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 X(o=0,f=-0.066) USER MOD Single : A2987 ASN : amide:sc= -0.0546 K(o=-0.055,f=-1.8!) USER MOD Single : A2988 GLN : amide:sc= -0.487 X(o=-0.49,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ASP A2957 -7.789 6.508 -12.086 1.00 0.00 N ATOM 82 CA ASP A2957 -7.614 7.463 -13.193 1.00 0.00 C ATOM 83 C ASP A2957 -8.762 8.489 -13.188 1.00 0.00 C ATOM 84 O ASP A2957 -9.901 8.106 -12.933 1.00 0.00 O ATOM 85 CB ASP A2957 -7.579 6.704 -14.550 1.00 0.00 C ATOM 86 CG ASP A2957 -6.512 5.595 -14.582 1.00 0.00 C ATOM 87 OD1 ASP A2957 -5.306 5.920 -14.568 1.00 0.00 O ATOM 88 OD2 ASP A2957 -6.879 4.396 -14.618 1.00 0.00 O ATOM 0 HA ASP A2957 -6.669 7.991 -13.061 1.00 0.00 H new ATOM 0 HB2 ASP A2957 -8.558 6.266 -14.742 1.00 0.00 H new ATOM 0 HB3 ASP A2957 -7.384 7.414 -15.354 1.00 0.00 H new ATOM 93 N PRO A2958 -8.505 9.799 -13.528 1.00 0.00 N ATOM 94 CA PRO A2958 -9.538 10.867 -13.480 1.00 0.00 C ATOM 95 C PRO A2958 -10.507 10.845 -14.692 1.00 0.00 C ATOM 96 O PRO A2958 -11.146 11.857 -15.002 1.00 0.00 O ATOM 97 CB PRO A2958 -8.672 12.152 -13.426 1.00 0.00 C ATOM 98 CG PRO A2958 -7.469 11.816 -14.251 1.00 0.00 C ATOM 99 CD PRO A2958 -7.199 10.342 -13.990 1.00 0.00 C ATOM 0 HA PRO A2958 -10.220 10.763 -12.636 1.00 0.00 H new ATOM 0 HB2 PRO A2958 -9.207 13.011 -13.832 1.00 0.00 H new ATOM 0 HB3 PRO A2958 -8.396 12.404 -12.402 1.00 0.00 H new ATOM 0 HG2 PRO A2958 -7.654 12.000 -15.309 1.00 0.00 H new ATOM 0 HG3 PRO A2958 -6.614 12.429 -13.966 1.00 0.00 H new ATOM 0 HD2 PRO A2958 -6.856 9.836 -14.892 1.00 0.00 H new ATOM 0 HD3 PRO A2958 -6.424 10.208 -13.235 1.00 0.00 H new ATOM 107 N LEU A2959 -10.628 9.676 -15.350 1.00 0.00 N ATOM 108 CA LEU A2959 -11.623 9.426 -16.408 1.00 0.00 C ATOM 109 C LEU A2959 -12.290 8.036 -16.165 1.00 0.00 C ATOM 110 O LEU A2959 -13.132 7.589 -16.952 1.00 0.00 O ATOM 111 CB LEU A2959 -10.922 9.531 -17.817 1.00 0.00 C ATOM 112 CG LEU A2959 -11.735 10.202 -18.988 1.00 0.00 C ATOM 113 CD1 LEU A2959 -12.872 9.304 -19.530 1.00 0.00 C ATOM 114 CD2 LEU A2959 -12.279 11.583 -18.550 1.00 0.00 C ATOM 0 H LEU A2959 -10.031 8.871 -15.159 1.00 0.00 H new ATOM 0 HA LEU A2959 -12.415 10.175 -16.385 1.00 0.00 H new ATOM 0 HB2 LEU A2959 -9.994 10.088 -17.690 1.00 0.00 H new ATOM 0 HB3 LEU A2959 -10.648 8.524 -18.132 1.00 0.00 H new ATOM 0 HG LEU A2959 -11.038 10.341 -19.814 1.00 0.00 H new ATOM 0 HD11 LEU A2959 -13.394 