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 48:sc= 0.271 USER MOD Single : A2971 SER OG : rot 180:sc= 0.0155 USER MOD Single : A2986 GLN : amide:sc= -0.567 K(o=-0.57,f=0) USER MOD Single : A2987 ASN : amide:sc=-0.00225 X(o=-0.0022,f=-0.48) USER MOD Single : A2988 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.091) USER MOD ----------------------------------------------------------------- ATOM 81 N ASP A2957 -7.503 4.751 -10.963 1.00 0.00 N ATOM 82 CA ASP A2957 -7.653 4.473 -12.402 1.00 0.00 C ATOM 83 C ASP A2957 -8.470 5.596 -13.076 1.00 0.00 C ATOM 84 O ASP A2957 -9.633 5.790 -12.723 1.00 0.00 O ATOM 85 CB ASP A2957 -8.335 3.091 -12.619 1.00 0.00 C ATOM 86 CG ASP A2957 -8.391 2.685 -14.106 1.00 0.00 C ATOM 87 OD1 ASP A2957 -7.396 2.123 -14.616 1.00 0.00 O ATOM 88 OD2 ASP A2957 -9.417 2.933 -14.767 1.00 0.00 O ATOM 0 HA ASP A2957 -6.664 4.441 -12.860 1.00 0.00 H new ATOM 0 HB2 ASP A2957 -7.792 2.330 -12.058 1.00 0.00 H new ATOM 0 HB3 ASP A2957 -9.347 3.122 -12.216 1.00 0.00 H new ATOM 93 N PRO A2958 -7.879 6.350 -14.068 1.00 0.00 N ATOM 94 CA PRO A2958 -8.580 7.473 -14.762 1.00 0.00 C ATOM 95 C PRO A2958 -9.812 7.016 -15.590 1.00 0.00 C ATOM 96 O PRO A2958 -10.799 7.756 -15.704 1.00 0.00 O ATOM 97 CB PRO A2958 -7.471 8.088 -15.662 1.00 0.00 C ATOM 98 CG PRO A2958 -6.491 6.972 -15.872 1.00 0.00 C ATOM 99 CD PRO A2958 -6.491 6.182 -14.581 1.00 0.00 C ATOM 0 HA PRO A2958 -9.005 8.184 -14.054 1.00 0.00 H new ATOM 0 HB2 PRO A2958 -7.879 8.440 -16.609 1.00 0.00 H new ATOM 0 HB3 PRO A2958 -6.999 8.944 -15.180 1.00 0.00 H new ATOM 0 HG2 PRO A2958 -6.785 6.346 -16.715 1.00 0.00 H new ATOM 0 HG3 PRO A2958 -5.497 7.360 -16.094 1.00 0.00 H new ATOM 0 HD2 PRO A2958 -6.251 5.133 -14.753 1.00 0.00 H new ATOM 0 HD3 PRO A2958 -5.754 6.566 -13.876 1.00 0.00 H new ATOM 107 N LEU A2959 -9.761 5.785 -16.136 1.00 0.00 N ATOM 108 CA LEU A2959 -10.842 5.227 -16.985 1.00 0.00 C ATOM 109 C LEU A2959 -12.027 4.716 -16.126 1.00 0.00 C ATOM 110 O LEU A2959 -13.101 4.410 -16.658 1.00 0.00 O ATOM 111 CB LEU A2959 -10.263 4.091 -17.878 1.00 0.00 C ATOM 112 CG LEU A2959 -11.232 3.455 -18.939 1.00 0.00 C ATOM 113 CD1 LEU A2959 -11.760 4.510 -19.941 1.00 0.00 C ATOM 114 CD2 LEU A2959 -10.566 2.270 -19.674 1.00 0.00 C ATOM 0 H LEU A2959 -8.975 5.149 -16.004 1.00 0.00 H new ATOM 0 HA LEU A2959 -11.231 6.018 -17.625 1.00 0.00 H new ATOM 0 HB2 LEU A2959 -9.394 4.484 -18.405 1.00 0.00 H new ATOM 0 HB3 LEU A2959 -9.906 3.295 -17.225 1.00 0.00 H new ATOM 0 HG LEU A2959 -12.092 3.066 -18.394 1.00 0.00 H new ATOM 0 HD11 LEU A2959 -12.426 4.030 -20.658 1.00 0.00 H new ATOM 0 HD12 LEU A2959 -12.305 5.284 -19.401 1.00 0.00 H new ATOM 0 HD13 LEU A2959 -10.921 4.960 -20.471 1.00 0.00 H new ATOM 0 HD21 LEU A2959 -11.264 1.854 -20.400 1.00 0.00 H new ATOM 0 HD22 LEU A2959 -9.671 2.618 -20.189 1.00 0.00 H new ATOM 0 HD23 LEU A2959 -10.293 1.501 -18.951 1.00 0.00 H new ATOM 126 N ALA A2960 -11.830 4.659 -14.789 1.00 0.00 N ATOM 127 CA ALA A2960 -12.856 4.204 -13.820 1.00 0.00 C ATOM 128 C ALA A2960 -14.137 5.068 -13.830 1.00 0.00 C ATOM 129 O ALA A2960 -15.182 4.638 -13.324 1.00 0.00 O ATOM 130 CB ALA A2960 -12.254 4.148 -12.409 1.00 0.00 C ATOM 0 H ALA A2960 -10.950 4.929 -14.349 1.00 0.00 H new ATOM 0 HA ALA A2960 -13.163 3.206 -14.132 1.00 0.00 H new ATOM 0 HB1 ALA A2960 -13.013 3.813 -11.702 1.00 0.00 H new ATOM 0 HB2 ALA A2960 -11.416 3.451 -12.398 1.00 0.00 H new ATOM 0 HB3 ALA A2960 -11.905 5.140 -12.123 1.00 0.00 H new ATOM 136 N GLY A2961 -14.060 6.268 -14.439 1.00 0.00 N ATOM 137 CA GLY A2961 -15.168 7.225 -14.448 1.00 0.00 C ATOM 138 C GLY A2961 -15.130 8.140 -13.234 1.00 0.00 C ATOM 139 O GLY A2961 -16.167 8.616 -12.762 1.00 0.00 O ATOM 0 H GLY A2961 -13.230 6.593 -14.934 1.00 0.00 H new ATOM 0 HA2 GLY A2961 -15.124 7.825 -15.357 1.00 0.00 H new ATOM 0 HA3 GLY A2961 -16.115 6.685 -14.468 1.00 0.00 H new ATOM 143 N ILE A2962 -13.910 8.371 -12.733 1.00 0.00 N ATOM 144 CA ILE A2962 -13.646 9.235 -11.567 1.00 0.00 