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 51:sc= 0.241 USER MOD Single : A2971 SER OG : rot 180:sc= 0 USER MOD Single : A2986 GLN : amide:sc= -0.201 K(o=-0.2,f=-0.89) USER MOD Single : A2987 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.0018) USER MOD Single : A2988 GLN : amide:sc= -0.835 K(o=-0.83,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ASP A2957 -5.447 3.837 -13.616 1.00 0.00 N ATOM 82 CA ASP A2957 -5.602 4.556 -14.897 1.00 0.00 C ATOM 83 C ASP A2957 -6.804 5.535 -14.819 1.00 0.00 C ATOM 84 O ASP A2957 -7.840 5.165 -14.264 1.00 0.00 O ATOM 85 CB ASP A2957 -5.803 3.495 -16.022 1.00 0.00 C ATOM 86 CG ASP A2957 -5.945 4.085 -17.442 1.00 0.00 C ATOM 87 OD1 ASP A2957 -7.059 4.470 -17.831 1.00 0.00 O ATOM 88 OD2 ASP A2957 -4.943 4.159 -18.175 1.00 0.00 O ATOM 0 HA ASP A2957 -4.715 5.152 -15.115 1.00 0.00 H new ATOM 0 HB2 ASP A2957 -4.957 2.808 -16.011 1.00 0.00 H new ATOM 0 HB3 ASP A2957 -6.693 2.908 -15.796 1.00 0.00 H new ATOM 93 N PRO A2958 -6.701 6.796 -15.366 1.00 0.00 N ATOM 94 CA PRO A2958 -7.801 7.801 -15.285 1.00 0.00 C ATOM 95 C PRO A2958 -9.105 7.321 -15.967 1.00 0.00 C ATOM 96 O PRO A2958 -10.207 7.598 -15.478 1.00 0.00 O ATOM 97 CB PRO A2958 -7.213 9.058 -15.982 1.00 0.00 C ATOM 98 CG PRO A2958 -6.096 8.532 -16.841 1.00 0.00 C ATOM 99 CD PRO A2958 -5.521 7.347 -16.090 1.00 0.00 C ATOM 0 HA PRO A2958 -8.100 7.991 -14.254 1.00 0.00 H new ATOM 0 HB2 PRO A2958 -7.967 9.567 -16.582 1.00 0.00 H new ATOM 0 HB3 PRO A2958 -6.845 9.780 -15.252 1.00 0.00 H new ATOM 0 HG2 PRO A2958 -6.465 8.232 -17.822 1.00 0.00 H new ATOM 0 HG3 PRO A2958 -5.337 9.296 -17.006 1.00 0.00 H new ATOM 0 HD2 PRO A2958 -5.086 6.613 -16.769 1.00 0.00 H new ATOM 0 HD3 PRO A2958 -4.732 7.651 -15.402 1.00 0.00 H new ATOM 107 N LEU A2959 -8.964 6.566 -17.070 1.00 0.00 N ATOM 108 CA LEU A2959 -10.104 6.041 -17.857 1.00 0.00 C ATOM 109 C LEU A2959 -10.536 4.632 -17.357 1.00 0.00 C ATOM 110 O LEU A2959 -11.409 3.992 -17.947 1.00 0.00 O ATOM 111 CB LEU A2959 -9.703 6.010 -19.364 1.00 0.00 C ATOM 112 CG LEU A2959 -10.840 5.708 -20.403 1.00 0.00 C ATOM 113 CD1 LEU A2959 -11.888 6.837 -20.445 1.00 0.00 C ATOM 114 CD2 LEU A2959 -10.266 5.436 -21.807 1.00 0.00 C ATOM 0 H LEU A2959 -8.054 6.299 -17.446 1.00 0.00 H new ATOM 0 HA LEU A2959 -10.965 6.697 -17.726 1.00 0.00 H new ATOM 0 HB2 LEU A2959 -9.263 6.975 -19.616 1.00 0.00 H new ATOM 0 HB3 LEU A2959 -8.922 5.260 -19.490 1.00 0.00 H new ATOM 0 HG LEU A2959 -11.345 4.802 -20.068 1.00 0.00 H new ATOM 0 HD11 LEU A2959 -12.658 6.591 -21.176 1.00 0.00 H new ATOM 0 HD12 LEU A2959 -12.343 6.948 -19.461 1.00 0.00 H new ATOM 0 HD13 LEU A2959 -11.404 7.772 -20.728 1.00 0.00 H new ATOM 0 HD21 LEU A2959 -11.082 5.231 -22.500 1.00 0.00 H new ATOM 0 HD22 LEU A2959 -9.711 6.310 -22.149 1.00 0.00 H new ATOM 0 HD23 LEU A2959 -9.599 4.575 -21.767 1.00 0.00 H new ATOM 126 N ALA A2960 -9.948 4.170 -16.229 1.00 0.00 N ATOM 127 CA ALA A2960 -10.281 2.854 -15.624 1.00 0.00 C ATOM 128 C ALA A2960 -11.693 2.826 -15.008 1.00 0.00 C ATOM 129 O ALA A2960 -12.184 1.755 -14.632 1.00 0.00 O ATOM 130 CB ALA A2960 -9.244 2.464 -14.563 1.00 0.00 C ATOM 0 H ALA A2960 -9.237 4.690 -15.715 1.00 0.00 H new ATOM 0 HA ALA A2960 -10.262 2.127 -16.436 1.00 0.00 H new ATOM 0 HB1 ALA A2960 -9.508 1.497 -14.134 1.00 0.00 H new ATOM 0 HB2 ALA A2960 -8.258 2.399 -15.024 1.00 0.00 H new ATOM 0 HB3 ALA A2960 -9.227 3.218 -13.776 1.00 0.00 H new ATOM 136 N GLY A2961 -12.335 3.997 -14.907 1.00 0.00 N ATOM 137 CA GLY A2961 -13.651 4.121 -14.277 1.00 0.00 C ATOM 138 C GLY A2961 -13.578 4.816 -12.928 1.00 0.00 C ATOM 139 O GLY A2961 -14.587 4.903 -12.222 1.00 0.00 O ATOM 0 H GLY A2961 -11.958 4.878 -15.258 1.00 0.00 H new ATOM 0 HA2 GLY A2961 -14.316 4.679 -14.936 1.00 0.00 H new ATOM 0 HA3 GLY A2961 -14.086 3.130 -14.150 1.00 0.00 H new ATOM 143 N ILE A2962 -12.371 5.292 -12.563 1.00 0.00 N ATOM 144 CA ILE A2962 -12.162 6.108 -11.349 1.00 0.00 C ATOM 145 C ILE A2962 -12.591 