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 180:sc= 0 USER MOD Single : A2971 SER OG : rot 180:sc= 0 USER MOD Single : A2986 GLN : amide:sc= -0.856 K(o=-0.86,f=-1.6!) USER MOD Single : A2987 ASN : amide:sc=-0.00193 K(o=-0.0019,f=-0.73) USER MOD Single : A2988 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 81 N ASP A2957 -8.046 4.987 -10.873 1.00 0.00 N ATOM 82 CA ASP A2957 -7.897 5.044 -12.341 1.00 0.00 C ATOM 83 C ASP A2957 -9.074 5.835 -12.955 1.00 0.00 C ATOM 84 O ASP A2957 -10.221 5.470 -12.714 1.00 0.00 O ATOM 85 CB ASP A2957 -7.843 3.606 -12.928 1.00 0.00 C ATOM 86 CG ASP A2957 -7.786 3.591 -14.467 1.00 0.00 C ATOM 87 OD1 ASP A2957 -6.719 3.883 -15.037 1.00 0.00 O ATOM 88 OD2 ASP A2957 -8.815 3.304 -15.110 1.00 0.00 O ATOM 0 HA ASP A2957 -6.965 5.553 -12.588 1.00 0.00 H new ATOM 0 HB2 ASP A2957 -6.969 3.089 -12.532 1.00 0.00 H new ATOM 0 HB3 ASP A2957 -8.720 3.050 -12.596 1.00 0.00 H new ATOM 93 N PRO A2958 -8.823 6.922 -13.768 1.00 0.00 N ATOM 94 CA PRO A2958 -9.910 7.780 -14.347 1.00 0.00 C ATOM 95 C PRO A2958 -10.936 6.989 -15.197 1.00 0.00 C ATOM 96 O PRO A2958 -12.137 7.286 -15.176 1.00 0.00 O ATOM 97 CB PRO A2958 -9.130 8.826 -15.203 1.00 0.00 C ATOM 98 CG PRO A2958 -7.785 8.200 -15.439 1.00 0.00 C ATOM 99 CD PRO A2958 -7.483 7.408 -14.183 1.00 0.00 C ATOM 0 HA PRO A2958 -10.525 8.231 -13.568 1.00 0.00 H new ATOM 0 HB2 PRO A2958 -9.642 9.029 -16.143 1.00 0.00 H new ATOM 0 HB3 PRO A2958 -9.037 9.777 -14.678 1.00 0.00 H new ATOM 0 HG2 PRO A2958 -7.801 7.554 -16.317 1.00 0.00 H new ATOM 0 HG3 PRO A2958 -7.024 8.960 -15.617 1.00 0.00 H new ATOM 0 HD2 PRO A2958 -6.797 6.584 -14.380 1.00 0.00 H new ATOM 0 HD3 PRO A2958 -7.023 8.029 -13.415 1.00 0.00 H new ATOM 107 N LEU A2959 -10.457 5.952 -15.905 1.00 0.00 N ATOM 108 CA LEU A2959 -11.304 5.128 -16.800 1.00 0.00 C ATOM 109 C LEU A2959 -12.163 4.121 -15.993 1.00 0.00 C ATOM 110 O LEU A2959 -13.146 3.584 -16.509 1.00 0.00 O ATOM 111 CB LEU A2959 -10.404 4.402 -17.834 1.00 0.00 C ATOM 112 CG LEU A2959 -11.126 3.562 -18.944 1.00 0.00 C ATOM 113 CD1 LEU A2959 -11.983 4.449 -19.884 1.00 0.00 C ATOM 114 CD2 LEU A2959 -10.111 2.722 -19.744 1.00 0.00 C ATOM 0 H LEU A2959 -9.480 5.659 -15.877 1.00 0.00 H new ATOM 0 HA LEU A2959 -11.997 5.780 -17.331 1.00 0.00 H new ATOM 0 HB2 LEU A2959 -9.783 5.150 -18.326 1.00 0.00 H new ATOM 0 HB3 LEU A2959 -9.732 3.738 -17.290 1.00 0.00 H new ATOM 0 HG LEU A2959 -11.811 2.881 -18.439 1.00 0.00 H new ATOM 0 HD11 LEU A2959 -12.464 3.824 -20.636 1.00 0.00 H new ATOM 0 HD12 LEU A2959 -12.745 4.966 -19.301 1.00 0.00 H new ATOM 0 HD13 LEU A2959 -11.343 5.182 -20.376 1.00 0.00 H new ATOM 0 HD21 LEU A2959 -10.636 2.148 -20.508 1.00 0.00 H new ATOM 0 HD22 LEU A2959 -9.387 3.383 -20.220 1.00 0.00 H new ATOM 0 HD23 LEU A2959 -9.592 2.040 -19.070 1.00 0.00 H new ATOM 126 N ALA A2960 -11.794 3.890 -14.710 1.00 0.00 N ATOM 127 CA ALA A2960 -12.560 3.022 -13.777 1.00 0.00 C ATOM 128 C ALA A2960 -13.970 3.577 -13.476 1.00 0.00 C ATOM 129 O ALA A2960 -14.837 2.846 -12.978 1.00 0.00 O ATOM 130 CB ALA A2960 -11.782 2.825 -12.466 1.00 0.00 C ATOM 0 H ALA A2960 -10.958 4.299 -14.291 1.00 0.00 H new ATOM 0 HA ALA A2960 -12.688 2.060 -14.273 1.00 0.00 H new ATOM 0 HB1 ALA A2960 -12.357 2.187 -11.794 1.00 0.00 H new ATOM 0 HB2 ALA A2960 -10.822 2.355 -12.680 1.00 0.00 H new ATOM 0 HB3 ALA A2960 -11.615 3.793 -11.993 1.00 0.00 H new ATOM 136 N GLY A2961 -14.184 4.869 -13.785 1.00 0.00 N ATOM 137 CA GLY A2961 -15.474 5.532 -13.576 1.00 0.00 C ATOM 138 C GLY A2961 -15.553 6.313 -12.275 1.00 0.00 C ATOM 139 O GLY A2961 -16.610 6.858 -11.951 1.00 0.00 O ATOM 0 H GLY A2961 -13.468 5.476 -14.184 1.00 0.00 H new ATOM 0 HA2 GLY A2961 -15.664 6.209 -14.409 1.00 0.00 H new ATOM 0 HA3 GLY A2961 -16.265 4.782 -13.588 1.00 0.00 H new ATOM 143 N ILE A2962 -14.441 6.358 -11.519 1.00 0.00 N ATOM 144 CA ILE A2962 -14.341 7.166 -10.283 1.00 0.00 C ATOM 145 C ILE A2962 -14.214 8.673 -10.620 1.00 0.00 C ATOM 146 O ILE