C ATOM 145 C ILE A2962 -13.476 10.705 -11.997 1.00 0.00 C ATOM 146 O ILE A2962 -13.188 10.998 -13.168 1.00 0.00 O ATOM 147 CB ILE A2962 -12.353 8.764 -10.800 1.00 0.00 C ATOM 148 CG1 ILE A2962 -11.124 8.697 -11.771 1.00 0.00 C ATOM 149 CG2 ILE A2962 -12.590 7.403 -10.098 1.00 0.00 C ATOM 150 CD1 ILE A2962 -9.787 8.471 -11.094 1.00 0.00 C ATOM 0 H ILE A2962 -13.065 7.959 -13.129 1.00 0.00 H new ATOM 0 HA ILE A2962 -14.505 9.156 -10.901 1.00 0.00 H new ATOM 0 HB ILE A2962 -12.129 9.500 -10.028 1.00 0.00 H new ATOM 0 HG12 ILE A2962 -11.291 7.895 -12.490 1.00 0.00 H new ATOM 0 HG13 ILE A2962 -11.076 9.627 -12.337 1.00 0.00 H new ATOM 0 HG21 ILE A2962 -11.682 7.100 -9.576 1.00 0.00 H new ATOM 0 HG22 ILE A2962 -13.406 7.500 -9.382 1.00 0.00 H new ATOM 0 HG23 ILE A2962 -12.849 6.650 -10.842 1.00 0.00 H new ATOM 0 HD11 ILE A2962 -8.999 8.439 -11.846 1.00 0.00 H new ATOM 0 HD12 ILE A2962 -9.590 9.285 -10.396 1.00 0.00 H new ATOM 0 HD13 ILE A2962 -9.809 7.526 -10.552 1.00 0.00 H new ATOM 162 N SER A2963 -13.638 11.619 -11.031 1.00 0.00 N ATOM 163 CA SER A2963 -13.497 13.067 -11.251 1.00 0.00 C ATOM 164 C SER A2963 -12.104 13.538 -10.793 1.00 0.00 C ATOM 165 O SER A2963 -11.920 13.958 -9.644 1.00 0.00 O ATOM 166 CB SER A2963 -14.636 13.826 -10.526 1.00 0.00 C ATOM 167 OG SER A2963 -14.695 13.494 -9.147 1.00 0.00 O ATOM 0 H SER A2963 -13.872 11.374 -10.069 1.00 0.00 H new ATOM 0 HA SER A2963 -13.582 13.286 -12.315 1.00 0.00 H new ATOM 0 HB2 SER A2963 -14.485 14.900 -10.635 1.00 0.00 H new ATOM 0 HB3 SER A2963 -15.589 13.589 -10.998 1.00 0.00 H new ATOM 0 HG SER A2963 -13.797 13.547 -8.759 1.00 0.00 H new ATOM 173 N LEU A2964 -11.108 13.388 -11.685 1.00 0.00 N ATOM 174 CA LEU A2964 -9.754 13.934 -11.466 1.00 0.00 C ATOM 175 C LEU A2964 -9.767 15.448 -11.751 1.00 0.00 C ATOM 176 O LEU A2964 -10.096 15.850 -12.875 1.00 0.00 O ATOM 177 CB LEU A2964 -8.711 13.230 -12.376 1.00 0.00 C ATOM 178 CG LEU A2964 -8.402 11.744 -12.023 1.00 0.00 C ATOM 179 CD1 LEU A2964 -7.576 11.059 -13.131 1.00 0.00 C ATOM 180 CD2 LEU A2964 -7.700 11.622 -10.642 1.00 0.00 C ATOM 0 H LEU A2964 -11.216 12.891 -12.569 1.00 0.00 H new ATOM 0 HA LEU A2964 -9.468 13.754 -10.430 1.00 0.00 H new ATOM 0 HB2 LEU A2964 -9.066 13.274 -13.406 1.00 0.00 H new ATOM 0 HB3 LEU A2964 -7.780 13.795 -12.335 1.00 0.00 H new ATOM 0 HG LEU A2964 -9.357 11.222 -11.955 1.00 0.00 H new ATOM 0 HD11 LEU A2964 -7.379 10.024 -12.851 1.00 0.00 H new ATOM 0 HD12 LEU A2964 -8.134 11.082 -14.067 1.00 0.00 H new ATOM 0 HD13 LEU A2964 -6.631 11.586 -13.259 1.00 0.00 H new ATOM 0 HD21 LEU A2964 -7.499 10.572 -10.427 1.00 0.00 H new ATOM 0 HD22 LEU A2964 -6.761 12.175 -10.661 1.00 0.00 H new ATOM 0 HD23 LEU A2964 -8.347 12.033 -9.867 1.00 0.00 H new ATOM 192 N PRO A2965 -9.433 16.314 -10.745 1.00 0.00 N ATOM 193 CA PRO A2965 -9.360 17.777 -10.958 1.00 0.00 C ATOM 194 C PRO A2965 -8.199 18.176 -11.905 1.00 0.00 C ATOM 195 O PRO A2965 -7.297 17.372 -12.173 1.00 0.00 O ATOM 196 CB PRO A2965 -9.198 18.349 -9.528 1.00 0.00 C ATOM 197 CG PRO A2965 -8.590 17.225 -8.734 1.00 0.00 C ATOM 198 CD PRO A2965 -9.128 15.944 -9.332 1.00 0.00 C ATOM 0 HA PRO A2965 -10.243 18.174 -11.459 1.00 0.00 H new ATOM 0 HB2 PRO A2965 -8.555 19.229 -9.524 1.00 0.00 H new ATOM 0 HB3 PRO A2965 -10.158 18.653 -9.112 1.00 0.00 H new ATOM 0 HG2 PRO A2965 -7.502 17.253 -8.790 1.00 0.00 H new ATOM 0 HG3 PRO A2965 -8.857 17.304 -7.680 1.00 0.00 H new ATOM 0 HD2 PRO A2965 -8.396 15.138 -9.278 1.00 0.00 H new ATOM 0 HD3 PRO A2965 -10.019 15.600 -8.807 1.00 0.00 H new ATOM 206 N GLU A2966 -8.251 19.429 -12.400 1.00 0.00 N ATOM 207 CA GLU A2966 -7.331 19.932 -13.434 1.00 0.00 C ATOM 208 C GLU A2966 -5.868 19.920 -12.942 1.00 0.00 C ATOM 209 O GLU A2966 -5.582 20.349 -11.815 1.00 0.00 O ATOM 210 CB GLU A2966 -7.751 21.359 -13.875 1.00 0.00 C ATOM 211 CG GLU A2966 -6.935 21.945 -15.053 1.00 0.00 C ATOM 212 CD GLU A2966 -7.017 21.093 -16.337 1.00 0.00 C ATOM 213 OE1 GLU A2966 -8.009 21.222 -17.081 1.00 