HB2 SER A2963 -15.714 12.103 -12.458 1.00 0.00 H new ATOM 0 HB3 SER A2963 -16.259 10.687 -13.334 1.00 0.00 H new ATOM 0 HG SER A2963 -15.890 10.675 -10.490 1.00 0.00 H new ATOM 173 N LEU A2964 -12.113 11.344 -11.740 1.00 0.00 N ATOM 174 CA LEU A2964 -11.169 12.152 -10.935 1.00 0.00 C ATOM 175 C LEU A2964 -11.251 13.631 -11.390 1.00 0.00 C ATOM 176 O LEU A2964 -11.617 13.887 -12.548 1.00 0.00 O ATOM 177 CB LEU A2964 -9.708 11.557 -11.024 1.00 0.00 C ATOM 178 CG LEU A2964 -9.060 11.333 -12.453 1.00 0.00 C ATOM 179 CD1 LEU A2964 -8.558 12.645 -13.097 1.00 0.00 C ATOM 180 CD2 LEU A2964 -7.916 10.293 -12.398 1.00 0.00 C ATOM 0 H LEU A2964 -11.698 10.953 -12.586 1.00 0.00 H new ATOM 0 HA LEU A2964 -11.445 12.114 -9.881 1.00 0.00 H new ATOM 0 HB2 LEU A2964 -9.048 12.218 -10.462 1.00 0.00 H new ATOM 0 HB3 LEU A2964 -9.711 10.596 -10.509 1.00 0.00 H new ATOM 0 HG LEU A2964 -9.858 10.946 -13.087 1.00 0.00 H new ATOM 0 HD11 LEU A2964 -8.125 12.428 -14.073 1.00 0.00 H new ATOM 0 HD12 LEU A2964 -9.393 13.335 -13.216 1.00 0.00 H new ATOM 0 HD13 LEU A2964 -7.801 13.098 -12.457 1.00 0.00 H new ATOM 0 HD21 LEU A2964 -7.494 10.163 -13.395 1.00 0.00 H new ATOM 0 HD22 LEU A2964 -7.139 10.642 -11.717 1.00 0.00 H new ATOM 0 HD23 LEU A2964 -8.308 9.340 -12.043 1.00 0.00 H new ATOM 192 N PRO A2965 -10.939 14.633 -10.495 1.00 0.00 N ATOM 193 CA PRO A2965 -10.972 16.079 -10.865 1.00 0.00 C ATOM 194 C PRO A2965 -9.941 16.429 -11.977 1.00 0.00 C ATOM 195 O PRO A2965 -8.908 15.758 -12.112 1.00 0.00 O ATOM 196 CB PRO A2965 -10.668 16.809 -9.525 1.00 0.00 C ATOM 197 CG PRO A2965 -9.964 15.785 -8.678 1.00 0.00 C ATOM 198 CD PRO A2965 -10.564 14.450 -9.062 1.00 0.00 C ATOM 0 HA PRO A2965 -11.929 16.377 -11.294 1.00 0.00 H new ATOM 0 HB2 PRO A2965 -10.042 17.686 -9.686 1.00 0.00 H new ATOM 0 HB3 PRO A2965 -11.584 17.155 -9.047 1.00 0.00 H new ATOM 0 HG2 PRO A2965 -8.890 15.798 -8.861 1.00 0.00 H new ATOM 0 HG3 PRO A2965 -10.109 15.988 -7.617 1.00 0.00 H new ATOM 0 HD2 PRO A2965 -9.848 13.638 -8.935 1.00 0.00 H new ATOM 0 HD3 PRO A2965 -11.432 14.209 -8.448 1.00 0.00 H new ATOM 206 N GLU A2966 -10.248 17.479 -12.767 1.00 0.00 N ATOM 207 CA GLU A2966 -9.423 17.894 -13.923 1.00 0.00 C ATOM 208 C GLU A2966 -8.083 18.509 -13.474 1.00 0.00 C ATOM 209 O GLU A2966 -8.007 19.173 -12.431 1.00 0.00 O ATOM 210 CB GLU A2966 -10.195 18.894 -14.819 1.00 0.00 C ATOM 211 CG GLU A2966 -11.458 18.319 -15.489 1.00 0.00 C ATOM 212 CD GLU A2966 -12.140 19.328 -16.430 1.00 0.00 C ATOM 213 OE1 GLU A2966 -12.797 20.264 -15.927 1.00 0.00 O ATOM 214 OE2 GLU A2966 -12.012 19.200 -17.667 1.00 0.00 O ATOM 0 H GLU A2966 -11.072 18.062 -12.623 1.00 0.00 H new ATOM 0 HA GLU A2966 -9.204 16.997 -14.503 1.00 0.00 H new ATOM 0 HB2 GLU A2966 -10.481 19.755 -14.215 1.00 0.00 H new ATOM 0 HB3 GLU A2966 -9.523 19.258 -15.596 1.00 0.00 H new ATOM 0 HG2 GLU A2966 -11.191 17.425 -16.053 1.00 0.00 H new ATOM 0 HG3 GLU A2966 -12.165 18.011 -14.719 1.00 0.00 H new ATOM 221 N GLY A2967 -7.034 18.259 -14.286 1.00 0.00 N ATOM 222 CA GLY A2967 -5.688 18.778 -14.032 1.00 0.00 C ATOM 223 C GLY A2967 -4.942 18.008 -12.954 1.00 0.00 C ATOM 224 O GLY A2967 -3.962 18.513 -12.401 1.00 0.00 O ATOM 0 H GLY A2967 -7.104 17.693 -15.132 1.00 0.00 H new ATOM 0 HA2 GLY A2967 -5.112 18.745 -14.957 1.00 0.00 H new