7.566 -11.600 1.00 0.00 C ATOM 146 O ILE A2962 -12.795 7.978 -12.749 1.00 0.00 O ATOM 147 CB ILE A2962 -10.667 6.072 -10.854 1.00 0.00 C ATOM 148 CG1 ILE A2962 -9.678 6.618 -11.937 1.00 0.00 C ATOM 149 CG2 ILE A2962 -10.274 4.651 -10.403 1.00 0.00 C ATOM 150 CD1 ILE A2962 -8.246 6.810 -11.446 1.00 0.00 C ATOM 0 H ILE A2962 -11.518 5.123 -13.097 1.00 0.00 H new ATOM 0 HA ILE A2962 -12.781 5.673 -10.564 1.00 0.00 H new ATOM 0 HB ILE A2962 -10.592 6.736 -9.993 1.00 0.00 H new ATOM 0 HG12 ILE A2962 -9.670 5.931 -12.783 1.00 0.00 H new ATOM 0 HG13 ILE A2962 -10.053 7.573 -12.306 1.00 0.00 H new ATOM 0 HG21 ILE A2962 -9.238 4.650 -10.065 1.00 0.00 H new ATOM 0 HG22 ILE A2962 -10.922 4.336 -9.585 1.00 0.00 H new ATOM 0 HG23 ILE A2962 -10.384 3.960 -11.239 1.00 0.00 H new ATOM 0 HD11 ILE A2962 -7.630 7.191 -12.261 1.00 0.00 H new ATOM 0 HD12 ILE A2962 -8.237 7.522 -10.621 1.00 0.00 H new ATOM 0 HD13 ILE A2962 -7.847 5.855 -11.105 1.00 0.00 H new ATOM 162 N SER A2963 -12.685 8.349 -10.521 1.00 0.00 N ATOM 163 CA SER A2963 -13.171 9.732 -10.577 1.00 0.00 C ATOM 164 C SER A2963 -12.166 10.684 -9.902 1.00 0.00 C ATOM 165 O SER A2963 -12.227 10.924 -8.685 1.00 0.00 O ATOM 166 CB SER A2963 -14.571 9.809 -9.921 1.00 0.00 C ATOM 167 OG SER A2963 -14.559 9.249 -8.613 1.00 0.00 O ATOM 0 H SER A2963 -12.426 8.042 -9.583 1.00 0.00 H new ATOM 0 HA SER A2963 -13.263 10.049 -11.616 1.00 0.00 H new ATOM 0 HB2 SER A2963 -14.895 10.848 -9.871 1.00 0.00 H new ATOM 0 HB3 SER A2963 -15.295 9.279 -10.540 1.00 0.00 H new ATOM 0 HG SER A2963 -13.826 9.643 -8.095 1.00 0.00 H new ATOM 173 N LEU A2964 -11.196 11.169 -10.693 1.00 0.00 N ATOM 174 CA LEU A2964 -10.265 12.231 -10.271 1.00 0.00 C ATOM 175 C LEU A2964 -10.621 13.547 -11.007 1.00 0.00 C ATOM 176 O LEU A2964 -11.133 13.502 -12.132 1.00 0.00 O ATOM 177 CB LEU A2964 -8.775 11.791 -10.502 1.00 0.00 C ATOM 178 CG LEU A2964 -8.331 11.343 -11.952 1.00 0.00 C ATOM 179 CD1 LEU A2964 -8.042 12.552 -12.873 1.00 0.00 C ATOM 180 CD2 LEU A2964 -7.108 10.403 -11.897 1.00 0.00 C ATOM 0 H LEU A2964 -11.034 10.837 -11.644 1.00 0.00 H new ATOM 0 HA LEU A2964 -10.368 12.409 -9.201 1.00 0.00 H new ATOM 0 HB2 LEU A2964 -8.135 12.621 -10.202 1.00 0.00 H new ATOM 0 HB3 LEU A2964 -8.565 10.965 -9.822 1.00 0.00 H new ATOM 0 HG LEU A2964 -9.170 10.795 -12.381 1.00 0.00 H new ATOM 0 HD11 LEU A2964 -7.741 12.195 -13.858 1.00 0.00 H new ATOM 0 HD12 LEU A2964 -8.941 13.161 -12.967 1.00 0.00 H new ATOM 0 HD13 LEU A2964 -7.240 13.153 -12.444 1.00 0.00 H new ATOM 0 HD21 LEU A2964 -6.827 10.112 -12.909 1.00 0.00 H new ATOM 0 HD22 LEU A2964 -6.273 10.919 -11.422 1.00 0.00 H new ATOM 0 HD23 LEU A2964 -7.359 9.513 -11.320 1.00 0.00 H new ATOM 192 N PRO A2965 -10.372 14.743 -10.383 1.00 0.00 N ATOM 193 CA PRO A2965 -10.552 16.048 -11.059 1.00 0.00 C ATOM 194 C PRO A2965 -9.384 16.364 -12.026 1.00 0.00 C ATOM 195 O PRO A2965 -8.266 15.841 -11.871 1.00 0.00 O ATOM 196 CB PRO A2965 -10.618 17.048 -9.882 1.00 0.00 C ATOM 197 CG PRO A2965 -9.764 16.419 -8.818 1.00 0.00 C ATOM 198 CD PRO A2965 -9.914 14.914 -8.976 1.00 0.00 C ATOM 0 HA PRO A2965 -11.439 16.080 -11.691 1.00 0.00 H new ATOM 0 HB2 PRO A2965 -10.238 18.028 -10.170 1.00 0.00 H new ATOM 0 HB3 PRO A2965 -11.642 17.192 -9.538 1.00 0.00 H new ATOM 0 HG2 PRO A2965 -8.722 16.719 -8.930 1.00 0.00 H new ATOM 0 HG3 PRO A2965 -10.083 16.738 -7.826 1.00 0.00 H new ATOM 0 HD2 PRO A2965 -8.971 14.398 -8.798 1.00 0.00 H new ATOM 0 HD3 PRO A2965 -10.637 14.509 -8.269 1.00 0.00 H new ATOM 206 N GLU A2966 -9.668 17.226 -13.018 1.00 0.00 N ATOM 207 CA GLU A2966 -8.712 17.602 -14.070 1.00 0.00 C ATOM 208 C GLU A2966 -7.523 18.382 -13.466 1.00 0.00 C ATOM 209 O GLU A2966 -7.712 19.434 -12.834 1.00 0.00 O ATOM 210 CB GLU A2966 -9.432 18.436 -15.157 1.00 0.00 C ATOM 211 CG GLU A2966 -8.558 18.822 -16.369 1.00 0.00 C ATOM 212 CD GLU A2966 -9.294 19.740 -17.366 1.00 0.00 C ATOM 213 OE1 GLU A2966 -9.403 20.960 -17.100 1.00 0.00 O ATOM 214 OE2 