A2962 -13.805 9.037 -11.728 1.00 0.00 O ATOM 147 CB ILE A2962 -13.165 6.658 -9.337 1.00 0.00 C ATOM 148 CG1 ILE A2962 -11.810 6.435 -10.104 1.00 0.00 C ATOM 149 CG2 ILE A2962 -13.576 5.355 -8.607 1.00 0.00 C ATOM 150 CD1 ILE A2962 -11.052 7.690 -10.490 1.00 0.00 C ATOM 0 H ILE A2962 -13.591 5.841 -11.743 1.00 0.00 H new ATOM 0 HA ILE A2962 -15.265 7.034 -9.720 1.00 0.00 H new ATOM 0 HB ILE A2962 -12.995 7.451 -8.608 1.00 0.00 H new ATOM 0 HG12 ILE A2962 -11.161 5.819 -9.482 1.00 0.00 H new ATOM 0 HG13 ILE A2962 -12.018 5.866 -11.010 1.00 0.00 H new ATOM 0 HG21 ILE A2962 -12.759 5.024 -7.966 1.00 0.00 H new ATOM 0 HG22 ILE A2962 -14.461 5.542 -7.999 1.00 0.00 H new ATOM 0 HG23 ILE A2962 -13.797 4.581 -9.342 1.00 0.00 H new ATOM 0 HD11 ILE A2962 -10.136 7.415 -11.013 1.00 0.00 H new ATOM 0 HD12 ILE A2962 -11.672 8.303 -11.143 1.00 0.00 H new ATOM 0 HD13 ILE A2962 -10.802 8.255 -9.592 1.00 0.00 H new ATOM 162 N SER A2963 -14.590 9.540 -9.667 1.00 0.00 N ATOM 163 CA SER A2963 -14.605 11.002 -9.871 1.00 0.00 C ATOM 164 C SER A2963 -13.292 11.644 -9.387 1.00 0.00 C ATOM 165 O SER A2963 -13.102 11.862 -8.178 1.00 0.00 O ATOM 166 CB SER A2963 -15.820 11.624 -9.145 1.00 0.00 C ATOM 167 OG SER A2963 -17.042 11.097 -9.639 1.00 0.00 O ATOM 0 H SER A2963 -14.891 9.252 -8.736 1.00 0.00 H new ATOM 0 HA SER A2963 -14.694 11.200 -10.939 1.00 0.00 H new ATOM 0 HB2 SER A2963 -15.745 11.431 -8.075 1.00 0.00 H new ATOM 0 HB3 SER A2963 -15.809 12.706 -9.275 1.00 0.00 H new ATOM 0 HG SER A2963 -17.792 11.507 -9.160 1.00 0.00 H new ATOM 173 N LEU A2964 -12.362 11.888 -10.327 1.00 0.00 N ATOM 174 CA LEU A2964 -11.174 12.729 -10.094 1.00 0.00 C ATOM 175 C LEU A2964 -11.390 14.109 -10.746 1.00 0.00 C ATOM 176 O LEU A2964 -11.869 14.180 -11.890 1.00 0.00 O ATOM 177 CB LEU A2964 -9.881 12.070 -10.655 1.00 0.00 C ATOM 178 CG LEU A2964 -9.382 10.795 -9.902 1.00 0.00 C ATOM 179 CD1 LEU A2964 -8.132 10.187 -10.577 1.00 0.00 C ATOM 180 CD2 LEU A2964 -9.127 11.083 -8.396 1.00 0.00 C ATOM 0 H LEU A2964 -12.413 11.507 -11.272 1.00 0.00 H new ATOM 0 HA LEU A2964 -11.043 12.842 -9.018 1.00 0.00 H new ATOM 0 HB2 LEU A2964 -10.054 11.807 -11.699 1.00 0.00 H new ATOM 0 HB3 LEU A2964 -9.083 12.812 -10.641 1.00 0.00 H new ATOM 0 HG LEU A2964 -10.179 10.054 -9.963 1.00 0.00 H new ATOM 0 HD11 LEU A2964 -7.815 9.302 -10.025 1.00 0.00 H new ATOM 0 HD12 LEU A2964 -8.372 9.908 -11.603 1.00 0.00 H new ATOM 0 HD13 LEU A2964 -7.327 10.921 -10.580 1.00 0.00 H new ATOM 0 HD21 LEU A2964 -8.781 10.173 -7.905 1.00 0.00 H new ATOM 0 HD22 LEU A2964 -8.368 11.859 -8.297 1.00 0.00 H new ATOM 0 HD23 LEU A2964 -10.052 11.418 -7.928 1.00 0.00 H new ATOM 192 N PRO A2965 -11.066 15.224 -10.024 1.00 0.00 N ATOM 193 CA PRO A2965 -11.124 16.602 -10.591 1.00 0.00 C ATOM 194 C PRO A2965 -10.107 16.802 -11.742 1.00 0.00 C ATOM 195 O PRO A2965 -9.097 16.092 -11.817 1.00 0.00 O ATOM 196 CB PRO A2965 -10.788 17.501 -9.369 1.00 0.00 C ATOM 197 CG PRO A2965 -10.011 16.599 -8.457 1.00 0.00 C ATOM 198 CD PRO A2965 -10.646 15.244 -8.593 1.00 0.00 C ATOM 0 HA PRO A2965 -12.090 16.831 -11.040 1.00 0.00 H new ATOM 0 HB2 PRO A2965 -10.202 18.372 -9.663 1.00 0.00 H new ATOM 0 HB3 PRO A2965 -11.692 17.873 -8.887 1.00 0.00 H new ATOM 0 HG2 PRO A2965 -8.958 16.569 -8.739 1.00 0.00 H new ATOM 0 HG3 PRO A2965 -10.055 16.951 -7.426 1.00 0.00 H new ATOM 0 HD2 PRO A2965 -9.943 14.442 -8.365 1.00 0.00 H new ATOM 0 HD3 PRO A2965 -11.495 15.125 -7.920 1.00 0.00 H new ATOM 206 N GLU A2966 -10.382 17.779 -12.619 1.00 0.00 N ATOM 207 CA GLU A2966 -9.514 18.096 -13.767 1.00 0.00 C ATOM 208 C GLU A2966 -8.236 18.831 -13.289 1.00 0.00 C ATOM 209 O GLU A2966 -8.303 19.696 -12.408 1.00 0.00 O ATOM 210 CB GLU A2966 -10.295 18.957 -14.796 1.00 0.00 C ATOM 211 CG GLU A2966 -9.503 19.333 -16.071 1.00 0.00 C ATOM 212 CD GLU A2966 -10.307 20.206 -17.049 1.00 0.00 C ATOM 213 OE1 GLU A2966 -10.367 21.435 -16.840 1.00 0.00 O ATOM 214 OE2 GLU A2966 -10.904 19.663 -18.008 1.00 0.00 O ATOM 0 H