ATOM 0 HA3 GLY A2967 -5.759 19.825 -13.738 1.00 0.00 H new ATOM 228 N VAL A2968 -5.409 16.779 -12.656 1.00 0.00 N ATOM 229 CA VAL A2968 -4.849 15.913 -11.596 1.00 0.00 C ATOM 230 C VAL A2968 -4.356 14.597 -12.218 1.00 0.00 C ATOM 231 O VAL A2968 -5.161 13.816 -12.745 1.00 0.00 O ATOM 232 CB VAL A2968 -5.918 15.609 -10.481 1.00 0.00 C ATOM 233 CG1 VAL A2968 -5.310 14.813 -9.296 1.00 0.00 C ATOM 234 CG2 VAL A2968 -6.581 16.914 -9.999 1.00 0.00 C ATOM 0 H VAL A2968 -6.194 16.354 -13.149 1.00 0.00 H new ATOM 0 HA VAL A2968 -4.016 16.438 -11.129 1.00 0.00 H new ATOM 0 HB VAL A2968 -6.687 14.976 -10.923 1.00 0.00 H new ATOM 0 HG11 VAL A2968 -6.082 14.625 -8.550 1.00 0.00 H new ATOM 0 HG12 VAL A2968 -4.917 13.863 -9.659 1.00 0.00 H new ATOM 0 HG13 VAL A2968 -4.503 15.391 -8.845 1.00 0.00 H new ATOM 0 HG21 VAL A2968 -7.317 16.685 -9.228 1.00 0.00 H new ATOM 0 HG22 VAL A2968 -5.821 17.578 -9.588 1.00 0.00 H new ATOM 0 HG23 VAL A2968 -7.075 17.403 -10.839 1.00 0.00 H new ATOM 244 N ASP A2969 -3.034 14.373 -12.161 1.00 0.00 N ATOM 245 CA ASP A2969 -2.398 13.185 -12.743 1.00 0.00 C ATOM 246 C ASP A2969 -2.445 12.024 -11.733 1.00 0.00 C ATOM 247 O ASP A2969 -2.009 12.193 -10.589 1.00 0.00 O ATOM 248 CB ASP A2969 -0.937 13.491 -13.154 1.00 0.00 C ATOM 249 CG ASP A2969 -0.851 14.566 -14.249 1.00 0.00 C ATOM 250 OD1 ASP A2969 -1.156 14.259 -15.418 1.00 0.00 O ATOM 251 OD2 ASP A2969 -0.485 15.722 -13.944 1.00 0.00 O ATOM 0 H ASP A2969 -2.378 15.011 -11.710 1.00 0.00 H new ATOM 0 HA ASP A2969 -2.945 12.897 -13.641 1.00 0.00 H new ATOM 0 HB2 ASP A2969 -0.378 13.822 -12.279 1.00 0.00 H new ATOM 0 HB3 ASP A2969 -0.463 12.576 -13.509 1.00 0.00 H new ATOM 256 N PRO A2970 -2.978 10.827 -12.142 1.00 0.00 N ATOM 257 CA PRO A2970 -3.092 9.638 -11.262 1.00 0.00 C ATOM 258 C PRO A2970 -1.734 9.004 -10.892 1.00 0.00 C ATOM 259 O PRO A2970 -1.697 8.131 -10.038 1.00 0.00 O ATOM 260 CB PRO A2970 -3.959 8.658 -12.093 1.00 0.00 C ATOM 261 CG PRO A2970 -3.699 9.046 -13.510 1.00 0.00 C ATOM 262 CD PRO A2970 -3.539 10.546 -13.491 1.00 0.00 C ATOM 0 HA PRO A2970 -3.523 9.900 -10.296 1.00 0.00 H new ATOM 0 HB2 PRO A2970 -3.678 7.622 -11.906 1.00 0.00 H new ATOM 0 HB3 PRO A2970 -5.016 8.751 -11.843 1.00 0.00 H new ATOM 0 HG2 PRO A2970 -2.801 8.560 -13.892 1.00 0.00 H new ATOM 0 HG3 PRO A2970 -4.524 8.747 -14.157 1.00 0.00 H new ATOM 0 HD2 PRO A2970 -2.870 10.887 -14.281 1.00 0.00 H new ATOM 0 HD3 PRO A2970 -4.493 11.052 -13.641 1.00 0.00 H new ATOM 270 N SER A2971 -0.637 9.451 -11.538 1.00 0.00 N ATOM 271 CA SER A2971 0.721 8.933 -11.283 1.00 0.00 C ATOM 272 C SER A2971 1.121 9.116 -9.803 1.00 0.00 C ATOM 273 O SER A2971 1.408 8.137 -9.106 1.00 0.00 O ATOM 274 CB SER A2971 1.728 9.636 -12.216 1.00 0.00 C ATOM 275 OG SER A2971 1.328 9.518 -13.568 1.00 0.00 O ATOM 0 H SER A2971 -0.669 10.181 -12.250 1.00 0.00 H new ATOM 0 HA SER A2971 0.731 7.863 -11.492 1.00 0.00 H new ATOM 0 HB2 SER A2971 1.807 10.689 -11.946 1.00 0.00 H new ATOM 0 HB3 SER A2971 2.718 9.199 -12.086 1.00 0.00 H new ATOM 0 HG SER A2971 1.979 9.972 -14.143 1.00 0.00 H new ATOM 281 N PHE A2972 1.090 10.377 -9.324 1.00 0.00 N ATOM 282 CA PHE A2972 1.421 10.697 -7.917 1.00 0.00 C ATOM 283 C PHE A2972 0.245 10.333 -6.998 1.00 0.00 C ATOM 284 O PHE A2972 0.437 9.929 -5.856 1.00 0.00 O ATOM 285 