0.00 O ATOM 214 OE2 GLU A2966 -6.100 20.278 -16.592 1.00 0.00 O ATOM 0 H GLU A2966 -8.935 20.120 -12.092 1.00 0.00 H new ATOM 0 HA GLU A2966 -7.392 19.266 -14.294 1.00 0.00 H new ATOM 0 HB2 GLU A2966 -8.804 21.341 -14.155 1.00 0.00 H new ATOM 0 HB3 GLU A2966 -7.660 22.029 -13.020 1.00 0.00 H new ATOM 0 HG2 GLU A2966 -7.294 22.951 -15.270 1.00 0.00 H new ATOM 0 HG3 GLU A2966 -5.891 22.037 -14.753 1.00 0.00 H new ATOM 221 N GLY A2967 -4.970 19.390 -13.794 1.00 0.00 N ATOM 222 CA GLY A2967 -3.544 19.298 -13.492 1.00 0.00 C ATOM 223 C GLY A2967 -3.203 18.250 -12.433 1.00 0.00 C ATOM 224 O GLY A2967 -2.098 18.264 -11.892 1.00 0.00 O ATOM 0 H GLY A2967 -5.221 19.016 -14.709 1.00 0.00 H new ATOM 0 HA2 GLY A2967 -3.003 19.064 -14.409 1.00 0.00 H new ATOM 0 HA3 GLY A2967 -3.191 20.272 -13.153 1.00 0.00 H new ATOM 228 N VAL A2968 -4.164 17.348 -12.131 1.00 0.00 N ATOM 229 CA VAL A2968 -4.002 16.264 -11.134 1.00 0.00 C ATOM 230 C VAL A2968 -4.188 14.898 -11.821 1.00 0.00 C ATOM 231 O VAL A2968 -5.286 14.564 -12.288 1.00 0.00 O ATOM 232 CB VAL A2968 -5.017 16.426 -9.934 1.00 0.00 C ATOM 233 CG1 VAL A2968 -4.925 15.241 -8.936 1.00 0.00 C ATOM 234 CG2 VAL A2968 -4.798 17.781 -9.216 1.00 0.00 C ATOM 0 H VAL A2968 -5.082 17.352 -12.576 1.00 0.00 H new ATOM 0 HA VAL A2968 -2.996 16.325 -10.719 1.00 0.00 H new ATOM 0 HB VAL A2968 -6.025 16.416 -10.349 1.00 0.00 H new ATOM 0 HG11 VAL A2968 -5.639 15.391 -8.126 1.00 0.00 H new ATOM 0 HG12 VAL A2968 -5.155 14.310 -9.454 1.00 0.00 H new ATOM 0 HG13 VAL A2968 -3.917 15.188 -8.526 1.00 0.00 H new ATOM 0 HG21 VAL A2968 -5.506 17.875 -8.392 1.00 0.00 H new ATOM 0 HG22 VAL A2968 -3.781 17.826 -8.827 1.00 0.00 H new ATOM 0 HG23 VAL A2968 -4.953 18.596 -9.923 1.00 0.00 H new ATOM 244 N ASP A2969 -3.092 14.142 -11.904 1.00 0.00 N ATOM 245 CA ASP A2969 -3.078 12.780 -12.455 1.00 0.00 C ATOM 246 C ASP A2969 -3.091 11.760 -11.301 1.00 0.00 C ATOM 247 O ASP A2969 -2.683 12.093 -10.185 1.00 0.00 O ATOM 248 CB ASP A2969 -1.815 12.594 -13.338 1.00 0.00 C ATOM 249 CG ASP A2969 -1.877 13.409 -14.640 1.00 0.00 C ATOM 250 OD1 ASP A2969 -1.442 14.580 -14.650 1.00 0.00 O ATOM 251 OD2 ASP A2969 -2.372 12.883 -15.661 1.00 0.00 O ATOM 0 H ASP A2969 -2.176 14.460 -11.587 1.00 0.00 H new ATOM 0 HA ASP A2969 -3.962 12.619 -13.072 1.00 0.00 H new ATOM 0 HB2 ASP A2969 -0.933 12.890 -12.770 1.00 0.00 H new ATOM 0 HB3 ASP A2969 -1.698 11.538 -13.580 1.00 0.00 H new ATOM 256 N PRO A2970 -3.541 10.489 -11.543 1.00 0.00 N ATOM 257 CA PRO A2970 -3.532 9.431 -10.507 1.00 0.00 C ATOM 258 C PRO A2970 -2.161 8.745 -10.358 1.00 0.00 C ATOM 259 O PRO A2970 -2.046 7.770 -9.622 1.00 0.00 O ATOM 260 CB PRO A2970 -4.609 8.464 -11.032 1.00 0.00 C ATOM 261 CG PRO A2970 -4.454 8.525 -12.520 1.00 0.00 C ATOM 262 CD PRO A2970 -4.109 9.971 -12.829 1.00 0.00 C ATOM 0 HA PRO A2970 -3.728 9.812 -9.505 1.00 0.00 H new ATOM 0 HB2 PRO A2970 -4.455 7.453 -10.656 1.00 0.00 H new ATOM 0 HB3 PRO A2970 -5.608 8.772 -10.721 1.00 0.00 H new ATOM 0 HG2 PRO A2970 -3.668 7.852 -12.861 1.00 0.00 H new ATOM 0 HG3 PRO A2970 -5.373 8.224 -13.024 1.00 0.00 H new ATOM 0 HD2 PRO A2970 -3.387 10.044 -13.643 1.00 0.00 H new ATOM 0 HD3 PRO A2970 -4.990 10.536 -13.133 1.00 0.00 H new ATOM 270 N SER A2971 -1.139 9.294 -11.044 1.00 0.00 N ATOM 271 CA SER A2971 0.235 8.787 -11.026 1.00 0.00 C ATOM 272 C SER A2971 0.837 8.879 -9.607 1.00 0.00 C ATOM 273 O SER A2971 1.190 7.859 -9.012 1.00 0.00 O ATOM 274 CB SER A2971 1.076 9.597 -12.046 1.00 0.00 C ATOM 275 OG SER A2971 0.943 10.997 -11.828 1.00 0.00 O ATOM 0 H SER A2971 -1.254 10.117 -11.635 1.00 0.00 H new ATOM 0 HA SER A2971 0.242 7.734 -11.308 1.00 0.00 H new ATOM 0 HB2 SER A2971 2.125 9.312 -11.964 1.00 0.00 H new ATOM 0 HB3 SER A2971 0.757 9.352 -13.059 1.00 0.00 H new ATOM 0 HG SER A2971 1.485 11.483 -12.484 1.00 0.00 H new ATOM 281 N PHE A2972 0.896 10.113 -9.067 1.00 0.00 N ATOM 282 CA PHE A2972 1.429 10.383 -7.711 1.00 0.00 C ATOM 283 C PHE A2972 0.428 9.949 -6.630 1.00 0.00 C