GLU A2966 -11.210 18.371 -12.554 1.00 0.00 H new ATOM 0 HA GLU A2966 -9.209 17.168 -14.251 1.00 0.00 H new ATOM 0 HB2 GLU A2966 -11.194 18.416 -15.092 1.00 0.00 H new ATOM 0 HB3 GLU A2966 -10.622 19.874 -14.306 1.00 0.00 H new ATOM 0 HG2 GLU A2966 -8.595 19.863 -15.784 1.00 0.00 H new ATOM 0 HG3 GLU A2966 -9.192 18.421 -16.580 1.00 0.00 H new ATOM 221 N GLY A2967 -7.077 18.456 -13.866 1.00 0.00 N ATOM 222 CA GLY A2967 -5.789 19.096 -13.554 1.00 0.00 C ATOM 223 C GLY A2967 -4.836 18.195 -12.783 1.00 0.00 C ATOM 224 O GLY A2967 -3.614 18.353 -12.890 1.00 0.00 O ATOM 0 H GLY A2967 -7.010 17.707 -14.555 1.00 0.00 H new ATOM 0 HA2 GLY A2967 -5.312 19.406 -14.484 1.00 0.00 H new ATOM 0 HA3 GLY A2967 -5.972 20.000 -12.973 1.00 0.00 H new ATOM 228 N VAL A2968 -5.389 17.247 -12.004 1.00 0.00 N ATOM 229 CA VAL A2968 -4.591 16.337 -11.161 1.00 0.00 C ATOM 230 C VAL A2968 -4.240 15.040 -11.934 1.00 0.00 C ATOM 231 O VAL A2968 -5.075 14.499 -12.671 1.00 0.00 O ATOM 232 CB VAL A2968 -5.339 16.006 -9.807 1.00 0.00 C ATOM 233 CG1 VAL A2968 -6.594 15.122 -10.012 1.00 0.00 C ATOM 234 CG2 VAL A2968 -4.383 15.398 -8.757 1.00 0.00 C ATOM 0 H VAL A2968 -6.395 17.091 -11.941 1.00 0.00 H new ATOM 0 HA VAL A2968 -3.660 16.844 -10.908 1.00 0.00 H new ATOM 0 HB VAL A2968 -5.694 16.960 -9.417 1.00 0.00 H new ATOM 0 HG11 VAL A2968 -7.064 14.929 -9.048 1.00 0.00 H new ATOM 0 HG12 VAL A2968 -7.300 15.638 -10.663 1.00 0.00 H new ATOM 0 HG13 VAL A2968 -6.302 14.177 -10.469 1.00 0.00 H new ATOM 0 HG21 VAL A2968 -4.936 15.185 -7.842 1.00 0.00 H new ATOM 0 HG22 VAL A2968 -3.955 14.474 -9.146 1.00 0.00 H new ATOM 0 HG23 VAL A2968 -3.582 16.105 -8.541 1.00 0.00 H new ATOM 244 N ASP A2969 -2.985 14.570 -11.796 1.00 0.00 N ATOM 245 CA ASP A2969 -2.551 13.277 -12.357 1.00 0.00 C ATOM 246 C ASP A2969 -2.751 12.173 -11.310 1.00 0.00 C ATOM 247 O ASP A2969 -2.230 12.296 -10.194 1.00 0.00 O ATOM 248 CB ASP A2969 -1.064 13.307 -12.804 1.00 0.00 C ATOM 249 CG ASP A2969 -0.828 14.172 -14.050 1.00 0.00 C ATOM 250 OD1 ASP A2969 -0.958 13.649 -15.179 1.00 0.00 O ATOM 251 OD2 ASP A2969 -0.509 15.371 -13.911 1.00 0.00 O ATOM 0 H ASP A2969 -2.250 15.071 -11.297 1.00 0.00 H new ATOM 0 HA ASP A2969 -3.158 13.076 -13.240 1.00 0.00 H new ATOM 0 HB2 ASP A2969 -0.452 13.685 -11.985 1.00 0.00 H new ATOM 0 HB3 ASP A2969 -0.731 12.289 -13.007 1.00 0.00 H new ATOM 256 N PRO A2970 -3.506 11.071 -11.652 1.00 0.00 N ATOM 257 CA PRO A2970 -3.639 9.881 -10.772 1.00 0.00 C ATOM 258 C PRO A2970 -2.313 9.118 -10.583 1.00 0.00 C ATOM 259 O PRO A2970 -2.245 8.215 -9.744 1.00 0.00 O ATOM 260 CB PRO A2970 -4.695 9.013 -11.499 1.00 0.00 C ATOM 261 CG PRO A2970 -4.586 9.424 -12.935 1.00 0.00 C ATOM 262 CD PRO A2970 -4.301 10.906 -12.904 1.00 0.00 C ATOM 0 HA PRO A2970 -3.928 10.156 -9.758 1.00 0.00 H new ATOM 0 HB2 PRO A2970 -4.491 7.950 -11.373 1.00 0.00 H new ATOM 0 HB3 PRO A2970 -5.696 9.194 -11.108 1.00 0.00 H new ATOM 0 HG2 PRO A2970 -3.788 8.880 -13.440 1.00 0.00 H new ATOM 0 HG3 PRO A2970 -5.508 9.212 -13.476 1.00 0.00 H new ATOM 0 HD2 PRO A2970 -3.741 11.227 -13.782 1.00 0.00 H new ATOM 0 HD3 PRO A2970 -5.219 11.493 -12.879 1.00 0.00 H new ATOM 270 N SER A2971 -1.276 9.493 -11.369 1.00 0.00 N ATOM 271 CA SER A2971 0.084 8.939 -11.268 1.00 0.00 C ATOM 272 C SER A2971 0.636 9.057 -9.833 1.00 0.00 C ATOM 273 O SER A2971 0.909 8.041 -9.195 1.00 0.00 O ATOM 274 CB SER A2971 1.015 9.675 -12.257 1.00 0.00 C ATOM 275 OG SER A2971 0.531 9.588 -13.582 1.00 0.00 O ATOM 0 H SER A2971 -1.368 10.199 -12.099 1.00 0.00 H new ATOM 0 HA SER A2971 0.042 7.880 -11.521 1.00 0.00 H new ATOM 0 HB2 SER A2971 1.101 10.722 -11.967 1.00 0.00 H new ATOM 0 HB3 SER A2971 2.016 9.246 -12.205 1.00 0.00 H new ATOM 0 HG SER A2971 1.140 10.064 -14.185 1.00 0.00 H new ATOM 281 N PHE A2972 0.739 10.306 -9.322 1.00 0.00 N ATOM 282 CA PHE A2972 1.272 10.566 -7.963 1.00 0.00 C ATOM 283 C PHE A2972 0.206 10.300 -6.887 1.00 0.00 C ATOM 284 O PHE A2972 0.548 10.059 -5.734 1.00 0.00 O ATOM 