CB PHE A2972 1.818 12.200 -7.756 1.00 0.00 C ATOM 286 CG PHE A2972 0.755 13.242 -8.169 1.00 0.00 C ATOM 287 CD1 PHE A2972 -0.265 13.639 -7.286 1.00 0.00 C ATOM 288 CD2 PHE A2972 0.788 13.844 -9.430 1.00 0.00 C ATOM 289 CE1 PHE A2972 -1.208 14.578 -7.655 1.00 0.00 C ATOM 290 CE2 PHE A2972 -0.160 14.785 -9.794 1.00 0.00 C ATOM 291 CZ PHE A2972 -1.156 15.151 -8.907 1.00 0.00 C ATOM 0 H PHE A2972 0.840 11.189 -9.888 1.00 0.00 H new ATOM 0 HA PHE A2972 2.284 10.100 -7.624 1.00 0.00 H new ATOM 0 HB2 PHE A2972 2.079 12.374 -6.712 1.00 0.00 H new ATOM 0 HB3 PHE A2972 2.718 12.380 -8.344 1.00 0.00 H new ATOM 0 HD1 PHE A2972 -0.312 13.201 -6.300 1.00 0.00 H new ATOM 0 HD2 PHE A2972 1.564 13.571 -10.130 1.00 0.00 H new ATOM 0 HE1 PHE A2972 -1.986 14.863 -6.962 1.00 0.00 H new ATOM 0 HE2 PHE A2972 -0.122 15.235 -10.775 1.00 0.00 H new ATOM 0 HZ PHE A2972 -1.893 15.886 -9.196 1.00 0.00 H new ATOM 301 N LEU A2973 -0.969 10.457 -7.546 1.00 0.00 N ATOM 302 CA LEU A2973 -2.227 10.292 -6.805 1.00 0.00 C ATOM 303 C LEU A2973 -2.417 8.822 -6.343 1.00 0.00 C ATOM 304 O LEU A2973 -3.017 8.554 -5.306 1.00 0.00 O ATOM 305 CB LEU A2973 -3.388 10.750 -7.729 1.00 0.00 C ATOM 306 CG LEU A2973 -4.749 11.094 -7.055 1.00 0.00 C ATOM 307 CD1 LEU A2973 -4.608 12.311 -6.102 1.00 0.00 C ATOM 308 CD2 LEU A2973 -5.844 11.333 -8.123 1.00 0.00 C ATOM 0 H LEU A2973 -1.108 10.678 -8.532 1.00 0.00 H new ATOM 0 HA LEU A2973 -2.211 10.901 -5.901 1.00 0.00 H new ATOM 0 HB2 LEU A2973 -3.053 11.629 -8.279 1.00 0.00 H new ATOM 0 HB3 LEU A2973 -3.565 9.963 -8.462 1.00 0.00 H new ATOM 0 HG LEU A2973 -5.055 10.241 -6.450 1.00 0.00 H new ATOM 0 HD11 LEU A2973 -5.573 12.529 -5.645 1.00 0.00 H new ATOM 0 HD12 LEU A2973 -3.881 12.081 -5.323 1.00 0.00 H new ATOM 0 HD13 LEU A2973 -4.270 13.179 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A2973 -6.787 11.572 -7.631 1.00 0.00 H new ATOM 0 HD22 LEU A2973 -5.550 12.163 -8.766 1.00 0.00 H new ATOM 0 HD23 LEU A2973 -5.967 10.433 -8.725 1.00 0.00 H new ATOM 320 N ALA A2974 -1.885 7.883 -7.145 1.00 0.00 N ATOM 321 CA ALA A2974 -1.985 6.436 -6.894 1.00 0.00 C ATOM 322 C ALA A2974 -0.753 5.912 -6.139 1.00 0.00 C ATOM 323 O ALA A2974 -0.885 5.254 -5.101 1.00 0.00 O ATOM 324 CB ALA A2974 -2.145 5.692 -8.231 1.00 0.00 C ATOM 0 H ALA A2974 -1.368 8.111 -7.994 1.00 0.00 H new ATOM 0 HA ALA A2974 -2.859 6.255 -6.268 1.00 0.00 H new ATOM 0 HB1 ALA A2974 -2.219 4.621 -8.045 1.00 0.00 H new ATOM 0 HB2 ALA A2974 -3.049 6.036 -8.733 1.00 0.00 H new ATOM 0 HB3 ALA A2974 -1.280 5.891 -8.864 1.00 0.00 H new ATOM 330 N ALA A2975 0.444 6.223 -6.681 1.00 0.00 N ATOM 331 CA ALA A2975 1.725 5.626 -6.229 1.00 0.00 C ATOM 332 C ALA A2975 2.132 6.083 -4.813 1.00 0.00 C ATOM 333 O ALA A2975 2.723 5.309 -4.046 1.00 0.00 O ATOM 334 CB ALA A2975 2.841 5.955 -7.237 1.00 0.00 C ATOM 0 H ALA A2975 0.552 6.893 -7.442 1.00 0.00 H new ATOM 0 HA ALA A2975 1.577 4.547 -6.180 1.00 0.00 H new ATOM 0 HB1 ALA A2975 3.778 5.514 -6.899 1.00 0.00 H new ATOM 0 HB2 ALA A2975 2.580 5.548 -8.214 1.00 0.00 H new ATOM 0 HB3 ALA A2975 2.956 7.036 -7.313 1.00 0.00 H new ATOM 340 N LEU A2976 1.820 7.345 -4.489 1.00 0.00 N ATOM 341 CA LEU A2976 2.128 7.940 -3.174 1.00 0.00 C ATOM 342 C LEU A2976 1.059 7.527 -2.128 1.00 0.00 C ATOM 343 O LEU A2976 -0.095 7.276 -2.504 1.00 0.00 