GLU A2966 -9.775 19.249 -18.407 1.00 0.00 O ATOM 0 H GLU A2966 -10.575 17.684 -13.111 1.00 0.00 H new ATOM 0 HA GLU A2966 -8.316 16.699 -14.533 1.00 0.00 H new ATOM 0 HB2 GLU A2966 -10.294 17.872 -15.514 1.00 0.00 H new ATOM 0 HB3 GLU A2966 -9.815 19.348 -14.699 1.00 0.00 H new ATOM 0 HG2 GLU A2966 -7.657 19.324 -16.017 1.00 0.00 H new ATOM 0 HG3 GLU A2966 -8.238 17.916 -16.884 1.00 0.00 H new ATOM 221 N GLY A2967 -6.308 17.850 -13.675 1.00 0.00 N ATOM 222 CA GLY A2967 -5.076 18.429 -13.127 1.00 0.00 C ATOM 223 C GLY A2967 -4.377 17.501 -12.148 1.00 0.00 C ATOM 224 O GLY A2967 -3.177 17.655 -11.893 1.00 0.00 O ATOM 0 H GLY A2967 -6.155 17.007 -14.228 1.00 0.00 H new ATOM 0 HA2 GLY A2967 -4.396 18.666 -13.945 1.00 0.00 H new ATOM 0 HA3 GLY A2967 -5.312 19.368 -12.626 1.00 0.00 H new ATOM 228 N VAL A2968 -5.134 16.554 -11.575 1.00 0.00 N ATOM 229 CA VAL A2968 -4.602 15.543 -10.646 1.00 0.00 C ATOM 230 C VAL A2968 -4.123 14.324 -11.436 1.00 0.00 C ATOM 231 O VAL A2968 -4.937 13.534 -11.942 1.00 0.00 O ATOM 232 CB VAL A2968 -5.677 15.118 -9.576 1.00 0.00 C ATOM 233 CG1 VAL A2968 -5.175 13.977 -8.654 1.00 0.00 C ATOM 234 CG2 VAL A2968 -6.102 16.340 -8.744 1.00 0.00 C ATOM 0 H VAL A2968 -6.136 16.466 -11.743 1.00 0.00 H new ATOM 0 HA VAL A2968 -3.761 15.980 -10.107 1.00 0.00 H new ATOM 0 HB VAL A2968 -6.541 14.730 -10.116 1.00 0.00 H new ATOM 0 HG11 VAL A2968 -5.953 13.721 -7.935 1.00 0.00 H new ATOM 0 HG12 VAL A2968 -4.936 13.101 -9.257 1.00 0.00 H new ATOM 0 HG13 VAL A2968 -4.282 14.306 -8.122 1.00 0.00 H new ATOM 0 HG21 VAL A2968 -6.845 16.037 -8.007 1.00 0.00 H new ATOM 0 HG22 VAL A2968 -5.232 16.753 -8.234 1.00 0.00 H new ATOM 0 HG23 VAL A2968 -6.530 17.097 -9.401 1.00 0.00 H new ATOM 244 N ASP A2969 -2.798 14.216 -11.570 1.00 0.00 N ATOM 245 CA ASP A2969 -2.150 13.055 -12.194 1.00 0.00 C ATOM 246 C ASP A2969 -2.338 11.825 -11.283 1.00 0.00 C ATOM 247 O ASP A2969 -1.978 11.894 -10.096 1.00 0.00 O ATOM 248 CB ASP A2969 -0.630 13.309 -12.420 1.00 0.00 C ATOM 249 CG ASP A2969 -0.345 14.615 -13.176 1.00 0.00 C ATOM 250 OD1 ASP A2969 -0.269 15.679 -12.522 1.00 0.00 O ATOM 251 OD2 ASP A2969 -0.217 14.589 -14.418 1.00 0.00 O ATOM 0 H ASP A2969 -2.143 14.930 -11.250 1.00 0.00 H new ATOM 0 HA ASP A2969 -2.611 12.881 -13.166 1.00 0.00 H new ATOM 0 HB2 ASP A2969 -0.125 13.337 -11.455 1.00 0.00 H new ATOM 0 HB3 ASP A2969 -0.207 12.473 -12.977 1.00 0.00 H new ATOM 256 N PRO A2970 -2.881 10.676 -11.813 1.00 0.00 N ATOM 257 CA PRO A2970 -2.985 9.401 -11.046 1.00 0.00 C ATOM 258 C PRO A2970 -1.600 8.798 -10.712 1.00 0.00 C ATOM 259 O PRO A2970 -1.515 7.820 -9.960 1.00 0.00 O ATOM 260 CB PRO A2970 -3.807 8.481 -11.979 1.00 0.00 C ATOM 261 CG PRO A2970 -3.552 9.025 -13.352 1.00 0.00 C ATOM 262 CD PRO A2970 -3.446 10.528 -13.182 1.00 0.00 C ATOM 0 HA PRO A2970 -3.453 9.541 -10.072 1.00 0.00 H new ATOM 0 HB2 PRO A2970 -3.487 7.442 -11.897 1.00 0.00 H new ATOM 0 HB3 PRO A2970 -4.868 8.508 -11.731 1.00 0.00 H new ATOM 0 HG2 PRO A2970 -2.635 8.613 -13.773 1.00 0.00 H new ATOM 0 HG3 PRO A2970 -4.361 8.764 -14.034 1.00 0.00 H new ATOM 0 HD2 PRO A2970 -2.797 10.974 -13.936 1.00 0.00 H new ATOM 0 HD3 PRO A2970 -4.418 11.013 -13.271 1.00 0.00 H new ATOM 270 N SER A2971 -0.534 9.397 -11.290 1.00 0.00 N ATOM 271 CA SER A2971 0.866 9.083 -10.979 1.00 0.00 C ATOM 272 C SER A2971 1.140 9.247 -9.472 1.00 0.00 C ATOM 273 O SER A2971 1.480 8.283 -8.794 1.00 0.00 O ATOM 274 CB SER A2971 1.788 10.014 -11.797 1.00 0.00 C ATOM 275 OG SER A2971 1.497 9.942 -13.182 1.00 0.00 O ATOM 0 H SER A2971 -0.632 10.125 -11.998 1.00 0.00 H new ATOM 0 HA SER A2971 1.067 8.045 -11.245 1.00 0.00 H new ATOM 0 HB2 SER A2971 1.670 11.041 -11.452 1.00 0.00 H new ATOM 0 HB3 SER A2971 2.829 9.739 -11.627 1.00 0.00 H new ATOM 0 HG SER A2971 2.095 10.543 -13.674 1.00 0.00 H new ATOM 281 N PHE A2972 0.915 10.467 -8.945 1.00 0.00 N ATOM 282 CA PHE A2972 1.169 10.755 -7.522 1.00 0.00 C ATOM 283 C PHE A2972 0.010 10.250 -6.661 1.00 