285 CB PHE A2972 1.865 12.003 -7.835 1.00 0.00 C ATOM 286 CG PHE A2972 0.922 13.166 -8.175 1.00 0.00 C ATOM 287 CD1 PHE A2972 0.023 13.675 -7.229 1.00 0.00 C ATOM 288 CD2 PHE A2972 0.954 13.768 -9.435 1.00 0.00 C ATOM 289 CE1 PHE A2972 -0.810 14.731 -7.535 1.00 0.00 C ATOM 290 CE2 PHE A2972 0.119 14.824 -9.736 1.00 0.00 C ATOM 291 CZ PHE A2972 -0.761 15.308 -8.789 1.00 0.00 C ATOM 0 H PHE A2972 0.461 11.147 -9.828 1.00 0.00 H new ATOM 0 HA PHE A2972 2.092 9.867 -7.799 1.00 0.00 H new ATOM 0 HB2 PHE A2972 2.217 12.137 -6.812 1.00 0.00 H new ATOM 0 HB3 PHE A2972 2.738 12.071 -8.484 1.00 0.00 H new ATOM 0 HD1 PHE A2972 -0.019 13.234 -6.244 1.00 0.00 H new ATOM 0 HD2 PHE A2972 1.641 13.402 -10.183 1.00 0.00 H new ATOM 0 HE1 PHE A2972 -1.500 15.107 -6.794 1.00 0.00 H new ATOM 0 HE2 PHE A2972 0.154 15.274 -10.717 1.00 0.00 H new ATOM 0 HZ PHE A2972 -1.411 16.137 -9.028 1.00 0.00 H new ATOM 301 N LEU A2973 -1.087 10.335 -7.271 1.00 0.00 N ATOM 302 CA LEU A2973 -2.189 10.000 -6.350 1.00 0.00 C ATOM 303 C LEU A2973 -2.107 8.522 -5.908 1.00 0.00 C ATOM 304 O LEU A2973 -2.426 8.186 -4.765 1.00 0.00 O ATOM 305 CB LEU A2973 -3.567 10.274 -7.008 1.00 0.00 C ATOM 306 CG LEU A2973 -3.907 11.765 -7.335 1.00 0.00 C ATOM 307 CD1 LEU A2973 -5.332 11.892 -7.931 1.00 0.00 C ATOM 308 CD2 LEU A2973 -3.740 12.682 -6.091 1.00 0.00 C ATOM 0 H LEU A2973 -1.391 10.591 -8.210 1.00 0.00 H new ATOM 0 HA LEU A2973 -2.088 10.637 -5.471 1.00 0.00 H new ATOM 0 HB2 LEU A2973 -3.621 9.702 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A2973 -4.342 9.885 -6.348 1.00 0.00 H new ATOM 0 HG LEU A2973 -3.193 12.103 -8.086 1.00 0.00 H new ATOM 0 HD11 LEU A2973 -5.543 12.939 -8.149 1.00 0.00 H new ATOM 0 HD12 LEU A2973 -5.395 11.310 -8.850 1.00 0.00 H new ATOM 0 HD13 LEU A2973 -6.061 11.517 -7.213 1.00 0.00 H new ATOM 0 HD21 LEU A2973 -3.986 13.709 -6.361 1.00 0.00 H new ATOM 0 HD22 LEU A2973 -4.408 12.345 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A2973 -2.709 12.636 -5.741 1.00 0.00 H new ATOM 320 N ALA A2974 -1.679 7.662 -6.845 1.00 0.00 N ATOM 321 CA ALA A2974 -1.586 6.208 -6.635 1.00 0.00 C ATOM 322 C ALA A2974 -0.182 5.794 -6.158 1.00 0.00 C ATOM 323 O ALA A2974 -0.044 4.871 -5.345 1.00 0.00 O ATOM 324 CB ALA A2974 -1.951 5.493 -7.941 1.00 0.00 C ATOM 0 H ALA A2974 -1.386 7.957 -7.776 1.00 0.00 H new ATOM 0 HA ALA A2974 -2.286 5.919 -5.851 1.00 0.00 H new ATOM 0 HB1 ALA A2974 -1.885 4.415 -7.796 1.00 0.00 H new ATOM 0 HB2 ALA A2974 -2.968 5.759 -8.229 1.00 0.00 H new ATOM 0 HB3 ALA A2974 -1.260 5.796 -8.727 1.00 0.00 H new ATOM 330 N ALA A2975 0.853 6.487 -6.681 1.00 0.00 N ATOM 331 CA ALA A2975 2.275 6.190 -6.380 1.00 0.00 C ATOM 332 C ALA A2975 2.669 6.626 -4.961 1.00 0.00 C ATOM 333 O ALA A2975 3.632 6.102 -4.392 1.00 0.00 O ATOM 334 CB ALA A2975 3.205 6.846 -7.417 1.00 0.00 C ATOM 0 H ALA A2975 0.728 7.269 -7.324 1.00 0.00 H new ATOM 0 HA ALA A2975 2.391 5.108 -6.436 1.00 0.00 H new ATOM 0 HB1 ALA A2975 4.242 6.614 -7.174 1.00 0.00 H new ATOM 0 HB2 ALA A2975 2.970 6.463 -8.410 1.00 0.00 H new ATOM 0 HB3 ALA A2975 3.062 7.927 -7.402 1.00 0.00 H new ATOM 340 N LEU A2976 1.932 7.606 -4.415 1.00 0.00 N ATOM 341 CA LEU A2976 2.161 8.146 -3.060 1.00 0.00 C ATOM 342 C LEU A2976 0.984 7.744 -2.134 1.00 0.00 C ATOM 343 O LEU A2976 -0.158 7.685 -2.609 1.00 0.00 O ATOM 344 CB LEU A2976 2.305 9.687 -3.138 1.00 0.00 C ATOM 345 CG LEU A2976 3.359 10.242 -4.156 1.00 0.00 C ATOM 346 CD1 LEU A2976 3.382 11.790 -4.161 1.00 0.00 C ATOM 347 CD2 LEU A2976 4.773 9.658 -3.901 1.00 0.00 C ATOM 0 H LEU A2976 1.154 8.051 -4.903 1.00 0.00 H new ATOM 0 HA LEU A2976 3.080 7.733 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A2976 1.332 10.108 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A2976 2.563 10.056 -2.145 1.00 0.00 H new ATOM 0 HG LEU A2976 3.048 9.913 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A2976 4.124 12.141 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A2976 2.399 12.168 