O ATOM 344 CB LEU A2976 2.219 9.481 -3.312 1.00 0.00 C ATOM 345 CG LEU A2976 3.376 10.024 -4.214 1.00 0.00 C ATOM 346 CD1 LEU A2976 3.347 11.566 -4.293 1.00 0.00 C ATOM 347 CD2 LEU A2976 4.758 9.518 -3.722 1.00 0.00 C ATOM 0 H LEU A2976 1.347 7.985 -5.128 1.00 0.00 H new ATOM 0 HA LEU A2976 3.090 7.567 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A2976 1.273 9.846 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A2976 2.331 9.909 -2.316 1.00 0.00 H new ATOM 0 HG LEU A2976 3.218 9.636 -5.220 1.00 0.00 H new ATOM 0 HD11 LEU A2976 4.163 11.913 -4.927 1.00 0.00 H new ATOM 0 HD12 LEU A2976 2.396 11.891 -4.715 1.00 0.00 H new ATOM 0 HD13 LEU A2976 3.461 11.984 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU A2976 5.541 9.912 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A2976 4.927 9.857 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A2976 4.778 8.429 -3.751 1.00 0.00 H new ATOM 359 N PRO A2977 1.438 7.431 -0.799 1.00 0.00 N ATOM 360 CA PRO A2977 0.506 7.015 0.297 1.00 0.00 C ATOM 361 C PRO A2977 -0.681 7.992 0.507 1.00 0.00 C ATOM 362 O PRO A2977 -0.686 9.105 -0.030 1.00 0.00 O ATOM 363 CB PRO A2977 1.429 6.952 1.549 1.00 0.00 C ATOM 364 CG PRO A2977 2.579 7.851 1.224 1.00 0.00 C ATOM 365 CD PRO A2977 2.805 7.699 -0.264 1.00 0.00 C ATOM 0 HA PRO A2977 0.015 6.069 0.070 1.00 0.00 H new ATOM 0 HB2 PRO A2977 0.905 7.288 2.444 1.00 0.00 H new ATOM 0 HB3 PRO A2977 1.766 5.933 1.741 1.00 0.00 H new ATOM 0 HG2 PRO A2977 2.353 8.886 1.483 1.00 0.00 H new ATOM 0 HG3 PRO A2977 3.469 7.569 1.787 1.00 0.00 H new ATOM 0 HD2 PRO A2977 3.236 8.601 -0.699 1.00 0.00 H new ATOM 0 HD3 PRO A2977 3.490 6.880 -0.484 1.00 0.00 H new ATOM 373 N ASP A2978 -1.667 7.576 1.334 1.00 0.00 N ATOM 374 CA ASP A2978 -2.968 8.282 1.469 1.00 0.00 C ATOM 375 C ASP A2978 -2.848 9.686 2.110 1.00 0.00 C ATOM 376 O ASP A2978 -3.757 10.511 1.952 1.00 0.00 O ATOM 377 CB ASP A2978 -3.986 7.416 2.256 1.00 0.00 C ATOM 378 CG ASP A2978 -3.657 7.274 3.758 1.00 0.00 C ATOM 379 OD1 ASP A2978 -2.849 6.397 4.116 1.00 0.00 O ATOM 380 OD2 ASP A2978 -4.216 8.038 4.589 1.00 0.00 O ATOM 0 H ASP A2978 -1.588 6.748 1.924 1.00 0.00 H new ATOM 0 HA ASP A2978 -3.331 8.437 0.453 1.00 0.00 H new ATOM 0 HB2 ASP A2978 -4.978 7.854 2.151 1.00 0.00 H new ATOM 0 HB3 ASP A2978 -4.027 6.423 1.808 1.00 0.00 H new ATOM 385 N ASP A2979 -1.728 9.952 2.806 1.00 0.00 N ATOM 386 CA ASP A2979 -1.541 11.191 3.587 1.00 0.00 C ATOM 387 C ASP A2979 -1.373 12.422 2.677 1.00 0.00 C ATOM 388 O ASP A2979 -2.143 13.395 2.779 1.00 0.00 O ATOM 389 CB ASP A2979 -0.320 11.039 4.520 1.00 0.00 C ATOM 390 CG ASP A2979 -0.467 9.866 5.501 1.00 0.00 C ATOM 391 OD1 ASP A2979 -1.108 10.041 6.556 1.00 0.00 O ATOM 392 OD2 ASP A2979 0.058 8.768 5.217 1.00 0.00 O ATOM 0 H ASP A2979 -0.930 9.318 2.844 1.00 0.00 H new ATOM 0 HA ASP A2979 -2.438 11.351 4.185 1.00 0.00 H new ATOM 0 HB2 ASP A2979 0.577 10.894 3.918 1.00 0.00 H new ATOM 0 HB3 ASP A2979 -0.180 11.962 5.082 1.00 0.00 H new ATOM 397 N ILE A2980 -0.386 12.373 1.757 1.00 0.00 N ATOM 398 CA ILE A2980 -0.203 13.464 0.770 1.00 0.00 C ATOM 399 C ILE A2980 -1.280 13.379 -0.319 1.00 0.00 C ATOM 400 O ILE A2980 -1.668 14.395 -0.848 1.00 0.00 O ATOM 401 CB ILE A2980 1.235 13.570 0.117 1.00 0.00 C ATOM 402 CG1 ILE A2980 1.544 12.400 -0.852 