0.00 C ATOM 284 O PHE A2972 0.207 9.822 -5.524 1.00 0.00 O ATOM 285 CB PHE A2972 1.450 12.273 -7.273 1.00 0.00 C ATOM 286 CG PHE A2972 0.348 13.274 -7.663 1.00 0.00 C ATOM 287 CD1 PHE A2972 -0.780 13.481 -6.850 1.00 0.00 C ATOM 288 CD2 PHE A2972 0.462 14.057 -8.815 1.00 0.00 C ATOM 289 CE1 PHE A2972 -1.745 14.400 -7.186 1.00 0.00 C ATOM 290 CE2 PHE A2972 -0.512 14.976 -9.150 1.00 0.00 C ATOM 291 CZ PHE A2972 -1.610 15.150 -8.334 1.00 0.00 C ATOM 0 H PHE A2972 0.561 11.261 -9.479 1.00 0.00 H new ATOM 0 HA PHE A2972 2.072 10.219 -7.229 1.00 0.00 H new ATOM 0 HB2 PHE A2972 1.665 12.406 -6.213 1.00 0.00 H new ATOM 0 HB3 PHE A2972 2.356 12.541 -7.817 1.00 0.00 H new ATOM 0 HD1 PHE A2972 -0.891 12.906 -5.943 1.00 0.00 H new ATOM 0 HD2 PHE A2972 1.326 13.941 -9.453 1.00 0.00 H new ATOM 0 HE1 PHE A2972 -2.608 14.534 -6.551 1.00 0.00 H new ATOM 0 HE2 PHE A2972 -0.414 15.560 -10.053 1.00 0.00 H new ATOM 0 HZ PHE A2972 -2.366 15.876 -8.595 1.00 0.00 H new ATOM 301 N LEU A2973 -1.195 10.295 -7.237 1.00 0.00 N ATOM 302 CA LEU A2973 -2.436 10.001 -6.533 1.00 0.00 C ATOM 303 C LEU A2973 -2.482 8.532 -6.058 1.00 0.00 C ATOM 304 O LEU A2973 -2.851 8.254 -4.917 1.00 0.00 O ATOM 305 CB LEU A2973 -3.628 10.317 -7.467 1.00 0.00 C ATOM 306 CG LEU A2973 -5.049 10.319 -6.827 1.00 0.00 C ATOM 307 CD1 LEU A2973 -5.195 11.455 -5.791 1.00 0.00 C ATOM 308 CD2 LEU A2973 -6.138 10.425 -7.909 1.00 0.00 C ATOM 0 H LEU A2973 -1.332 10.540 -8.218 1.00 0.00 H new ATOM 0 HA LEU A2973 -2.495 10.625 -5.641 1.00 0.00 H new ATOM 0 HB2 LEU A2973 -3.457 11.296 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU A2973 -3.624 9.590 -8.279 1.00 0.00 H new ATOM 0 HG LEU A2973 -5.178 9.371 -6.304 1.00 0.00 H new ATOM 0 HD11 LEU A2973 -6.197 11.430 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU A2973 -4.458 11.322 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A2973 -5.033 12.416 -6.279 1.00 0.00 H new ATOM 0 HD21 LEU A2973 -7.121 10.424 -7.437 1.00 0.00 H new ATOM 0 HD22 LEU A2973 -6.005 11.350 -8.470 1.00 0.00 H new ATOM 0 HD23 LEU A2973 -6.061 9.575 -8.587 1.00 0.00 H new ATOM 320 N ALA A2974 -2.097 7.611 -6.948 1.00 0.00 N ATOM 321 CA ALA A2974 -2.119 6.165 -6.666 1.00 0.00 C ATOM 322 C ALA A2974 -0.754 5.662 -6.157 1.00 0.00 C ATOM 323 O ALA A2974 -0.699 4.985 -5.127 1.00 0.00 O ATOM 324 CB ALA A2974 -2.565 5.395 -7.916 1.00 0.00 C ATOM 0 H ALA A2974 -1.762 7.843 -7.883 1.00 0.00 H new ATOM 0 HA ALA A2974 -2.839 5.984 -5.868 1.00 0.00 H new ATOM 0 HB1 ALA A2974 -2.579 4.327 -7.700 1.00 0.00 H new ATOM 0 HB2 ALA A2974 -3.564 5.719 -8.206 1.00 0.00 H new ATOM 0 HB3 ALA A2974 -1.869 5.591 -8.732 1.00 0.00 H new ATOM 330 N ALA A2975 0.347 6.002 -6.867 1.00 0.00 N ATOM 331 CA ALA A2975 1.687 5.418 -6.578 1.00 0.00 C ATOM 332 C ALA A2975 2.291 5.914 -5.249 1.00 0.00 C ATOM 333 O ALA A2975 3.129 5.225 -4.657 1.00 0.00 O ATOM 334 CB ALA A2975 2.661 5.659 -7.741 1.00 0.00 C ATOM 0 H ALA A2975 0.340 6.670 -7.637 1.00 0.00 H new ATOM 0 HA ALA A2975 1.531 4.345 -6.468 1.00 0.00 H new ATOM 0 HB1 ALA A2975 3.630 5.222 -7.501 1.00 0.00 H new ATOM 0 HB2 ALA A2975 2.268 5.196 -8.646 1.00 0.00 H new ATOM 0 HB3 ALA A2975 2.777 6.731 -7.902 1.00 0.00 H new ATOM 340 N LEU A2976 1.890 7.112 -4.800 1.00 0.00 N ATOM 341 CA LEU A2976 2.294 7.659 -3.481 1.00 0.00 C ATOM 342 C LEU A2976 1.191 7.348 -2.431 1.00 0.00 C ATOM 343 O LEU A2976 0.054 7.061 -2.826 1.00 0.00 O ATOM 344 CB LEU A2976 2.561 9.178 -3.616 1.00 0.00 C ATOM 345 CG LEU A2976 3.658 9.618 -4.632 1.00 0.00 C ATOM 346 CD1 LEU A2976 3.803 11.153 -4.631 1.00 0.00 C ATOM 347 CD2 LEU A2976 5.006 8.923 -4.338 1.00 0.00 C ATOM 0 H LEU A2976 1.280 7.732 -5.332 1.00 0.00 H new ATOM 0 HA LEU A2976 3.216 7.189 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A2976 1.626 9.662 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A2976 2.836 9.562 -2.634 1.00 0.00 H new ATOM 0 HG LEU A2976 3.347 9.306 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A2976 