ATOM 284 O PHE A2972 0.832 9.600 -5.527 1.00 0.00 O ATOM 285 CB PHE A2972 1.840 11.879 -7.540 1.00 0.00 C ATOM 286 CG PHE A2972 0.755 12.928 -7.819 1.00 0.00 C ATOM 287 CD1 PHE A2972 0.427 13.290 -9.128 1.00 0.00 C ATOM 288 CD2 PHE A2972 0.081 13.570 -6.777 1.00 0.00 C ATOM 289 CE1 PHE A2972 -0.541 14.238 -9.382 1.00 0.00 C ATOM 290 CE2 PHE A2972 -0.885 14.523 -7.036 1.00 0.00 C ATOM 291 CZ PHE A2972 -1.194 14.858 -8.338 1.00 0.00 C ATOM 0 H PHE A2972 0.577 10.950 -9.555 1.00 0.00 H new ATOM 0 HA PHE A2972 2.333 9.786 -7.588 1.00 0.00 H new ATOM 0 HB2 PHE A2972 2.195 12.020 -6.519 1.00 0.00 H new ATOM 0 HB3 PHE A2972 2.684 12.078 -8.201 1.00 0.00 H new ATOM 0 HD1 PHE A2972 0.940 12.820 -9.954 1.00 0.00 H new ATOM 0 HD2 PHE A2972 0.319 13.318 -5.754 1.00 0.00 H new ATOM 0 HE1 PHE A2972 -0.788 14.496 -10.401 1.00 0.00 H new ATOM 0 HE2 PHE A2972 -1.399 15.006 -6.218 1.00 0.00 H new ATOM 0 HZ PHE A2972 -1.947 15.606 -8.539 1.00 0.00 H new ATOM 301 N LEU A2973 -0.878 9.943 -6.970 1.00 0.00 N ATOM 302 CA LEU A2973 -1.943 9.510 -6.043 1.00 0.00 C ATOM 303 C LEU A2973 -1.841 7.990 -5.758 1.00 0.00 C ATOM 304 O LEU A2973 -2.231 7.522 -4.682 1.00 0.00 O ATOM 305 CB LEU A2973 -3.343 9.850 -6.625 1.00 0.00 C ATOM 306 CG LEU A2973 -3.590 11.347 -7.007 1.00 0.00 C ATOM 307 CD1 LEU A2973 -5.002 11.563 -7.606 1.00 0.00 C ATOM 308 CD2 LEU A2973 -3.342 12.288 -5.804 1.00 0.00 C ATOM 0 H LEU A2973 -1.221 10.235 -7.885 1.00 0.00 H new ATOM 0 HA LEU A2973 -1.812 10.048 -5.104 1.00 0.00 H new ATOM 0 HB2 LEU A2973 -3.501 9.239 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A2973 -4.098 9.554 -5.896 1.00 0.00 H new ATOM 0 HG LEU A2973 -2.866 11.602 -7.781 1.00 0.00 H new ATOM 0 HD11 LEU A2973 -5.133 12.615 -7.858 1.00 0.00 H new ATOM 0 HD12 LEU A2973 -5.112 10.958 -8.506 1.00 0.00 H new ATOM 0 HD13 LEU A2973 -5.756 11.268 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A2973 -3.523 13.320 -6.106 1.00 0.00 H new ATOM 0 HD22 LEU A2973 -4.018 12.024 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A2973 -2.311 12.184 -5.467 1.00 0.00 H new ATOM 320 N ALA A2974 -1.322 7.244 -6.755 1.00 0.00 N ATOM 321 CA ALA A2974 -1.162 5.779 -6.691 1.00 0.00 C ATOM 322 C ALA A2974 0.225 5.383 -6.160 1.00 0.00 C ATOM 323 O ALA A2974 0.353 4.457 -5.347 1.00 0.00 O ATOM 324 CB ALA A2974 -1.378 5.180 -8.091 1.00 0.00 C ATOM 0 H ALA A2974 -1.000 7.647 -7.635 1.00 0.00 H new ATOM 0 HA ALA A2974 -1.906 5.385 -5.999 1.00 0.00 H new ATOM 0 HB1 ALA A2974 -1.260 4.097 -8.046 1.00 0.00 H new ATOM 0 HB2 ALA A2974 -2.382 5.421 -8.439 1.00 0.00 H new ATOM 0 HB3 ALA A2974 -0.645 5.596 -8.782 1.00 0.00 H new ATOM 330 N ALA A2975 1.259 6.082 -6.653 1.00 0.00 N ATOM 331 CA ALA A2975 2.676 5.771 -6.344 1.00 0.00 C ATOM 332 C ALA A2975 3.014 6.120 -4.888 1.00 0.00 C ATOM 333 O ALA A2975 3.607 5.318 -4.156 1.00 0.00 O ATOM 334 CB ALA A2975 3.612 6.531 -7.302 1.00 0.00 C ATOM 0 H ALA A2975 1.143 6.880 -7.278 1.00 0.00 H new ATOM 0 HA ALA A2975 2.823 4.700 -6.480 1.00 0.00 H new ATOM 0 HB1 ALA A2975 4.648 6.293 -7.063 1.00 0.00 H new ATOM 0 HB2 ALA A2975 3.399 6.235 -8.329 1.00 0.00 H new ATOM 0 HB3 ALA A2975 3.452 7.604 -7.193 1.00 0.00 H new ATOM 340 N LEU A2976 2.619 7.336 -4.499 1.00 0.00 N ATOM 341 CA LEU A2976 2.876 7.899 -3.162 1.00 0.00 C ATOM 342 C LEU A2976 1.674 7.580 -2.233 1.00 0.00 C ATOM 343 O LEU A2976 0.587 7.275 -2.747 1.00 0.00 O ATOM 344 CB LEU A2976 3.108 9.432 -3.310 1.00 0.00 C ATOM 345 CG LEU A2976 4.179 9.862 -4.360 1.00 0.00 C ATOM 346 CD1 LEU A2976 4.249 11.395 -4.494 1.00 0.00 C ATOM 347 CD2 LEU A2976 5.563 9.249 -4.039 1.00 0.00 C ATOM 0 H LEU A2976 2.104 7.969 -5.110 1.00 0.00 H new ATOM 0 HA LEU A2976 3.766 7.458 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A2976 2.160 9.899 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A2976 3.399 9.831 -2.338 1.00 0.00 H new ATOM 0 HG LEU A2976 3.870 9.467 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU A2976 5.005 11.662 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU A2976 3.279 11.777 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU A2976 4.513 11.833 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A2976 6.286 9.569 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A2976 5.890 9.584 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A2976 5.490 8.161 -4.046 1.00 0.00 H new ATOM 359 N PRO A2977 1.836 7.647 -0.859 1.00 0.00 N ATOM 360 CA PRO A2977 0.771 7.234 0.116 1.00 0.00 C ATOM 361 C PRO A2977 -0.521 8.063 -0.014 1.00 0.00 C ATOM 362 O PRO A2977 -0.451 9.229 -0.362 1.00 0.00 O ATOM 363 CB PRO A2977 1.442 7.493 1.496 1.00 0.00 C ATOM 364 CG PRO A2977 2.476 8.543 1.205 1.00 0.00 C ATOM 365 CD PRO A2977 3.041 8.141 -0.134 1.00 0.00 C ATOM 0 HA PRO A2977 0.454 6.204 -0.045 1.00 0.00 H new ATOM 0 HB2 PRO A2977 0.718 7.839 2.233 1.00 0.00 H new ATOM 0 HB3 PRO A2977 1.895 6.586 1.896 1.00 0.00 H new ATOM 0 HG2 PRO A2977 2.034 9.539 1.169 1.00 0.00 H new ATOM 0 HG3 PRO A2977 3.249 8.565 1.973 1.00 0.00 H new ATOM 0 HD2 PRO A2977 3.506 8.983 -0.647 1.00 0.00 H new ATOM 0 HD3 PRO A2977 3.802 7.367 -0.037 1.00 0.00 H new ATOM 373 N ASP A2978 -1.684 7.475 0.366 1.00 0.00 N ATOM 374 CA ASP A2978 -3.020 8.162 0.336 1.00 0.00 C ATOM 375 C ASP A2978 -3.027 9.494 1.144 1.00 0.00 C ATOM 376 O ASP A2978 -3.961 10.305 1.028 1.00 0.00 O ATOM 377 CB ASP A2978 -4.123 7.210 0.856 1.00 0.00 C ATOM 378 CG ASP A2978 -3.918 6.809 2.329 1.00 0.00 C ATOM 379 OD1 ASP A2978 -3.030 5.972 2.604 1.00 0.00 O ATOM 380 OD2 ASP A2978 -4.634 7.323 3.213 1.00 0.00 O ATOM 0 H ASP A2978 -1.732 6.513 0.703 1.00 0.00 H new ATOM 0 HA ASP A2978 -3.224 8.420 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP A2978 -5.094 7.693 0.747 1.00 0.00 H new ATOM 0 HB3 ASP A2978 -4.142 6.312 0.239 1.00 0.00 H new ATOM 385 N ASP A2979 -1.998 9.663 1.986 1.00 0.00 N ATOM 386 CA ASP A2979 -1.668 10.902 2.696 1.00 0.00 C ATOM 387 C ASP A2979 -1.556 12.093 1.727 1.00 0.00 C ATOM 388 O ASP A2979 -2.184 13.142 1.956 1.00 0.00 O ATOM 389 CB ASP A2979 -0.333 10.712 3.480 1.00 0.00 C ATOM 390 CG ASP A2979 -0.367 9.581 4.529 1.00 0.00 C ATOM 391 OD1 ASP A2979 -0.619 8.416 4.156 1.00 0.00 O ATOM 392 OD2 ASP A2979 -0.139 9.846 5.726 1.00 0.00 O ATOM 0 H ASP A2979 -1.347 8.907 2.198 1.00 0.00 H new ATOM 0 HA ASP A2979 -2.474 11.124 3.396 1.00 0.00 H new ATOM 0 HB2 ASP A2979 0.467 10.507 2.768 1.00 0.00 H new ATOM 0 HB3 ASP A2979 -0.083 11.648 3.980 1.00 0.00 H new ATOM 397 N ILE A2980 -0.778 11.928 0.623 1.00 0.00 N ATOM 398 CA ILE A2980 -0.584 13.022 -0.357 1.00 0.00 C ATOM 399 C ILE A2980 -1.897 13.271 -1.134 1.00 0.00 C ATOM 400 O ILE A2980 -2.204 14.400 -1.474 1.00 0.00 O ATOM 401 CB ILE A2980 0.672 12.833 -1.336 1.00 0.00 C ATOM 402 CG1 ILE A2980 0.326 12.240 -2.757 1.00 0.00 C ATOM 403 CG2 ILE A2980 1.787 11.998 -0.659 1.00 0.00 C ATOM 404 CD1 ILE A2980 -0.241 10.822 -2.781 1.00 0.00 C ATOM 0 H ILE A2980 -0.285 11.064 0.396 1.00 0.00 H new ATOM 0 HA ILE A2980 -0.332 13.911 0.221 1.00 0.00 H new ATOM 0 HB ILE A2980 1.031 13.845 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A2980 -0.392 12.903 -3.238 1.00 0.00 H new ATOM 0 HG13 ILE A2980 1.231 12.256 -3.364 1.00 0.00 H new ATOM 0 HG21 ILE A2980 2.626 11.886 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE A2980 2.124 12.506 0.245 1.00 0.00 H new ATOM 0 HG23 ILE A2980 1.397 11.014 -0.399 1.00 0.00 H new ATOM 0 HD11 ILE A2980 -0.438 10.526 -3.811 1.00 0.00 H new ATOM 0 HD12 ILE A2980 0.480 10.134 -2.338 1.00 0.00 H new ATOM 0 HD13 ILE A2980 -1.169 10.792 -2.211 1.00 0.00 H new ATOM 416 N ARG A2981 -2.676 12.188 -1.339 1.00 0.00 N ATOM 417 CA ARG A2981 -3.944 12.198 -2.091 1.00 0.00 C ATOM 418 C ARG A2981 -4.942 13.196 -1.481 1.00 0.00 C ATOM 419 O ARG A2981 -5.450 14.089 -2.183 1.00 0.00 O ATOM 420 CB ARG A2981 -4.493 10.733 -2.133 1.00 0.00 C ATOM 421 CG ARG A2981 -5.973 10.530 -2.542 1.00 0.00 C ATOM 422 CD ARG A2981 -6.319 11.056 -3.940 1.00 0.00 C ATOM 423 NE ARG A2981 -7.645 10.597 -4.394 1.00 0.00 N