1.00 0.00 C ATOM 403 CG2 ILE A2980 2.324 13.692 1.202 1.00 0.00 C ATOM 404 CD1 ILE A2980 1.771 11.071 -0.172 1.00 0.00 C ATOM 0 H ILE A2980 0.284 11.608 1.675 1.00 0.00 H new ATOM 0 HA ILE A2980 -0.308 14.382 1.349 1.00 0.00 H new ATOM 0 HB ILE A2980 1.239 14.479 -0.484 1.00 0.00 H new ATOM 0 HG12 ILE A2980 0.717 12.298 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A2980 2.429 12.652 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A2980 3.303 13.763 0.728 1.00 0.00 H new ATOM 0 HG22 ILE A2980 2.144 14.586 1.799 1.00 0.00 H new ATOM 0 HG23 ILE A2980 2.296 12.813 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A2980 1.981 10.309 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A2980 2.618 11.151 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A2980 0.879 10.792 0.389 1.00 0.00 H new ATOM 416 N ARG A2981 -1.765 12.153 -0.614 1.00 0.00 N ATOM 417 CA ARG A2981 -2.896 11.903 -1.546 1.00 0.00 C ATOM 418 C ARG A2981 -4.121 12.780 -1.194 1.00 0.00 C ATOM 419 O ARG A2981 -4.675 13.480 -2.068 1.00 0.00 O ATOM 420 CB ARG A2981 -3.232 10.373 -1.509 1.00 0.00 C ATOM 421 CG ARG A2981 -4.659 9.918 -1.902 1.00 0.00 C ATOM 422 CD ARG A2981 -5.004 10.131 -3.374 1.00 0.00 C ATOM 423 NE ARG A2981 -6.270 9.466 -3.736 1.00 0.00 N ATOM 424 CZ ARG A2981 -7.499 9.833 -3.312 1.00 0.00 C ATOM 425 NH1 ARG A2981 -7.682 10.970 -2.643 1.00 0.00 N ATOM 426 NH2 ARG A2981 -8.544 9.071 -3.597 1.00 0.00 N ATOM 0 H ARG A2981 -1.381 11.298 -0.210 1.00 0.00 H new ATOM 0 HA ARG A2981 -2.612 12.182 -2.561 1.00 0.00 H new ATOM 0 HB2 ARG A2981 -2.529 9.864 -2.168 1.00 0.00 H new ATOM 0 HB3 ARG A2981 -3.037 10.016 -0.498 1.00 0.00 H new ATOM 0 HG2 ARG A2981 -4.768 8.860 -1.665 1.00 0.00 H new ATOM 0 HG3 ARG A2981 -5.381 10.458 -1.290 1.00 0.00 H new ATOM 0 HD2 ARG A2981 -5.081 11.199 -3.580 1.00 0.00 H new ATOM 0 HD3 ARG A2981 -4.198 9.744 -3.997 1.00 0.00 H new ATOM 0 HE ARG A2981 -6.213 8.661 -4.359 1.00 0.00 H new ATOM 0 HH11 ARG A2981 -6.888 11.578 -2.444 1.00 0.00 H new ATOM 0 HH12 ARG A2981 -8.617 11.233 -2.330 1.00 0.00 H new ATOM 0 HH21 ARG A2981 -8.418 8.213 -4.134 1.00 0.00 H new ATOM 0 HH22 ARG A2981 -9.475 9.342 -3.280 1.00 0.00 H new ATOM 440 N ARG A2982 -4.505 12.779 0.098 1.00 0.00 N ATOM 441 CA ARG A2982 -5.690 13.511 0.570 1.00 0.00 C ATOM 442 C ARG A2982 -5.426 15.029 0.631 1.00 0.00 C ATOM 443 O ARG A2982 -6.310 15.823 0.268 1.00 0.00 O ATOM 444 CB ARG A2982 -6.183 12.987 1.954 1.00 0.00 C ATOM 445 CG ARG A2982 -5.242 13.259 3.148 1.00 0.00 C ATOM 446 CD ARG A2982 -5.858 12.865 4.495 1.00 0.00 C ATOM 447 NE ARG A2982 -7.127 13.571 4.732 1.00 0.00 N ATOM 448 CZ ARG A2982 -7.890 13.457 5.827 1.00 0.00 C ATOM 449 NH1 ARG A2982 -7.531 12.667 6.834 1.00 0.00 N ATOM 450 NH2 ARG A2982 -9.012 14.149 5.913 1.00 0.00 N ATOM 0 H ARG A2982 -4.007 12.276 0.833 1.00 0.00 H new ATOM 0 HA ARG A2982 -6.482 13.330 -0.156 1.00 0.00 H new ATOM 0 HB2 ARG A2982 -7.152 13.439 2.169 1.00 0.00 H new ATOM 0 HB3 ARG A2982 -6.342 11.911 1.879 1.00 0.00 H new ATOM 0 HG2 ARG A2982 -4.312 12.708 3.004 1.00 0.00 H new ATOM 0 HG3 ARG A2982 -4.985 14.318 3.168 1.00 0.00 H new ATOM 0 HD2 ARG A2982 -6.029 11.789 4.518 1.00 0.00 H new ATOM 0 HD3 ARG A2982 -5.157 13.093 5.298 1.00 0.00 H new ATOM 0 HE ARG A2982 -7.454 14.201 4.000 1.00 0.00 H new ATOM 0 