4.573 11.446 -5.345 1.00 0.00 H new ATOM 0 HD12 LEU A2976 2.854 11.608 -4.913 1.00 0.00 H new ATOM 0 HD13 LEU A2976 4.085 11.491 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A2976 5.750 9.251 -5.064 1.00 0.00 H new ATOM 0 HD22 LEU A2976 5.339 9.185 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A2976 4.881 7.842 -4.409 1.00 0.00 H new ATOM 359 N PRO A2977 1.492 7.392 -1.078 1.00 0.00 N ATOM 360 CA PRO A2977 0.508 6.996 -0.025 1.00 0.00 C ATOM 361 C PRO A2977 -0.708 7.948 0.049 1.00 0.00 C ATOM 362 O PRO A2977 -0.751 8.978 -0.634 1.00 0.00 O ATOM 363 CB PRO A2977 1.334 7.041 1.288 1.00 0.00 C ATOM 364 CG PRO A2977 2.417 8.036 1.004 1.00 0.00 C ATOM 365 CD PRO A2977 2.779 7.832 -0.457 1.00 0.00 C ATOM 0 HA PRO A2977 0.073 6.017 -0.229 1.00 0.00 H new ATOM 0 HB2 PRO A2977 0.721 7.350 2.134 1.00 0.00 H new ATOM 0 HB3 PRO A2977 1.746 6.062 1.533 1.00 0.00 H new ATOM 0 HG2 PRO A2977 2.072 9.054 1.185 1.00 0.00 H new ATOM 0 HG3 PRO A2977 3.280 7.872 1.649 1.00 0.00 H new ATOM 0 HD2 PRO A2977 3.150 8.751 -0.911 1.00 0.00 H new ATOM 0 HD3 PRO A2977 3.559 7.080 -0.576 1.00 0.00 H new ATOM 373 N ASP A2978 -1.668 7.616 0.927 1.00 0.00 N ATOM 374 CA ASP A2978 -2.943 8.360 1.030 1.00 0.00 C ATOM 375 C ASP A2978 -2.750 9.765 1.629 1.00 0.00 C ATOM 376 O ASP A2978 -3.546 10.652 1.370 1.00 0.00 O ATOM 377 CB ASP A2978 -4.006 7.569 1.840 1.00 0.00 C ATOM 378 CG ASP A2978 -5.412 8.219 1.832 1.00 0.00 C ATOM 379 OD1 ASP A2978 -6.123 8.113 0.804 1.00 0.00 O ATOM 380 OD2 ASP A2978 -5.823 8.811 2.854 1.00 0.00 O ATOM 0 H ASP A2978 -1.589 6.836 1.579 1.00 0.00 H new ATOM 0 HA ASP A2978 -3.310 8.481 0.011 1.00 0.00 H new ATOM 0 HB2 ASP A2978 -4.081 6.560 1.435 1.00 0.00 H new ATOM 0 HB3 ASP A2978 -3.666 7.474 2.871 1.00 0.00 H new ATOM 385 N ASP A2979 -1.647 9.961 2.354 1.00 0.00 N ATOM 386 CA ASP A2979 -1.431 11.150 3.198 1.00 0.00 C ATOM 387 C ASP A2979 -1.302 12.432 2.355 1.00 0.00 C ATOM 388 O ASP A2979 -2.068 13.400 2.526 1.00 0.00 O ATOM 389 CB ASP A2979 -0.157 10.936 4.054 1.00 0.00 C ATOM 390 CG ASP A2979 -0.176 9.610 4.836 1.00 0.00 C ATOM 391 OD1 ASP A2979 -0.681 9.582 5.973 1.00 0.00 O ATOM 392 OD2 ASP A2979 0.305 8.586 4.302 1.00 0.00 O ATOM 0 H ASP A2979 -0.871 9.299 2.376 1.00 0.00 H new ATOM 0 HA ASP A2979 -2.298 11.278 3.846 1.00 0.00 H new ATOM 0 HB2 ASP A2979 0.718 10.957 3.405 1.00 0.00 H new ATOM 0 HB3 ASP A2979 -0.053 11.764 4.755 1.00 0.00 H new ATOM 397 N ILE A2980 -0.358 12.419 1.400 1.00 0.00 N ATOM 398 CA ILE A2980 -0.096 13.590 0.553 1.00 0.00 C ATOM 399 C ILE A2980 -1.165 13.709 -0.549 1.00 0.00 C ATOM 400 O ILE A2980 -1.524 14.809 -0.928 1.00 0.00 O ATOM 401 CB ILE A2980 1.365 13.626 -0.060 1.00 0.00 C ATOM 402 CG1 ILE A2980 1.534 12.702 -1.304 1.00 0.00 C ATOM 403 CG2 ILE A2980 2.424 13.277 1.012 1.00 0.00 C ATOM 404 CD1 ILE A2980 1.381 11.223 -1.030 1.00 0.00 C ATOM 0 H ILE A2980 0.233 11.613 1.197 1.00 0.00 H new ATOM 0 HA ILE A2980 -0.157 14.459 1.208 1.00 0.00 H new ATOM 0 HB ILE A2980 1.522 14.649 -0.403 1.00 0.00 H new ATOM 0 HG12 ILE A2980 0.801 12.994 -2.056 1.00 0.00 H new ATOM 0 HG13 ILE A2980 2.520 12.876 -1.735 1.00 0.00 H new ATOM 0 HG21 ILE A2980 3.418 13.309 0.566 1.00 0.00 H new ATOM 0 HG22 ILE A2980 2.369 13.999 1.827 1.00 0.00 H new ATOM 0 HG23 ILE A2980 2.233 12.277 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A2980 1.516 10.665 -1.957 1.00 0.00 H new ATOM 0 HD12 ILE A2980 2.131 10.908 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A2980 0.386 11.028 -0.631 1.00 0.00 H new ATOM 416 N ARG A2981 -1.696 12.561 -1.020 1.00 0.00 N ATOM 417 CA ARG A2981 -2.653 12.526 -2.142 1.00 0.00 C ATOM 418 C ARG A2981 -3.990 13.182 -1.736 1.00 0.00 C ATOM 419 O ARG A2981 -4.624 13.861 -2.553 1.00 0.00 O ATOM 420 CB ARG A2981 -2.854 11.064 -2.665 1.00 0.00 C ATOM 421 CG ARG A2981 -3.742 10.140 -1.781 1.00 0.00 C ATOM 422 CD ARG A2981 -5.156 9.861 -2.333 1.00 0.00 C ATOM 423 NE ARG A2981 -5.135 8.822 -3.381 1.00 0.00 N ATOM 424 CZ ARG A2981 -5.465 7.525 -3.196 1.00 0.00 C ATOM 425 NH1 ARG A2981 -5.896 7.090 -2.021 1.00 0.00 N ATOM 426 NH2 ARG A2981 -5.360 6.667 -4.195 1.00 0.00 N ATOM 0 H ARG A2981 -1.475 11.642 -0.637 1.00 0.00 H new ATOM 0 HA ARG A2981 -2.239 13.106 -2.967 1.00 0.00 H new ATOM 0 HB2 ARG A2981 -3.294 11.113 -3.661 1.00 0.00 H new ATOM 0 HB3 ARG A2981 -1.874 10.599 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A2981 -3.227 9.188 -1.648 1.00 0.00 H new ATOM 0 HG3 ARG A2981 -3.838 10.592 -0.794 1.00 0.00 H new ATOM 0 HD2 ARG A2981 -5.809 9.545 -1.519 1.00 0.00 H new ATOM 0 HD3 ARG A2981 -5.576 10.781 -2.740 1.00 0.00 H new ATOM 0 HE ARG A2981 -4.849 9.105 -4.318 1.00 0.00 H new ATOM 0 HH11 ARG A2981 -5.983 7.738 -1.238 1.00 0.00 H new ATOM 0 HH12 ARG A2981 -6.141 6.107 -1.899 1.00 0.00 H new ATOM 0 HH21 ARG A2981 -5.030 6.984 -5.107 1.00 0.00 H new ATOM 0 HH22 ARG A2981 -5.609 5.688 -4.055 1.00 0.00 H new ATOM 440 N ARG A2982 -4.394 12.991 -0.452 1.00 0.00 N ATOM 441 CA ARG A2982 -5.629 13.582 0.087 1.00 0.00 C ATOM 442 C ARG A2982 -5.433 15.090 0.311 1.00 0.00 C ATOM 443 O ARG A2982 -6.277 15.885 -0.106 1.00 0.00 O ATOM 444 CB ARG A2982 -6.103 12.883 1.404 1.00 0.00 C ATOM 445 CG ARG A2982 -5.122 12.994 2.597 1.00 0.00 C ATOM 446 CD ARG A2982 -5.671 12.434 3.916 1.00 0.00 C ATOM 447 NE ARG A2982 -6.810 13.230 4.407 1.00 0.00 N ATOM 448 CZ ARG A2982 -6.713 14.318 5.196 1.00 0.00 C ATOM 449 NH1 ARG A2982 -5.530 14.740 5.644 1.00 0.00 N ATOM 450 NH2 ARG A2982 -7.811 14.970 5.531 1.00 0.00 N ATOM 0 H ARG A2982 -3.875 12.430 0.223 1.00 0.00 H new ATOM 0 HA ARG A2982 -6.417 13.425 -0.650 1.00 0.00 H new ATOM 0 HB2 ARG A2982 -7.060 13.312 1.700 1.00 0.00 H new ATOM 0 HB3 ARG A2982 -6.277 11.828 1.194 1.00 0.00 H new ATOM 0 HG2 ARG A2982 -4.202 12.467 2.346 1.00 0.00 H new ATOM 0 HG3 ARG A2982 -4.860 14.042 2.741 1.00 0.00 H new ATOM 0 HD2 ARG A2982 -5.984 11.400 3.772 1.00 0.00 H new ATOM 0 HD3 ARG A2982 -4.881 12.426 4.666 1.00 0.00 H new ATOM 0 HE ARG A2982 -7.745 12.934 4.128 1.00 0.00 H new ATOM 0 HH11 ARG A2982 -4.680 14.237 5.390 1.00 0.00 H new ATOM 0 HH12 ARG A2982 -5.476 15.566 6.240 1.00 0.00 H new ATOM 0 HH21 ARG A2982 -8.718 14.649 5.193 1.00 0.00 H new ATOM 0 HH22 ARG A2982 -7.752 15.795 6.128 1.00 0.00 H new ATOM 464 N GLU A2983 -4.288 15.483 0.932 1.00 0.00 N ATOM 465 CA GLU A2983 -4.060 16.889 1.311 1.00 0.00 C ATOM 466 C GLU A2983 -3.864 17.783 0.070 1.00 0.00 C ATOM 467 O GLU A2983 -4.314 18.926 0.068 1.00 0.00 O ATOM 468 CB GLU A2983 -2.881 17.034 2.304 1.00 0.00 C ATOM 469 CG GLU A2983 -1.487 16.758 1.724 1.00 0.00 C ATOM 470 CD GLU A2983 -0.371 16.863 2.774 1.00 0.00 C ATOM 471 OE1 GLU A2983 -0.040 17.996 3.188 1.00 0.00 O ATOM 472 OE2 GLU A2983 0.156 15.824 3.210 1.00 0.00 O ATOM 0 H GLU A2983 -3.525 14.851 1.174 1.00 0.00 H new ATOM 0 HA GLU A2983 -4.958 17.232 1.825 1.00 0.00 H new ATOM 0 HB2 GLU A2983 -2.893 18.046 2.708 1.00 0.00 H new ATOM 0 HB3 GLU A2983 -3.048 16.355 3.140 1.00 0.00 H new ATOM 0 HG2 GLU A2983 -1.473 15.761 1.285 1.00 0.00 H new ATOM 0 HG3 GLU A2983 -1.288 17.464 0.918 1.00 0.00 H new ATOM 479 N VAL A2984 -3.223 17.248 -0.995 1.00 0.00 N ATOM 480 CA VAL A2984 -3.046 17.998 -2.260 1.00 0.00 C ATOM 481 C VAL A2984 -4.383 18.092 -3.018 1.00 0.00 C ATOM 482 O VAL A2984 -4.665 19.101 -3.640 1.00 0.00 O ATOM 483 CB VAL A2984 -1.915 17.407 -3.192 1.00 0.00 C ATOM 484 CG1 VAL A2984 -0.553 17.369 -2.464 1.00 0.00 C ATOM 485 CG2 VAL A2984 -2.281 16.020 -3.766 1.00 0.00 C ATOM 0 H VAL A2984 -2.824 16.310 -1.004 1.00 0.00 H new ATOM 0 HA VAL A2984 -2.714 18.998 -1.982 1.00 0.00 H new ATOM 0 HB VAL A2984 -1.827 18.083 -4.042 1.00 0.00 H new ATOM 0 HG11 VAL A2984 0.205 16.958 -3.131 1.00 0.00 H new ATOM 0 HG12 VAL A2984 -0.269 18.380 -2.171 1.00 0.00 H new ATOM 0 HG13 VAL A2984 -0.633 16.743 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A2984 -1.469 15.662 -4.399 1.00 0.00 H new ATOM 0 HG22 VAL A2984 -2.440 15.318 