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A2976 3.639 12.153 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A2976 5.473 10.069 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A2976 5.099 9.921 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A2976 4.742 8.573 -4.000 1.00 0.00 H new ATOM 359 N PRO A2977 1.238 7.457 -0.805 1.00 0.00 N ATOM 360 CA PRO A2977 0.186 6.975 0.150 1.00 0.00 C ATOM 361 C PRO A2977 -0.901 8.028 0.453 1.00 0.00 C ATOM 362 O PRO A2977 -0.753 9.206 0.113 1.00 0.00 O ATOM 363 CB PRO A2977 0.993 6.622 1.422 1.00 0.00 C ATOM 364 CG PRO A2977 2.193 7.516 1.346 1.00 0.00 C ATOM 365 CD PRO A2977 2.561 7.562 -0.122 1.00 0.00 C ATOM 0 HA PRO A2977 -0.375 6.136 -0.263 1.00 0.00 H new ATOM 0 HB2 PRO A2977 0.414 6.806 2.327 1.00 0.00 H new ATOM 0 HB3 PRO A2977 1.278 5.570 1.435 1.00 0.00 H new ATOM 0 HG2 PRO A2977 1.967 8.512 1.727 1.00 0.00 H new ATOM 0 HG3 PRO A2977 3.015 7.124 1.946 1.00 0.00 H new ATOM 0 HD2 PRO A2977 3.076 8.488 -0.380 1.00 0.00 H new ATOM 0 HD3 PRO A2977 3.223 6.741 -0.398 1.00 0.00 H new ATOM 373 N ASP A2978 -1.957 7.594 1.172 1.00 0.00 N ATOM 374 CA ASP A2978 -3.203 8.374 1.343 1.00 0.00 C ATOM 375 C ASP A2978 -3.010 9.711 2.086 1.00 0.00 C ATOM 376 O ASP A2978 -3.880 10.575 1.997 1.00 0.00 O ATOM 377 CB ASP A2978 -4.282 7.523 2.045 1.00 0.00 C ATOM 378 CG ASP A2978 -3.987 7.275 3.533 1.00 0.00 C ATOM 379 OD1 ASP A2978 -3.040 6.521 3.839 1.00 0.00 O ATOM 380 OD2 ASP A2978 -4.701 7.829 4.399 1.00 0.00 O ATOM 0 H ASP A2978 -1.971 6.693 1.651 1.00 0.00 H new ATOM 0 HA ASP A2978 -3.531 8.633 0.336 1.00 0.00 H new ATOM 0 HB2 ASP A2978 -5.247 8.022 1.951 1.00 0.00 H new ATOM 0 HB3 ASP A2978 -4.368 6.564 1.534 1.00 0.00 H new ATOM 385 N ASP A2979 -1.876 9.871 2.796 1.00 0.00 N ATOM 386 CA ASP A2979 -1.604 11.066 3.626 1.00 0.00 C ATOM 387 C ASP A2979 -1.450 12.308 2.737 1.00 0.00 C ATOM 388 O ASP A2979 -2.247 13.276 2.819 1.00 0.00 O ATOM 389 CB ASP A2979 -0.289 10.855 4.436 1.00 0.00 C ATOM 390 CG ASP A2979 -0.214 9.515 5.179 1.00 0.00 C ATOM 391 OD1 ASP A2979 0.082 8.486 4.526 1.00 0.00 O ATOM 392 OD2 ASP A2979 -0.454 9.477 6.407 1.00 0.00 O ATOM 0 H ASP A2979 -1.125 9.181 2.812 1.00 0.00 H new ATOM 0 HA ASP A2979 -2.441 11.213 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A2979 0.559 10.928 3.755 1.00 0.00 H new ATOM 0 HB3 ASP A2979 -0.187 11.664 5.159 1.00 0.00 H new ATOM 397 N ILE A2980 -0.467 12.244 1.817 1.00 0.00 N ATOM 398 CA ILE A2980 -0.214 13.354 0.885 1.00 0.00 C ATOM 399 C ILE A2980 -1.176 13.274 -0.301 1.00 0.00 C ATOM 400 O ILE A2980 -1.505 14.291 -0.867 1.00 0.00 O ATOM 401 CB ILE A2980 1.277 13.516 0.388 1.00 0.00 C ATOM 402 CG1 ILE A2980 1.727 12.375 -0.557 1.00 0.00 C ATOM 403 CG2 ILE A2980 2.246 13.661 1.585 1.00 0.00 C ATOM 404 CD1 ILE A2980 1.920 11.030 0.109 1.00 0.00 C ATOM 0 H ILE A2980 0.156 11.445 1.702 1.00 0.00 H new ATOM 0 HA ILE A2980 -0.397 14.256 1.470 1.00 0.00 H new ATOM 0 HB ILE A2980 1.310 14.433 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A2980 0.987 12.268 -1.350 1.00 0.00 H new ATOM 0 HG13 ILE A2980 2.664 12.666 -1.032 1.00 0.00 H new ATOM 0 HG21 ILE A2980 3.266 13.771 1.216 1.00 0.00 H new ATOM 0 HG22 ILE A2980 1.974 14.541 2.169 1.00 0.00 H new ATOM 0 HG23 ILE A2980 2.182 12.774 2.215 1.00 0.00 H new ATOM 0 HD11 ILE A2980 2.235 10.298 -0.634 1.00 0.00 H new ATOM 0 HD12 ILE A2980 2.684 11.113 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A2980 0.981 10.709 0.560 1.00 0.00 H new ATOM 416 N ARG A2981 -1.646 12.053 -0.636 1.00 0.00 N ATOM 417 CA ARG A2981 -2.691 11.827 -1.670 1.00 0.00 C ATOM 418 C ARG A2981 -3.927 12.713 -1.418 1.00 0.00 C ATOM 419 O ARG A2981 -4.396 13.419 -2.336 1.00 0.00 O ATOM 420 CB ARG A2981 -3.055 10.298 -1.712 1.00 0.00 C ATOM 421 CG ARG A2981 -4.478 9.895 -2.178 1.00 0.00 C ATOM 422 CD ARG A2981 -4.773 10.275 -3.626 1.00 0.00 C ATOM 423 NE ARG A2981 -6.075 9.795 -4.092 1.00 0.00 N ATOM 424 CZ ARG A2981 -7.274 10.296 -3.746 1.00 0.00 C ATOM 425 