HH11 ARG A2982 -6.662 12.135 6.780 1.00 0.00 H new ATOM 0 HH12 ARG A2982 -8.124 12.592 7.660 1.00 0.00 H new ATOM 0 HH21 ARG A2982 -9.292 14.764 5.149 1.00 0.00 H new ATOM 0 HH22 ARG A2982 -9.599 14.068 6.743 1.00 0.00 H new ATOM 464 N GLU A2983 -4.201 15.437 1.073 1.00 0.00 N ATOM 465 CA GLU A2983 -3.889 16.864 1.250 1.00 0.00 C ATOM 466 C GLU A2983 -3.732 17.559 -0.112 1.00 0.00 C ATOM 467 O GLU A2983 -4.270 18.637 -0.297 1.00 0.00 O ATOM 468 CB GLU A2983 -2.652 17.105 2.162 1.00 0.00 C ATOM 469 CG GLU A2983 -1.295 16.786 1.530 1.00 0.00 C ATOM 470 CD GLU A2983 -0.108 17.038 2.467 1.00 0.00 C ATOM 471 OE1 GLU A2983 0.378 18.187 2.530 1.00 0.00 O ATOM 472 OE2 GLU A2983 0.338 16.090 3.146 1.00 0.00 O ATOM 0 H GLU A2983 -3.436 14.803 1.306 1.00 0.00 H new ATOM 0 HA GLU A2983 -4.736 17.312 1.769 1.00 0.00 H new ATOM 0 HB2 GLU A2983 -2.651 18.149 2.475 1.00 0.00 H new ATOM 0 HB3 GLU A2983 -2.764 16.502 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A2983 -1.285 15.742 1.218 1.00 0.00 H new ATOM 0 HG3 GLU A2983 -1.172 17.389 0.630 1.00 0.00 H new ATOM 479 N VAL A2984 -3.041 16.917 -1.086 1.00 0.00 N ATOM 480 CA VAL A2984 -2.861 17.489 -2.443 1.00 0.00 C ATOM 481 C VAL A2984 -4.217 17.583 -3.164 1.00 0.00 C ATOM 482 O VAL A2984 -4.428 18.480 -3.963 1.00 0.00 O ATOM 483 CB VAL A2984 -1.809 16.698 -3.334 1.00 0.00 C ATOM 484 CG1 VAL A2984 -0.432 16.626 -2.628 1.00 0.00 C ATOM 485 CG2 VAL A2984 -2.325 15.291 -3.757 1.00 0.00 C ATOM 0 H VAL A2984 -2.601 16.006 -0.958 1.00 0.00 H new ATOM 0 HA VAL A2984 -2.447 18.488 -2.304 1.00 0.00 H new ATOM 0 HB VAL A2984 -1.679 17.260 -4.259 1.00 0.00 H new ATOM 0 HG11 VAL A2984 0.271 16.080 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A2984 -0.058 17.635 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A2984 -0.539 16.112 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A2984 -1.568 14.793 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A2984 -2.527 14.695 -2.867 1.00 0.00 H new ATOM 0 HG23 VAL A2984 -3.242 15.399 -4.337 1.00 0.00 H new ATOM 495 N LEU A2985 -5.148 16.664 -2.840 1.00 0.00 N ATOM 496 CA LEU A2985 -6.509 16.688 -3.391 1.00 0.00 C ATOM 497 C LEU A2985 -7.267 17.978 -2.959 1.00 0.00 C ATOM 498 O LEU A2985 -7.830 18.698 -3.797 1.00 0.00 O ATOM 499 CB LEU A2985 -7.274 15.412 -2.953 1.00 0.00 C ATOM 500 CG LEU A2985 -8.630 15.137 -3.677 1.00 0.00 C ATOM 501 CD1 LEU A2985 -8.428 14.926 -5.202 1.00 0.00 C ATOM 502 CD2 LEU A2985 -9.385 13.947 -3.040 1.00 0.00 C ATOM 0 H LEU A2985 -4.976 15.893 -2.195 1.00 0.00 H new ATOM 0 HA LEU A2985 -6.447 16.701 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A2985 -6.622 14.552 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A2985 -7.465 15.478 -1.882 1.00 0.00 H new ATOM 0 HG LEU A2985 -9.250 16.024 -3.547 1.00 0.00 H new ATOM 0 HD11 LEU A2985 -9.392 14.737 -5.674 1.00 0.00 H new ATOM 0 HD12 LEU A2985 -7.980 15.820 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A2985 -7.770 14.073 -5.367 1.00 0.00 H new ATOM 0 HD21 LEU A2985 -10.324 13.786 -3.570 1.00 0.00 H new ATOM 0 HD22 LEU A2985 -8.771 13.049 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A2985 -9.593 14.167 -1.993 1.00 0.00 H new ATOM 514 N GLN A2986 -7.228 18.290 -1.652 1.00 0.00 N ATOM 515 CA GLN A2986 -7.940 19.467 -1.094 1.00 0.00 C