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A2984 -3.193 16.100 -4.358 1.00 0.00 H new ATOM 495 N LEU A2985 -5.217 17.040 -2.934 1.00 0.00 N ATOM 496 CA LEU A2985 -6.548 17.023 -3.574 1.00 0.00 C ATOM 497 C LEU A2985 -7.452 18.140 -2.988 1.00 0.00 C ATOM 498 O LEU A2985 -8.128 18.886 -3.721 1.00 0.00 O ATOM 499 CB LEU A2985 -7.185 15.632 -3.354 1.00 0.00 C ATOM 500 CG LEU A2985 -8.483 15.321 -4.155 1.00 0.00 C ATOM 501 CD1 LEU A2985 -8.202 15.281 -5.666 1.00 0.00 C ATOM 502 CD2 LEU A2985 -9.130 14.001 -3.684 1.00 0.00 C ATOM 0 H LEU A2985 -4.992 16.185 -2.426 1.00 0.00 H new ATOM 0 HA LEU A2985 -6.443 17.212 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A2985 -6.442 14.875 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A2985 -7.407 15.524 -2.292 1.00 0.00 H new ATOM 0 HG LEU A2985 -9.190 16.128 -3.962 1.00 0.00 H new ATOM 0 HD11 LEU A2985 -9.125 15.062 -6.202 1.00 0.00 H new ATOM 0 HD12 LEU A2985 -7.815 16.247 -5.990 1.00 0.00 H new ATOM 0 HD13 LEU A2985 -7.466 14.506 -5.879 1.00 0.00 H new ATOM 0 HD21 LEU A2985 -10.034 13.812 -4.263 1.00 0.00 H new ATOM 0 HD22 LEU A2985 -8.428 13.180 -3.829 1.00 0.00 H new ATOM 0 HD23 LEU A2985 -9.385 14.078 -2.627 1.00 0.00 H new ATOM 514 N GLN A2986 -7.394 18.264 -1.656 1.00 0.00 N ATOM 515 CA GLN A2986 -8.188 19.226 -0.881 1.00 0.00 C ATOM 516 C GLN A2986 -7.641 20.670 -1.023 1.00 0.00 C ATOM 517 O GLN A2986 -8.411 21.603 -1.228 1.00 0.00 O ATOM 518 CB GLN A2986 -8.205 18.783 0.610 1.00 0.00 C ATOM 519 CG GLN A2986 -8.900 17.424 0.879 1.00 0.00 C ATOM 520 CD GLN A2986 -8.644 16.843 2.289 1.00 0.00 C ATOM 521 OE1 GLN A2986 -8.618 15.626 2.473 1.00 0.00 O ATOM 522 NE2 GLN A2986 -8.480 17.700 3.300 1.00 0.00 N ATOM 0 H GLN A2986 -6.783 17.688 -1.076 1.00 0.00 H new ATOM 0 HA GLN A2986 -9.205 19.236 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A2986 -7.177 18.726 0.969 1.00 0.00 H new ATOM 0 HB3 GLN A2986 -8.706 19.553 1.197 1.00 0.00 H new ATOM 0 HG2 GLN A2986 -9.974 17.545 0.739 1.00 0.00 H new ATOM 0 HG3 GLN A2986 -8.561 16.703 0.135 1.00 0.00 H new ATOM 0 HE21 GLN A2986 -8.505 18.705 3.126 1.00 0.00 H new ATOM 0 HE22 GLN A2986 -8.330 17.350 4.246 1.00 0.00 H new ATOM 531 N ASN A2987 -6.308 20.847 -0.926 1.00 0.00 N ATOM 532 CA ASN A2987 -5.674 22.196 -0.911 1.00 0.00 C ATOM 533 C ASN A2987 -5.620 22.825 -2.319 1.00 0.00 C ATOM 534 O ASN A2987 -5.715 24.050 -2.460 1.00 0.00 O ATOM 535 CB ASN A2987 -4.248 22.137 -0.287 1.00 0.00 C ATOM 536 CG ASN A2987 -4.222 21.874 1.231 1.00 0.00 C ATOM 537 OD1 ASN A2987 -3.336 22.359 1.932 1.00 0.00 O ATOM 538 ND2 ASN A2987 -5.148 21.077 1.754 1.00 0.00 N ATOM 0 H ASN A2987 -5.643 20.077 -0.856 1.00 0.00 H new ATOM 0 HA ASN A2987 -6.301 22.835 -0.288 1.00 0.00 H new ATOM 0 HB2 ASN A2987 -3.679 21.354 -0.788 1.00 0.00 H new ATOM 0 HB3 ASN A2987 -3.739 23.079 -0.488 1.00 0.00 H new ATOM 0 HD21 ASN A2987 -5.130 20.860 2.750 1.00 0.00 H new ATOM 0 HD22 ASN A2987 -5.877 20.683 1.159 1.00 0.00 H new ATOM 545 N GLN A2988 -5.457 21.988 -3.359 1.00 0.00 N ATOM 546 CA GLN A2988 -5.361 22.465 -4.759 1.00 0.00 C ATOM 547 C GLN A2988 -6.760 22.714 -5.362 1.00 0.00 C ATOM 548 O GLN A2988 -7.022 23.788 -5.906 1.00 0.00 O ATOM 549 CB GLN A2988 -4.569 21.454 -5.638 1.00 0.00 C ATOM 550 CG GLN A2988 -3.077 21.300 -5.263 1.00 0.00 C ATOM 551 CD GLN A2988 -2.365 20.143 -5.979 1.00 0.00 C ATOM 552 OE1 GLN A2988 -1.172 20.218 -6.263 1.00 0.00 O ATOM 553 NE2 GLN A2988 -3.071 19.042 -6.228 1.00 0.00 N ATOM 0 H GLN A2988 -5.388 20.975 -3.261 1.00 0.00 H new ATOM 0 HA GLN A2988 -4.821 23.412 -4.746 1.00 0.00 H new ATOM 0 HB2 GLN A2988 -5.050 20.478 -5.567 1.00 0.00 H new ATOM 0 HB3 GLN A2988 -4.637 21.768 -6.679 1.00 0.00 H new ATOM 0 HG2 GLN A2988 -2.558 22.230 -5.494 1.00 0.00 H new ATOM 0 HG3 GLN A2988 -2.998 21.150 -4.186 1.00 0.00 H new ATOM 0 HE21 GLN A2988 -4.060 19.004 -5.983 1.00 0.00 H new ATOM 0 HE22 GLN A2988 -2.622 18.236 -6.664 1.00 0.00 H new ATOM 562 N LEU A2989 -7.650 21.708 -5.275 1.00 0.00 N