NH1 ARG A2981 -7.379 11.299 -2.872 1.00 0.00 N ATOM 426 NH2 ARG A2981 -8.366 9.770 -4.282 1.00 0.00 N ATOM 0 H ARG A2981 -1.314 11.193 -0.200 1.00 0.00 H new ATOM 0 HA ARG A2981 -2.303 12.116 -2.647 1.00 0.00 H new ATOM 0 HB2 ARG A2981 -2.338 9.803 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A2981 -2.905 9.893 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A2981 -4.599 8.818 -2.061 1.00 0.00 H new ATOM 0 HG3 ARG A2981 -5.213 10.371 -1.529 1.00 0.00 H new ATOM 0 HD2 ARG A2981 -4.736 11.360 -3.725 1.00 0.00 H new ATOM 0 HD3 ARG A2981 -3.992 9.869 -4.268 1.00 0.00 H new ATOM 0 HE ARG A2981 -6.073 9.007 -4.740 1.00 0.00 H new ATOM 0 HH11 ARG A2981 -6.540 11.700 -2.453 1.00 0.00 H new ATOM 0 HH12 ARG A2981 -8.298 11.664 -2.623 1.00 0.00 H new ATOM 0 HH21 ARG A2981 -8.288 8.999 -4.945 1.00 0.00 H new ATOM 0 HH22 ARG A2981 -9.284 10.137 -4.032 1.00 0.00 H new ATOM 440 N ARG A2982 -4.436 12.695 -0.173 1.00 0.00 N ATOM 441 CA ARG A2982 -5.639 13.457 0.178 1.00 0.00 C ATOM 442 C ARG A2982 -5.338 14.959 0.249 1.00 0.00 C ATOM 443 O ARG A2982 -6.112 15.750 -0.297 1.00 0.00 O ATOM 444 CB ARG A2982 -6.299 12.965 1.489 1.00 0.00 C ATOM 445 CG ARG A2982 -5.501 13.202 2.795 1.00 0.00 C ATOM 446 CD ARG A2982 -6.299 12.792 4.041 1.00 0.00 C ATOM 447 NE ARG A2982 -7.576 13.540 4.116 1.00 0.00 N ATOM 448 CZ ARG A2982 -8.795 12.984 4.180 1.00 0.00 C ATOM 449 NH1 ARG A2982 -8.944 11.668 4.287 1.00 0.00 N ATOM 450 NH2 ARG A2982 -9.867 13.761 4.142 1.00 0.00 N ATOM 0 H ARG A2982 -4.033 12.164 0.599 1.00 0.00 H new ATOM 0 HA ARG A2982 -6.360 13.283 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A2982 -7.268 13.454 1.588 1.00 0.00 H new ATOM 0 HB3 ARG A2982 -6.490 11.896 1.395 1.00 0.00 H new ATOM 0 HG2 ARG A2982 -4.570 12.636 2.759 1.00 0.00 H new ATOM 0 HG3 ARG A2982 -5.231 14.255 2.868 1.00 0.00 H new ATOM 0 HD2 ARG A2982 -6.500 11.721 4.014 1.00 0.00 H new ATOM 0 HD3 ARG A2982 -5.707 12.982 4.936 1.00 0.00 H new ATOM 0 HE ARG A2982 -7.524 14.559 4.119 1.00 0.00 H new ATOM 0 HH11 ARG A2982 -8.124 11.063 4.322 1.00 0.00 H new ATOM 0 HH12 ARG A2982 -9.879 11.263 4.334 1.00 0.00 H new ATOM 0 HH21 ARG A2982 -9.761 14.773 4.065 1.00 0.00 H new ATOM 0 HH22 ARG A2982 -10.798 13.348 4.190 1.00 0.00 H new ATOM 464 N GLU A2983 -4.194 15.355 0.885 1.00 0.00 N ATOM 465 CA GLU A2983 -3.888 16.787 1.084 1.00 0.00 C ATOM 466 C GLU A2983 -3.632 17.496 -0.265 1.00 0.00 C ATOM 467 O GLU A2983 -4.120 18.601 -0.466 1.00 0.00 O ATOM 468 CB GLU A2983 -2.707 17.028 2.069 1.00 0.00 C ATOM 469 CG GLU A2983 -1.328 16.610 1.555 1.00 0.00 C ATOM 470 CD GLU A2983 -0.173 16.945 2.510 1.00 0.00 C ATOM 471 OE1 GLU A2983 0.372 18.064 2.424 1.00 0.00 O ATOM 472 OE2 GLU A2983 0.195 16.094 3.360 1.00 0.00 O ATOM 0 H GLU A2983 -3.492 14.714 1.256 1.00 0.00 H new ATOM 0 HA GLU A2983 -4.773 17.225 1.546 1.00 0.00 H new ATOM 0 HB2 GLU A2983 -2.676 18.088 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A2983 -2.911 16.487 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A2983 -1.332 15.536 1.370 1.00 0.00 H new ATOM 0 HG3 GLU A2983 -1.146 17.098 0.597 1.00 0.00 H new ATOM 479 N VAL A2984 -2.910 16.828 -1.210 1.00 0.00 N ATOM 480 CA VAL A2984 -2.606 17.416 -2.538 1.00 0.00 C ATOM 481 C VAL A2984 -3.889 17.550 -3.384 1.00 0.00 C ATOM 482 O VAL A2984 -4.052 18.530 -4.104 1.00 0.00 O ATOM 483 CB VAL A2984 -1.483 16.622 -3.335 1.00 0.00 C ATOM 484 CG1 VAL A2984 -0.176 16.530 -2.511 1.00 0.00 C ATOM 485 CG2 VAL A2984 -1.962 15.224 -3.811 1.00 0.00 C ATOM 0 H VAL A2984 -2.533 15.890 -1.074 1.00 0.00 H new ATOM 0 HA VAL A2984 -2.200 18.410 -2.348 1.00 0.00 H new ATOM 0 HB VAL A2984 -1.271 17.194 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A2984 0.575 15.982 -3.080 1.00 0.00 H new ATOM 0 HG12 VAL A2984 0.191 17.534 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A2984 -0.373 16.009 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A2984 -1.155 14.727 -4.349 1.00 0.00 H new ATOM 0 HG22 VAL A2984 -2.246 