ATOM 516 C GLN A2986 -7.164 20.788 -1.340 1.00 0.00 C ATOM 517 O GLN A2986 -7.766 21.856 -1.409 1.00 0.00 O ATOM 518 CB GLN A2986 -8.207 19.280 0.427 1.00 0.00 C ATOM 519 CG GLN A2986 -6.941 19.230 1.311 1.00 0.00 C ATOM 520 CD GLN A2986 -7.221 19.127 2.812 1.00 0.00 C ATOM 521 OE1 GLN A2986 -8.229 18.567 3.233 1.00 0.00 O ATOM 522 NE2 GLN A2986 -6.326 19.670 3.628 1.00 0.00 N ATOM 0 H GLN A2986 -6.713 17.748 -0.958 1.00 0.00 H new ATOM 0 HA GLN A2986 -8.893 19.540 -1.617 1.00 0.00 H new ATOM 0 HB2 GLN A2986 -8.841 20.097 0.772 1.00 0.00 H new ATOM 0 HB3 GLN A2986 -8.769 18.357 0.571 1.00 0.00 H new ATOM 0 HG2 GLN A2986 -6.334 18.377 1.008 1.00 0.00 H new ATOM 0 HG3 GLN A2986 -6.347 20.125 1.125 1.00 0.00 H new ATOM 0 HE21 GLN A2986 -5.499 20.128 3.245 1.00 0.00 H new ATOM 0 HE22 GLN A2986 -6.465 19.629 4.638 1.00 0.00 H new ATOM 531 N ASN A2987 -5.825 20.709 -1.438 1.00 0.00 N ATOM 532 CA ASN A2987 -4.961 21.897 -1.627 1.00 0.00 C ATOM 533 C ASN A2987 -4.996 22.379 -3.083 1.00 0.00 C ATOM 534 O ASN A2987 -5.202 23.568 -3.340 1.00 0.00 O ATOM 535 CB ASN A2987 -3.503 21.610 -1.167 1.00 0.00 C ATOM 536 CG ASN A2987 -3.376 21.451 0.357 1.00 0.00 C ATOM 537 OD1 ASN A2987 -4.106 22.080 1.121 1.00 0.00 O ATOM 538 ND2 ASN A2987 -2.457 20.611 0.809 1.00 0.00 N ATOM 0 H ASN A2987 -5.311 19.829 -1.389 1.00 0.00 H new ATOM 0 HA ASN A2987 -5.355 22.698 -1.001 1.00 0.00 H new ATOM 0 HB2 ASN A2987 -3.146 20.702 -1.653 1.00 0.00 H new ATOM 0 HB3 ASN A2987 -2.857 22.423 -1.497 1.00 0.00 H new ATOM 0 HD21 ASN A2987 -2.342 20.473 1.813 1.00 0.00 H new ATOM 0 HD22 ASN A2987 -1.865 20.102 0.153 1.00 0.00 H new ATOM 545 N GLN A2988 -4.790 21.440 -4.025 1.00 0.00 N ATOM 546 CA GLN A2988 -4.828 21.734 -5.471 1.00 0.00 C ATOM 547 C GLN A2988 -6.231 22.218 -5.895 1.00 0.00 C ATOM 548 O GLN A2988 -6.376 23.327 -6.413 1.00 0.00 O ATOM 549 CB GLN A2988 -4.426 20.473 -6.301 1.00 0.00 C ATOM 550 CG GLN A2988 -2.936 20.075 -6.247 1.00 0.00 C ATOM 551 CD GLN A2988 -2.039 21.047 -7.002 1.00 0.00 C ATOM 552 OE1 GLN A2988 -1.794 20.891 -8.204 1.00 0.00 O ATOM 553 NE2 GLN A2988 -1.551 22.060 -6.316 1.00 0.00 N ATOM 0 H GLN A2988 -4.594 20.463 -3.808 1.00 0.00 H new ATOM 0 HA GLN A2988 -4.110 22.529 -5.670 1.00 0.00 H new ATOM 0 HB2 GLN A2988 -5.020 19.628 -5.952 1.00 0.00 H new ATOM 0 HB3 GLN A2988 -4.698 20.646 -7.342 1.00 0.00 H new ATOM 0 HG2 GLN A2988 -2.615 20.025 -5.206 1.00 0.00 H new ATOM 0 HG3 GLN A2988 -2.816 19.076 -6.666 1.00 0.00 H new ATOM 0 HE21 GLN A2988 -1.773 22.159 -5.325 1.00 0.00 H new ATOM 0 HE22 GLN A2988 -0.951 22.745 -6.775 1.00 0.00 H new ATOM 562 N LEU A2989 -7.262 21.393 -5.621 1.00 0.00 N ATOM 563 CA LEU A2989 -8.618 21.601 -6.178 1.00 0.00 C ATOM 564 C LEU A2989 -9.542 22.326 -5.193 1.00 0.00 C ATOM 565 O LEU A2989 -10.363 23.149 -5.612 1.00 0.00 O ATOM 566 CB LEU A2989 -9.276 20.256 -6.601 1.00 0.00 C ATOM 567 CG LEU A2989 -8.477 19.360 -7.615 1.00 0.00 C ATOM 568 CD1 LEU A2989 -7.889 20.189 -8.789 1.00 0.00 C ATOM 569 CD2 LEU A2989 -7.392 18.514 -6.900 1.00 0.00 C ATOM 0 H LEU A2989 -7.183 20.575 -5.017 1.00 0.00 H new ATOM 0 HA LEU A2989 -8.488 22.229 -7.060 1.00 0.00 H new ATOM 0 HB2 LEU A2989 -9.457 19.669 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A2989 -10.249 20.478 -7.039 1.00 0.00 H new ATOM 0 HG LEU