ATOM 563 CA LEU A2989 -8.968 21.746 -5.952 1.00 0.00 C ATOM 564 C LEU A2989 -10.067 22.198 -4.987 1.00 0.00 C ATOM 565 O LEU A2989 -10.965 22.952 -5.375 1.00 0.00 O ATOM 566 CB LEU A2989 -9.358 20.362 -6.546 1.00 0.00 C ATOM 567 CG LEU A2989 -8.381 19.713 -7.584 1.00 0.00 C ATOM 568 CD1 LEU A2989 -8.005 20.681 -8.729 1.00 0.00 C ATOM 569 CD2 LEU A2989 -7.129 19.133 -6.892 1.00 0.00 C ATOM 0 H LEU A2989 -7.483 20.855 -4.742 1.00 0.00 H new ATOM 0 HA LEU A2989 -8.876 22.463 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU A2989 -9.479 19.664 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A2989 -10.333 20.464 -7.022 1.00 0.00 H new ATOM 0 HG LEU A2989 -8.918 18.884 -8.046 1.00 0.00 H new ATOM 0 HD11 LEU A2989 -7.326 20.181 -9.420 1.00 0.00 H new ATOM 0 HD12 LEU A2989 -8.907 20.983 -9.261 1.00 0.00 H new ATOM 0 HD13 LEU A2989 -7.516 21.563 -8.314 1.00 0.00 H new ATOM 0 HD21 LEU A2989 -6.472 18.690 -7.640 1.00 0.00 H new ATOM 0 HD22 LEU A2989 -6.599 19.930 -6.370 1.00 0.00 H new ATOM 0 HD23 LEU A2989 -7.430 18.368 -6.176 1.00 0.00 H new ATOM 581 N GLY A2990 -9.999 21.718 -3.730 1.00 0.00 N ATOM 582 CA GLY A2990 -11.070 21.940 -2.753 1.00 0.00 C ATOM 583 C GLY A2990 -12.116 20.836 -2.765 1.00 0.00 C ATOM 584 O GLY A2990 -13.228 21.014 -2.245 1.00 0.00 O ATOM 0 H GLY A2990 -9.213 21.175 -3.373 1.00 0.00 H new ATOM 0 HA2 GLY A2990 -10.636 22.013 -1.756 1.00 0.00 H new ATOM 0 HA3 GLY A2990 -11.553 22.895 -2.961 1.00 0.00 H new ATOM 588 N ILE A2991 -11.752 19.679 -3.349 1.00 0.00 N ATOM 589 CA ILE A2991 -12.645 18.513 -3.465 1.00 0.00 C ATOM 590 C ILE A2991 -12.166 17.410 -2.493 1.00 0.00 C ATOM 591 O ILE A2991 -10.972 17.084 -2.427 1.00 0.00 O ATOM 592 CB ILE A2991 -12.714 18.029 -4.976 1.00 0.00 C ATOM 593 CG1 ILE A2991 -13.858 16.978 -5.244 1.00 0.00 C ATOM 594 CG2 ILE A2991 -11.355 17.507 -5.493 1.00 0.00 C ATOM 595 CD1 ILE A2991 -13.530 15.508 -4.970 1.00 0.00 C ATOM 0 H ILE A2991 -10.828 19.527 -3.754 1.00 0.00 H new ATOM 0 HA ILE A2991 -13.663 18.778 -3.180 1.00 0.00 H new ATOM 0 HB ILE A2991 -12.966 18.923 -5.547 1.00 0.00 H new ATOM 0 HG12 ILE A2991 -14.719 17.252 -4.635 1.00 0.00 H new ATOM 0 HG13 ILE A2991 -14.163 17.068 -6.286 1.00 0.00 H new ATOM 0 HG21 ILE A2991 -11.458 17.189 -6.530 1.00 0.00 H new ATOM 0 HG22 ILE A2991 -10.612 18.302 -5.429 1.00 0.00 H new ATOM 0 HG23 ILE A2991 -11.035 16.661 -4.884 1.00 0.00 H new ATOM 0 HD11 ILE A2991 -14.401 14.893 -5.195 1.00 0.00 H new ATOM 0 HD12 ILE A2991 -12.695 15.198 -5.599 1.00 0.00 H new ATOM 0 HD13 ILE A2991 -13.260 15.385 -3.921 1.00 0.00 H new ATOM 607 N ARG A2992 -13.109 16.880 -1.699 1.00 0.00 N ATOM 608 CA ARG A2992 -12.861 15.761 -0.767 1.00 0.00 C ATOM 609 C ARG A2992 -13.491 14.481 -1.355 1.00 0.00 C ATOM 610 O ARG A2992 -14.579 14.558 -1.933 1.00 0.00 O ATOM 611 CB ARG A2992 -13.446 16.106 0.636 1.00 0.00 C ATOM 612 CG ARG A2992 -14.981 16.302 0.664 1.00 0.00 C ATOM 613 CD ARG A2992 -15.496 16.887 1.988 1.00 0.00 C ATOM 614 NE ARG A2992 -15.005 18.262 2.204 1.00 0.00 N ATOM 615 CZ ARG A2992 -15.605 19.198 2.973 1.00 0.00 C ATOM 616 NH1 ARG A2992 -16.709 18.920 3.670 1.00 0.00 N ATOM 617 NH2 ARG A2992 -15.101 20.414 3.037 1.00 0.00 N ATOM 0 H ARG A2992 -14.072 17.215 -1.683 1.00 0.00 H new ATOM 0 HA ARG A2992 -11.791 15.593 -0.641 1.00 0.00 H new ATOM 0 HB2 ARG A2992 -13.182 15.309 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A2992 -12.970 17.017 1.000 1.00 0.00 H new ATOM 0 HG2 ARG A2992 -15.271 16.962 -0.154 1.00 0.00 H new ATOM 0 HG3 ARG A2992 -15.466 15.342 0.486 1.00 0.00 H new ATOM 0 HD2 ARG A2992 -16.586 16.886 1.987 1.00 0.00 H new ATOM 0 HD3 ARG A2992 -15.177 16.252 2.815 1.00 0.00 H new ATOM 0 HE ARG A2992 -14.140 18.528 1.733 1.00 0.00 H new ATOM 0 HH11 ARG A2992 -17.116 17.986 3.629 1.00 0.00 H new ATOM 0 HH12 ARG A2992 -17.145 19.642 4.244 1.00 0.00 H new ATOM 0 HH21 ARG A2992 -14.261 20.646 2.507 1.00 0.00 H new ATOM 0 HH22 ARG A2992 -15.551 21.123 3.616 1.00 0.00 H new