14.623 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A2984 -2.822 15.339 -4.471 1.00 0.00 H new ATOM 495 N LEU A2985 -4.817 16.576 -3.252 1.00 0.00 N ATOM 496 CA LEU A2985 -6.095 16.594 -3.992 1.00 0.00 C ATOM 497 C LEU A2985 -6.981 17.788 -3.537 1.00 0.00 C ATOM 498 O LEU A2985 -7.527 18.541 -4.362 1.00 0.00 O ATOM 499 CB LEU A2985 -6.841 15.250 -3.784 1.00 0.00 C ATOM 500 CG LEU A2985 -8.021 14.968 -4.770 1.00 0.00 C ATOM 501 CD1 LEU A2985 -7.512 14.693 -6.202 1.00 0.00 C ATOM 502 CD2 LEU A2985 -8.932 13.827 -4.265 1.00 0.00 C ATOM 0 H LEU A2985 -4.703 15.768 -2.639 1.00 0.00 H new ATOM 0 HA LEU A2985 -5.883 16.721 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A2985 -6.119 14.438 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A2985 -7.229 15.225 -2.766 1.00 0.00 H new ATOM 0 HG LEU A2985 -8.629 15.872 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A2985 -8.360 14.501 -6.859 1.00 0.00 H new ATOM 0 HD12 LEU A2985 -6.961 15.560 -6.565 1.00 0.00 H new ATOM 0 HD13 LEU A2985 -6.855 13.823 -6.194 1.00 0.00 H new ATOM 0 HD21 LEU A2985 -9.739 13.663 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A2985 -8.347 12.913 -4.162 1.00 0.00 H new ATOM 0 HD23 LEU A2985 -9.353 14.099 -3.297 1.00 0.00 H new ATOM 514 N GLN A2986 -7.056 17.967 -2.207 1.00 0.00 N ATOM 515 CA GLN A2986 -7.886 19.009 -1.572 1.00 0.00 C ATOM 516 C GLN A2986 -7.267 20.414 -1.760 1.00 0.00 C ATOM 517 O GLN A2986 -7.986 21.374 -2.029 1.00 0.00 O ATOM 518 CB GLN A2986 -8.068 18.691 -0.060 1.00 0.00 C ATOM 519 CG GLN A2986 -8.805 17.358 0.246 1.00 0.00 C ATOM 520 CD GLN A2986 -8.756 16.929 1.727 1.00 0.00 C ATOM 521 OE1 GLN A2986 -9.689 16.307 2.241 1.00 0.00 O ATOM 522 NE2 GLN A2986 -7.657 17.212 2.413 1.00 0.00 N ATOM 0 H GLN A2986 -6.542 17.392 -1.539 1.00 0.00 H new ATOM 0 HA GLN A2986 -8.862 19.011 -2.057 1.00 0.00 H new ATOM 0 HB2 GLN A2986 -7.085 18.662 0.411 1.00 0.00 H new ATOM 0 HB3 GLN A2986 -8.620 19.509 0.404 1.00 0.00 H new ATOM 0 HG2 GLN A2986 -9.847 17.455 -0.057 1.00 0.00 H new ATOM 0 HG3 GLN A2986 -8.368 16.567 -0.364 1.00 0.00 H new ATOM 0 HE21 GLN A2986 -6.897 17.727 1.969 1.00 0.00 H new ATOM 0 HE22 GLN A2986 -7.572 16.914 3.385 1.00 0.00 H new ATOM 531 N ASN A2987 -5.930 20.519 -1.642 1.00 0.00 N ATOM 532 CA ASN A2987 -5.209 21.817 -1.691 1.00 0.00 C ATOM 533 C ASN A2987 -5.106 22.366 -3.125 1.00 0.00 C ATOM 534 O ASN A2987 -5.202 23.582 -3.334 1.00 0.00 O ATOM 535 CB ASN A2987 -3.790 21.694 -1.061 1.00 0.00 C ATOM 536 CG ASN A2987 -3.811 21.542 0.472 1.00 0.00 C ATOM 537 OD1 ASN A2987 -4.688 22.078 1.153 1.00 0.00 O ATOM 538 ND2 ASN A2987 -2.861 20.796 1.025 1.00 0.00 N ATOM 0 H ASN A2987 -5.317 19.715 -1.511 1.00 0.00 H new ATOM 0 HA ASN A2987 -5.794 22.525 -1.104 1.00 0.00 H new ATOM 0 HB2 ASN A2987 -3.281 20.834 -1.497 1.00 0.00 H new ATOM 0 HB3 ASN A2987 -3.207 22.577 -1.323 1.00 0.00 H new ATOM 0 HD21 ASN A2987 -2.846 20.656 2.035 1.00 0.00 H new ATOM 0 HD22 ASN A2987 -2.147 20.363 0.439 1.00 0.00 H new ATOM 545 N GLN A2988 -4.883 21.478 -4.108 1.00 0.00 N ATOM 546 CA GLN A2988 -4.721 21.882 -5.520 1.00 0.00 C ATOM 547 C GLN A2988 -6.072 22.245 -6.158 1.00 0.00 C ATOM 548 O GLN A2988 -6.250 23.355 -6.671 1.00 0.00 O ATOM 549 CB GLN A2988 -4.012 20.761 -6.342 1.00 0.00 C ATOM 550 CG GLN A2988 -2.515 20.559 -6.020 1.00 0.00 C ATOM 551 CD GLN A2988 -1.687 21.802 -6.327 1.00 0.00 C ATOM 552 OE1 GLN A2988 -1.168 21.969 -7.437 1.00 0.00 O ATOM 553 NE2 GLN A2988 -1.564 22.689 -5.360 1.00 0.00 N ATOM 0 H GLN A2988 -4.810 20.472 -3.953 1.00 0.00 H new ATOM 0 HA GLN A2988 -4.092 22.772 -5.536 1.00 0.00 H new ATOM 0 HB2 GLN A2988 -4.535 19.820 -6.170 1.00 0.00 H new ATOM 0 HB3 GLN A2988 -4.112 20.992 -7.403 1.00 0.00 H new ATOM 0 HG2 GLN A2988 -2.403 20.301 -4.967 1.00 0.00 H new ATOM 0 HG3 GLN A2988 -2.131 19.717 -6.597 1.00 0.00 H new ATOM 0 HE21 GLN A2988 -2.004 22.522 -4.455 1.00 0.00 H new ATOM 0 HE22 GLN A2988 -1.028 23.543 -5.516 1.00 0.00 H new ATOM 562 N LEU A2989 -7.027 21.306 -6.107 1.00 0.00 N ATOM 563 CA LEU A2989 -8.279 21.408 -6.887 1.00 0.00 C ATOM 564 C LEU A2989 -9.419 21.985 -6.041 1.00 0.00 C ATOM 565 O LEU A2989 -10.377 22.541 -6.596 1.00 0.00 O ATOM 566 CB LEU A2989 -8.690 20.032 -7.474 1.00 0.00 C ATOM 567 CG LEU A2989 -7.600 19.261 -8.315 1.00 0.00 C ATOM 568 CD1 LEU A2989 -6.850 20.179 -9.315 1.00 0.00 C ATOM 569 CD2 LEU A2989 -6.611 18.497 -7.399 1.00 0.00 C ATOM 0 H LEU A2989 -6.961 20.464 -5.535 1.00 0.00 H new ATOM 0 HA LEU A2989 -8.088 22.092 -7.714 1.00 0.00 H new ATOM 0 HB2 LEU A2989 -8.999 19.390 -6.649 1.00 0.00 H new ATOM 0 HB3 LEU A2989 -9.565 20.181 -8.107 1.00 0.00 H new ATOM 0 HG LEU A2989 -8.139 18.527 -8.914 1.00 0.00 H new ATOM 0 HD11 LEU A2989 -6.113 19.593 -9.865 1.00 0.00 H new ATOM 0 HD12 LEU A2989 -7.563 20.614 -10.015 1.00 0.00 H new ATOM 0 HD13 LEU A2989 -6.346 20.976 -8.769 1.00 0.00 H new ATOM 0 HD21 LEU A2989 -5.874 17.978 -8.012 1.00 0.00 H new ATOM 0 HD22 LEU A2989 -6.103 19.204 -6.742 1.00 0.00 H new ATOM 0 HD23 LEU A2989 -7.159 17.772 -6.797 1.00 0.00 H new ATOM 581 N GLY A2990 -9.307 21.850 -4.702 1.00 0.00 N ATOM 582 CA GLY A2990 -10.336 22.341 -3.778 1.00 0.00 C ATOM 583 C GLY A2990 -11.542 21.422 -3.665 1.00 0.00 C ATOM 584 O GLY A2990 -12.614 21.849 -3.229 1.00 0.00 O ATOM 0 H GLY A2990 -8.512 21.404 -4.243 1.00 0.00 H new ATOM 0 HA2 GLY A2990 -9.894 22.469 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY A2990 -10.669 23.325 -4.108 1.00 0.00 H new ATOM 588 N ILE A2991 -11.361 20.158 -4.058 1.00 0.00 N ATOM 589 CA ILE A2991 -12.411 19.124 -3.997 1.00 0.00 C ATOM 590 C ILE A2991 -12.440 18.500 -2.575 1.00 0.00 C ATOM 591 O ILE A2991 -11.379 18.304 -1.955 1.00 0.00 O ATOM 592 CB ILE A2991 -12.156 18.044 -5.130 1.00 0.00 C ATOM 593 CG1 ILE A2991 -13.348 17.018 -5.302 1.00 0.00 C ATOM 594 CG2 ILE A2991 -10.806 17.313 -4.910 1.00 0.00 C ATOM 595 CD1 ILE A2991 -13.344 15.784 -4.389 1.00 0.00 C ATOM 0 H ILE A2991 -10.476 19.816 -4.431 1.00 0.00 H new ATOM 0 HA ILE A2991 -13.392 19.562 -4.181 1.00 0.00 H new ATOM 0 HB ILE A2991 -12.101 18.595 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A2991 -14.283 17.555 -5.141 1.00 0.00 H new ATOM 0 HG13 ILE A2991 -13.352 16.674 -6.336 1.00 0.00 H new ATOM 0 HG21 ILE A2991 -10.657 16.578 -5.701 1.00 0.00 H new ATOM 0 HG22 ILE A2991 -9.992 18.038 -4.930 1.00 0.00 H new ATOM 0 HG23 ILE A2991 -10.819 16.808 -3.944 1.00 0.00 H new ATOM 0 HD11 ILE A2991 -14.214 15.165 -4.610 1.00 0.00 H new ATOM 0 HD12 ILE A2991 -12.435 15.207 -4.561 1.00 0.00 H new ATOM 0 HD13 ILE A2991 -13.380 16.102 -3.347 1.00 0.00 H new ATOM 607 N ARG A2992 -13.648 18.207 -2.059 1.00 0.00 N ATOM 608 CA ARG A2992 -13.828 17.626 -0.714 1.00 0.00 C ATOM 609 C ARG A2992 -14.376 16.171 -0.824 1.00 0.00 C ATOM 610 O ARG A2992 -15.376 15.931 -1.516 1.00 0.00 O ATOM 611 CB ARG A2992 -14.744 18.546 0.148 1.00 0.00 C ATOM 612 CG ARG A2992 -16.199 18.737 -0.361 1.00 0.00 C ATOM 613 CD ARG A2992 -16.940 19.868 0.378 1.00 0.00 C ATOM 614 NE ARG A2992 -16.318 21.181 0.122 1.00 0.00 N ATOM 615 CZ ARG A2992 -16.494 22.295 0.854 1.00 0.00 C ATOM 616 NH1 ARG A2992 -17.293 22.309 1.910 1.00 0.00 N ATOM 617 NH2 ARG A2992 -15.869 23.408 0.506 1.00 0.00 N ATOM 0 H ARG A2992 -14.523 18.365 -2.559 1.00 0.00 H new ATOM 0 HA ARG A2992 -12.864 17.566 -0.209 1.00 0.00 H new ATOM 0 HB2 ARG A2992 -14.785 18.139 1.158 1.00 0.00 H new ATOM 0 HB3 ARG A2992 -14.274 19.527 0.219 1.00 0.00 H new ATOM 0 HG2 ARG A2992 -16.181 18.956 -1.429 1.00 0.00 H new ATOM 0 HG3 ARG A2992 -16.749 17.804 -0.236 1.00 0.00 H new ATOM 0 HD2 ARG A2992 -17.982 19.890 0.060 1.00 0.00 H new ATOM 0 HD3 ARG A2992 -16.938 19.666 1.449 1.00 0.00 H new ATOM 0 HE ARG A2992 -15.697 21.250 -0.684 1.00 0.00 H new ATOM 0 HH11 ARG A2992 -17.791 21.462 2.184 1.00 0.00 H new ATOM 0 HH12 ARG A2992 -17.410 23.167 2.450 1.00 0.00 H new ATOM 0 HH21 ARG A2992 -15.259 23.416 -0.312 1.00 0.00 H new ATOM 0 HH22 ARG A2992 -15.997 24.258 1.056 1.00 0.00 H new