ATOM 424 CZ ARG A2981 -8.358 11.145 -5.388 1.00 0.00 C ATOM 425 NH1 ARG A2981 -7.952 12.261 -5.991 1.00 0.00 N ATOM 426 NH2 ARG A2981 -9.491 10.579 -5.772 1.00 0.00 N ATOM 0 H ARG A2981 -2.434 11.265 -0.978 1.00 0.00 H new ATOM 0 HA ARG A2981 -3.782 12.539 -3.113 1.00 0.00 H new ATOM 0 HB2 ARG A2981 -3.873 10.162 -2.824 1.00 0.00 H new ATOM 0 HB3 ARG A2981 -4.355 10.295 -1.145 1.00 0.00 H new ATOM 0 HG2 ARG A2981 -6.207 9.466 -2.499 1.00 0.00 H new ATOM 0 HG3 ARG A2981 -6.611 11.027 -1.811 1.00 0.00 H new ATOM 0 HD2 ARG A2981 -6.296 12.146 -3.932 1.00 0.00 H new ATOM 0 HD3 ARG A2981 -5.560 10.726 -4.649 1.00 0.00 H new ATOM 0 HE ARG A2981 -8.053 9.796 -3.912 1.00 0.00 H new ATOM 0 HH11 ARG A2981 -7.086 12.713 -5.698 1.00 0.00 H new ATOM 0 HH12 ARG A2981 -8.507 12.664 -6.746 1.00 0.00 H new ATOM 0 HH21 ARG A2981 -9.818 9.729 -5.312 1.00 0.00 H new ATOM 0 HH22 ARG A2981 -10.037 10.992 -6.528 1.00 0.00 H new ATOM 440 N ARG A2982 -5.162 13.066 -0.170 1.00 0.00 N ATOM 441 CA ARG A2982 -6.127 13.898 0.571 1.00 0.00 C ATOM 442 C ARG A2982 -5.613 15.352 0.739 1.00 0.00 C ATOM 443 O ARG A2982 -6.381 16.312 0.526 1.00 0.00 O ATOM 444 CB ARG A2982 -6.460 13.220 1.935 1.00 0.00 C ATOM 445 CG ARG A2982 -5.234 12.933 2.839 1.00 0.00 C ATOM 446 CD ARG A2982 -5.575 12.129 4.106 1.00 0.00 C ATOM 447 NE ARG A2982 -6.462 12.872 5.021 1.00 0.00 N ATOM 448 CZ ARG A2982 -7.098 12.345 6.085 1.00 0.00 C ATOM 449 NH1 ARG A2982 -7.001 11.050 6.372 1.00 0.00 N ATOM 450 NH2 ARG A2982 -7.822 13.127 6.866 1.00 0.00 N ATOM 0 H ARG A2982 -4.678 12.382 0.412 1.00 0.00 H new ATOM 0 HA ARG A2982 -7.050 13.972 -0.003 1.00 0.00 H new ATOM 0 HB2 ARG A2982 -7.154 13.859 2.481 1.00 0.00 H new ATOM 0 HB3 ARG A2982 -6.977 12.280 1.740 1.00 0.00 H new ATOM 0 HG2 ARG A2982 -4.488 12.386 2.262 1.00 0.00 H new ATOM 0 HG3 ARG A2982 -4.780 13.880 3.131 1.00 0.00 H new ATOM 0 HD2 ARG A2982 -6.054 11.192 3.821 1.00 0.00 H new ATOM 0 HD3 ARG A2982 -4.654 11.870 4.628 1.00 0.00 H new ATOM 0 HE ARG A2982 -6.605 13.864 4.833 1.00 0.00 H new ATOM 0 HH11 ARG A2982 -6.438 10.438 5.782 1.00 0.00 H new ATOM 0 HH12 ARG A2982 -7.490 10.669 7.182 1.00 0.00 H new ATOM 0 HH21 ARG A2982 -7.897 14.124 6.662 1.00 0.00 H new ATOM 0 HH22 ARG A2982 -8.306 12.734 7.673 1.00 0.00 H new ATOM 464 N GLU A2983 -4.303 15.517 1.058 1.00 0.00 N ATOM 465 CA GLU A2983 -3.726 16.846 1.361 1.00 0.00 C ATOM 466 C GLU A2983 -3.609 17.724 0.098 1.00 0.00 C ATOM 467 O GLU A2983 -3.895 18.916 0.162 1.00 0.00 O ATOM 468 CB GLU A2983 -2.354 16.732 2.082 1.00 0.00 C ATOM 469 CG GLU A2983 -1.218 16.157 1.227 1.00 0.00 C ATOM 470 CD GLU A2983 0.124 16.047 1.959 1.00 0.00 C ATOM 471 OE1 GLU A2983 0.293 15.113 2.771 1.00 0.00 O ATOM 472 OE2 GLU A2983 1.019 16.885 1.722 1.00 0.00 O ATOM 0 H GLU A2983 -3.633 14.750 1.111 1.00 0.00 H new ATOM 0 HA GLU A2983 -4.420 17.336 2.044 1.00 0.00 H new ATOM 0 HB2 GLU A2983 -2.061 17.722 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A2983 -2.476 16.106 2.966 1.00 0.00 H new ATOM 0 HG2 GLU A2983 -1.509 15.168 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A2983 -1.088 16.785 0.345 1.00 0.00 H new ATOM 479 N VAL A2984 -3.207 17.136 -1.059 1.00 0.00 N ATOM 480 CA VAL A2984 -3.079 17.902 -2.319 1.00 0.00 C ATOM 481 C VAL A2984 -4.466 18.231 -2.882 1.00 0.00 C ATOM 482 O VAL A2984 -4.652 19.287 -3.458 1.00 0.00 O ATOM 483 CB VAL A2984 -2.193 17.194 -3.429 1.00 0.00 C ATOM 484 CG1 VAL A2984 -0.781 16.856 -2.891 1.00 0.00 C ATOM 485 CG2 VAL A2984 -2.891 15.950 -4.046 1.00 0.00 C ATOM 0 H VAL A2984 -2.970 16.147 -1.142 1.00 0.00 H new ATOM 0 HA VAL A2984 -2.550 18.818 -2.056 1.00 0.00 H new ATOM 0 HB VAL A2984 -2.074 17.910 -4.242 1.00 0.00 H new ATOM 0 HG11 VAL A2984 -0.199 16.372 -3.675 1.00 0.00 H new ATOM 0 HG12 VAL A2984 -0.280 17.773 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A2984 -0.868 16.184 -2.037 1.00 0.00 H new ATOM 0 HG21 VAL A2984 -2.241 15.504 -4.799 1.00 0.00 H new ATOM 0 HG22 VAL A2984 -3.092 15.220 -3.262 1.00 0.00 H new ATOM 0 HG23 VAL A2984 -3.830 16.252 -4.510 1.00 0.00 H new ATOM 495 N LEU A2985 -5.444 17.327 -2.679 1.00 0.00 N ATOM 496 CA LEU A2985 -6.824 17.523 -3.159 1.00 0.00 C ATOM 497 C LEU A2985 -7.420 18.837 -2.592 1.00 0.00 C ATOM 498 O LEU A2985 -7.942 19.681 -3.339 1.00 0.00 O ATOM 499 CB LEU A2985 -7.692 16.316 -2.754 1.00 0.00 C ATOM 500 CG LEU A2985 -9.138 16.249 -3.354 1.00 0.00 C ATOM 501 CD1 LEU A2985 -9.105 16.134 -4.897 1.00 0.00 C ATOM 502 CD2 LEU A2985 -9.950 15.091 -2.724 1.00 0.00 C ATOM 0 H LEU A2985 -5.301 16.448 -2.182 1.00 0.00 H new ATOM 0 HA LEU A2985 -6.811 17.601 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A2985 -7.163 15.407 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A2985 -7.775 16.307 -1.667 1.00 0.00 H new ATOM 0 HG LEU A2985 -9.641 17.183 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A2985 -10.124 16.090 -5.280 1.00 0.00 H new ATOM 0 HD12 LEU A2985 -8.597 17.003 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A2985 -8.570 15.228 -5.183 1.00 0.00 H new ATOM 0 HD21 LEU A2985 -10.949 15.068 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A2985 -9.447 14.144 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A2985 -10.026 15.244 -1.647 1.00 0.00 H new ATOM 514 N GLN A2986 -7.264 19.014 -1.268 1.00 0.00 N ATOM 515 CA GLN A2986 -7.795 20.187 -0.551 1.00 0.00 C ATOM 516 C GLN A2986 -6.900 21.441 -0.742 1.00 0.00 C ATOM 517 O GLN A2986 -7.403 22.510 -1.093 1.00 0.00 O ATOM 518 CB GLN A2986 -7.988 19.845 0.951 1.00 0.00 C ATOM 519 CG GLN A2986 -6.704 19.449 1.710 1.00 0.00 C ATOM 520 CD GLN A2986 -6.925 18.998 3.151 1.00 0.00 C ATOM 521 OE1 GLN A2986 -6.097 19.244 4.024 1.00 0.00 O ATOM 522 NE2 GLN A2986 -8.007 18.285 3.410 1.00 0.00 N ATOM 0 H GLN A2986 -6.770 18.353 -0.668 1.00 0.00 H new ATOM 0 HA GLN A2986 -8.766 20.436 -0.979 1.00 0.00 H new ATOM 0 HB2 GLN A2986 -8.432 20.707 1.448 1.00 0.00 H new ATOM 0 HB3 GLN A2986 -8.704 19.027 1.031 1.00 0.00 H new ATOM 0 HG2 GLN A2986 -6.210 18.645 1.164 1.00 0.00 H new ATOM 0 HG3 GLN A2986 -6.022 20.300 1.711 1.00 0.00 H new ATOM 0 HE21 GLN A2986 -8.681 18.093 2.669 1.00 0.00 H new ATOM 0 HE22 GLN A2986 -8.168 17.926 4.351 1.00 0.00 H new ATOM 531 N ASN A2987 -5.571 21.296 -0.552 1.00 0.00 N ATOM 532 CA ASN A2987 -4.628 22.446 -0.503 1.00 0.00 C ATOM 533 C ASN A2987 -4.334 23.020 -1.900 1.00 0.00 C ATOM 534 O ASN A2987 -3.989 24.194 -2.025 1.00 0.00 O ATOM 535 CB ASN A2987 -3.305 22.047 0.201 1.00 0.00 C ATOM 536 CG ASN A2987 -3.486 21.658 1.676 1.00 0.00 C ATOM 537 OD1 ASN A2987 -4.343 22.191 2.384 1.00 0.00 O ATOM 538 ND2 ASN A2987 -2.691 20.710 2.153 1.00 0.00 N ATOM 0 H ASN A2987 -5.120 20.390 -0.429 1.00 0.00 H new ATOM 0 HA ASN A2987 -5.117 23.229 0.077 1.00 0.00 H new ATOM 0 HB2 ASN A2987 -2.856 21.210 -0.334 1.00 0.00 H new ATOM 0 HB3 ASN A2987 -2.604 22.879 0.137 1.00 0.00 H new ATOM 0 HD21 ASN A2987 -2.782 20.409 3.123 1.00 0.00 H new ATOM 0 HD22 ASN A2987 -1.989 20.282 1.550 1.00 0.00 H new ATOM 545 N GLN A2988 -4.428 22.183 -2.943 1.00 0.00 N ATOM 546 CA GLN A2988 -4.198 22.620 -4.338 1.00 0.00 C ATOM 547 C GLN A2988 -5.509 23.070 -4.992 1.00 0.00 C ATOM 548 O GLN A2988 -5.560 24.137 -5.616 1.00 0.00 O ATOM 549 CB GLN A2988 -3.533 21.480 -5.169 1.00 0.00 C ATOM 550 CG GLN A2988 -2.107 21.112 -4.728 1.00 0.00 C ATOM 551 CD GLN A2988 -1.129 22.272 -4.881 1.00 0.00 C ATOM 552 OE1 GLN A2988 -0.472 22.422 -5.914 1.00 0.00 O ATOM 553 NE2 GLN A2988 -1.048 23.126 -3.877 1.00 0.00 N ATOM 0 H GLN A2988 -4.662 21.195 -2.852 1.00 0.00 H new ATOM 0 HA GLN A2988 -3.518 23.472 -4.318 1.00 0.00 H new ATOM 0 HB2 GLN A2988 -4.159 20.590 -5.106 1.00 0.00 H new ATOM 0 HB3 GLN A2988 -3.509 21.779 -6.217 1.00 0.00 H new ATOM 0 HG2 GLN A2988 -2.124 20.791 -3.687 1.00 0.00 H new ATOM 0 HG3 GLN A2988 -1.756 20.265 -5.317 1.00 0.00 H new ATOM 0 HE21 GLN A2988 -1.603 22.977 -3.034 1.00 0.00 H new ATOM 0 HE22 GLN A2988 -0.430 23.935 -3.944 1.00 0.00 H new ATOM 562 N LEU A2989 -6.573 22.253 -4.854 1.00 0.00 N ATOM 563 CA LEU A2989 -7.826 22.460 -5.612 1.00 0.00 C ATOM 564 C LEU A2989 -8.924 23.034 -4.713 1.00 0.00 C ATOM 565 O LEU A2989 -9.621 23.966 -5.110 1.00 0.00 O ATOM 566 CB LEU A2989 -8.306 21.145 -6.289 1.00 0.00 C ATOM 567 CG LEU A2989 -7.258 20.380 -7.177 1.00 0.00 C ATOM 568 CD1 LEU A2989 -6.451 21.325 -8.101 1.00 0.00 C ATOM 569 CD2 LEU A2989 -6.330 19.474 -6.328 1.00 0.00 C ATOM 0 H LEU A2989 -6.591 21.448 -4.228 1.00 0.00 H new ATOM 0 HA LEU A2989 -7.614 23.184 -6.399 1.00 0.00 H new ATOM 0 HB2 LEU A2989 -8.649 20.466 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU A2989 -9.171 21.379 -6.910 1.00 0.00 H new ATOM 0 HG LEU A2989 -7.835 19.728 -7.833 1.00 0.00 H new ATOM 0 HD11 LEU A2989 -5.744 20.741 -8.690 1.00 0.00 H new ATOM 0 HD12 LEU A2989 -7.133 21.850 -8.770 1.00 0.00 H new ATOM 0 HD13 LEU A2989 -5.907 22.050 -7.495 1.00 0.00 H new ATOM 0 HD21 LEU A2989 -5.622 18.964 -6.981 1.00 0.00 H new ATOM 0 HD22 LEU A2989 -5.785 20.084 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU A2989 -6.930 18.735 -5.797 1.00 0.00 H new ATOM 581 N GLY A2990 -9.069 22.463 -3.504 1.00 0.00 N ATOM 582 CA GLY A2990 -10.146 22.838 -2.582 1.00 0.00 C ATOM 583 C GLY A2990 -11.482 22.193 -2.911 1.00 0.00 C ATOM 584 O GLY A2990 -12.493 22.505 -2.269 1.00 0.00 O ATOM 0 H GLY A2990 -8.449 21.737 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A2990 -9.858 22.560 -1.568 1.00 0.00 H new ATOM 0 HA3 GLY A2990 -10.263 23.922 -2.595 1.00 0.00 H new ATOM 588 N ILE A2991 -11.486 21.282 -3.901 1.00 0.00 N ATOM 589 CA ILE A2991 -12.686 20.549 -4.312 1.00 0.00 C ATOM 590 C ILE A2991 -12.950 19.434 -3.267 1.00 0.00 C ATOM 591 O ILE A2991 -12.127 18.536 -3.067 1.00 0.00 O ATOM 592 CB ILE A2991 -12.536 20.015 -5.811 1.00 0.00 C ATOM 593 CG1 ILE A2991 -13.896 19.472 -6.420 1.00 0.00 C ATOM 594 CG2 ILE A2991 -11.391 18.974 -5.978 1.00 0.00 C ATOM 595 CD1 ILE A2991 -14.362 18.086 -5.963 1.00 0.00 C ATOM 0 H ILE A2991 -10.653 21.037 -4.436 1.00 0.00 H new ATOM 0 HA ILE A2991 -13.560 21.200 -4.331 1.00 0.00 H new ATOM 0 HB ILE A2991 -12.256 20.894 -6.391 1.00 0.00 H new ATOM 0 HG12 ILE A2991 -14.683 20.188 -6.183 1.00 0.00 H new ATOM 0 HG13 ILE A2991 -13.797 19.455 -7.505 1.00 0.00 H new ATOM 0 HG21 ILE A2991 -11.342 18.651 -7.018 1.00 0.00 H new ATOM 0 HG22 ILE A2991 -10.442 19.428 -5.694 1.00 0.00 H new ATOM 0 HG23 ILE A2991 -11.587 18.112 -5.340 1.00 0.00 H new ATOM 0 HD11 ILE A2991 -15.303 17.838 -6.455 1.00 0.00 H new ATOM 0 HD12 ILE A2991 -13.608 17.344 -6.226 1.00 0.00 H new ATOM 0 HD13 ILE A2991 -14.507 18.089 -4.883 1.00 0.00 H new ATOM 607 N ARG A2992 -14.084 19.554 -2.552 1.00 0.00 N ATOM 608 CA ARG A2992 -14.422 18.670 -1.432 1.00 0.00 C ATOM 609 C ARG A2992 -15.141 17.399 -1.952 1.00 0.00 C ATOM 610 O ARG A2992 -16.117 17.515 -2.709 1.00 0.00 O ATOM 611 CB ARG A2992 -15.278 19.428 -0.367 1.00 0.00 C ATOM 612 CG ARG A2992 -16.620 20.024 -0.866 1.00 0.00 C ATOM 613 CD ARG A2992 -17.349 20.850 0.215 1.00 0.00 C ATOM 614 NE ARG A2992 -18.447 21.661 -0.357 1.00 0.00 N ATOM 615 CZ ARG A2992 -18.739 22.929 -0.010 1.00 0.00 C ATOM 616 NH1 ARG A2992 -18.044 23.554 0.927 1.00 0.00 N ATOM 617 NH2 ARG A2992 -19.728 23.574 -0.605 1.00 0.00 N ATOM 0 H ARG A2992 -14.788 20.268 -2.738 1.00 0.00 H new ATOM 0 HA ARG A2992 -13.502 18.354 -0.940 1.00 0.00 H new ATOM 0 HB2 ARG A2992 -15.491 18.742 0.453 1.00 0.00 H new ATOM 0 HB3 ARG A2992 -14.675 20.238 0.044 1.00 0.00 H new ATOM 0 HG2 ARG A2992 -16.431 20.657 -1.733 1.00 0.00 H new ATOM 0 HG3 ARG A2992 -17.270 19.215 -1.198 1.00 0.00 H new ATOM 0 HD2 ARG A2992 -17.751 20.180 0.975 1.00 0.00 H new ATOM 0 HD3 ARG A2992 -16.635 21.506 0.714 1.00 0.00 H new ATOM 0 HE ARG A2992 -19.029 21.224 -1.072 1.00 0.00 H new ATOM 0 HH11 ARG A2992 -17.276 23.075 1.397 1.00 0.00 H new ATOM 0 HH12 ARG A2992 -18.277 24.515 1.179 1.00 0.00 H new ATOM 0 HH21 ARG A2992 -20.275 23.111 -1.331 1.00 0.00 H new ATOM 0 HH22 ARG A2992 -19.944 24.534 -0.338 1.00 0.00 H new