A2989 -9.190 18.662 -8.053 1.00 0.00 H new ATOM 0 HD11 LEU A2989 -7.345 19.528 -9.464 1.00 0.00 H new ATOM 0 HD12 LEU A2989 -8.699 20.676 -9.332 1.00 0.00 H new ATOM 0 HD13 LEU A2989 -7.209 20.945 -8.396 1.00 0.00 H new ATOM 0 HD21 LEU A2989 -6.861 17.908 -7.634 1.00 0.00 H new ATOM 0 HD22 LEU A2989 -6.687 19.176 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A2989 -7.864 17.862 -6.165 1.00 0.00 H new ATOM 581 N GLY A2990 -9.408 22.013 -3.894 1.00 0.00 N ATOM 582 CA GLY A2990 -10.381 22.461 -2.889 1.00 0.00 C ATOM 583 C GLY A2990 -11.665 21.640 -2.924 1.00 0.00 C ATOM 584 O GLY A2990 -12.729 22.109 -2.494 1.00 0.00 O ATOM 0 H GLY A2990 -8.641 21.456 -3.519 1.00 0.00 H new ATOM 0 HA2 GLY A2990 -9.934 22.391 -1.897 1.00 0.00 H new ATOM 0 HA3 GLY A2990 -10.619 23.511 -3.059 1.00 0.00 H new ATOM 588 N ILE A2991 -11.556 20.411 -3.456 1.00 0.00 N ATOM 589 CA ILE A2991 -12.670 19.453 -3.531 1.00 0.00 C ATOM 590 C ILE A2991 -12.811 18.766 -2.154 1.00 0.00 C ATOM 591 O ILE A2991 -11.825 18.263 -1.594 1.00 0.00 O ATOM 592 CB ILE A2991 -12.449 18.421 -4.729 1.00 0.00 C ATOM 593 CG1 ILE A2991 -13.671 17.428 -4.945 1.00 0.00 C ATOM 594 CG2 ILE A2991 -11.109 17.650 -4.592 1.00 0.00 C ATOM 595 CD1 ILE A2991 -13.712 16.168 -4.070 1.00 0.00 C ATOM 0 H ILE A2991 -10.686 20.053 -3.849 1.00 0.00 H new ATOM 0 HA ILE A2991 -13.606 19.965 -3.754 1.00 0.00 H new ATOM 0 HB ILE A2991 -12.393 19.031 -5.631 1.00 0.00 H new ATOM 0 HG12 ILE A2991 -14.593 17.985 -4.779 1.00 0.00 H new ATOM 0 HG13 ILE A2991 -13.672 17.115 -5.989 1.00 0.00 H new ATOM 0 HG21 ILE A2991 -11.000 16.959 -5.428 1.00 0.00 H new ATOM 0 HG22 ILE A2991 -10.280 18.358 -4.595 1.00 0.00 H new ATOM 0 HG23 ILE A2991 -11.105 17.091 -3.656 1.00 0.00 H new ATOM 0 HD11 ILE A2991 -14.595 15.580 -4.320 1.00 0.00 H new ATOM 0 HD12 ILE A2991 -12.817 15.572 -4.248 1.00 0.00 H new ATOM 0 HD13 ILE A2991 -13.753 16.456 -3.019 1.00 0.00 H new ATOM 607 N ARG A2992 -14.039 18.792 -1.598 1.00 0.00 N ATOM 608 CA ARG A2992 -14.336 18.237 -0.273 1.00 0.00 C ATOM 609 C ARG A2992 -14.876 16.789 -0.415 1.00 0.00 C ATOM 610 O ARG A2992 -15.849 16.557 -1.149 1.00 0.00 O ATOM 611 CB ARG A2992 -15.337 19.163 0.495 1.00 0.00 C ATOM 612 CG ARG A2992 -16.734 19.315 -0.152 1.00 0.00 C ATOM 613 CD ARG A2992 -17.601 20.406 0.498 1.00 0.00 C ATOM 614 NE ARG A2992 -18.855 20.610 -0.251 1.00 0.00 N ATOM 615 CZ ARG A2992 -19.541 21.767 -0.344 1.00 0.00 C ATOM 616 NH1 ARG A2992 -19.141 22.858 0.294 1.00 0.00 N ATOM 617 NH2 ARG A2992 -20.630 21.823 -1.089 1.00 0.00 N ATOM 0 H ARG A2992 -14.851 19.201 -2.061 1.00 0.00 H new ATOM 0 HA ARG A2992 -13.419 18.194 0.315 1.00 0.00 H new ATOM 0 HB2 ARG A2992 -15.464 18.773 1.505 1.00 0.00 H new ATOM 0 HB3 ARG A2992 -14.890 20.153 0.590 1.00 0.00 H new ATOM 0 HG2 ARG A2992 -16.611 19.544 -1.211 1.00 0.00 H new ATOM 0 HG3 ARG A2992 -17.259 18.362 -0.090 1.00 0.00 H new ATOM 0 HD2 ARG A2992 -17.830 20.127 1.526 1.00 0.00 H new ATOM 0 HD3 ARG A2992 -17.043 21.341 0.539 1.00 0.00 H new ATOM 0 HE ARG A2992 -19.238 19.803 -0.743 1.00 0.00 H new ATOM 0 HH11 ARG A2992 -18.299 22.833 0.869 1.00 0.00 H new ATOM 0 HH12 ARG A2992 -19.675 23.723 0.210 1.00 0.00 H new ATOM 0 HH21 ARG A2992 -20.948 20.994 -1.590 1.00 0.00 H new ATOM 0 HH22 ARG A2992 -21.153 22.696 -1.163 1.00 0.00 H new