9.823 -20.334 1.00 0.00 H new ATOM 0 HD12 LEU A2959 -12.451 8.374 -19.912 1.00 0.00 H new ATOM 0 HD13 LEU A2959 -13.574 9.081 -18.727 1.00 0.00 H new ATOM 0 HD21 LEU A2959 -12.838 12.031 -19.372 1.00 0.00 H new ATOM 0 HD22 LEU A2959 -12.936 11.459 -17.689 1.00 0.00 H new ATOM 0 HD23 LEU A2959 -11.447 12.233 -18.280 1.00 0.00 H new ATOM 126 N ALA A2960 -11.921 7.380 -15.038 1.00 0.00 N ATOM 127 CA ALA A2960 -12.396 6.020 -14.690 1.00 0.00 C ATOM 128 C ALA A2960 -13.876 6.003 -14.248 1.00 0.00 C ATOM 129 O ALA A2960 -14.545 4.963 -14.338 1.00 0.00 O ATOM 130 CB ALA A2960 -11.497 5.405 -13.594 1.00 0.00 C ATOM 0 H ALA A2960 -11.287 7.779 -14.346 1.00 0.00 H new ATOM 0 HA ALA A2960 -12.330 5.415 -15.594 1.00 0.00 H new ATOM 0 HB1 ALA A2960 -11.856 4.406 -13.347 1.00 0.00 H new ATOM 0 HB2 ALA A2960 -10.471 5.342 -13.958 1.00 0.00 H new ATOM 0 HB3 ALA A2960 -11.528 6.032 -12.703 1.00 0.00 H new ATOM 136 N GLY A2961 -14.381 7.166 -13.795 1.00 0.00 N ATOM 137 CA GLY A2961 -15.763 7.301 -13.289 1.00 0.00 C ATOM 138 C GLY A2961 -15.808 7.732 -11.832 1.00 0.00 C ATOM 139 O GLY A2961 -16.829 8.258 -11.354 1.00 0.00 O ATOM 0 H GLY A2961 -13.847 8.035 -13.769 1.00 0.00 H new ATOM 0 HA2 GLY A2961 -16.300 8.029 -13.897 1.00 0.00 H new ATOM 0 HA3 GLY A2961 -16.282 6.349 -13.399 1.00 0.00 H new ATOM 143 N ILE A2962 -14.685 7.505 -11.137 1.00 0.00 N ATOM 144 CA ILE A2962 -14.494 7.864 -9.719 1.00 0.00 C ATOM 145 C ILE A2962 -14.330 9.393 -9.515 1.00 0.00 C ATOM 146 O ILE A2962 -14.280 10.161 -10.486 1.00 0.00 O ATOM 147 CB ILE A2962 -13.276 7.055 -9.107 1.00 0.00 C ATOM 148 CG1 ILE A2962 -12.004 7.049 -10.036 1.00 0.00 C ATOM 149 CG2 ILE A2962 -13.698 5.604 -8.778 1.00 0.00 C ATOM 150 CD1 ILE A2962 -11.297 8.378 -10.206 1.00 0.00 C ATOM 0 H ILE A2962 -13.866 7.058 -11.550 1.00 0.00 H new ATOM 0 HA ILE A2962 -15.399 7.582 -9.180 1.00 0.00 H new ATOM 0 HB ILE A2962 -12.995 7.574 -8.190 1.00 0.00 H new ATOM 0 HG12 ILE A2962 -11.290 6.329 -9.636 1.00 0.00 H new ATOM 0 HG13 ILE A2962 -12.300 6.689 -11.021 1.00 0.00 H new ATOM 0 HG21 ILE A2962 -12.849 5.064 -8.359 1.00 0.00 H new ATOM 0 HG22 ILE A2962 -14.513 5.617 -8.054 1.00 0.00 H new ATOM 0 HG23 ILE A2962 -14.030 5.106 -9.689 1.00 0.00 H new ATOM 0 HD11 ILE A2962 -10.438 8.252 -10.865 1.00 0.00 H new ATOM 0 HD12 ILE A2962 -11.985 9.103 -10.641 1.00 0.00 H new ATOM 0 HD13 ILE A2962 -10.959 8.737 -9.234 1.00 0.00 H new ATOM 162 N SER A2963 -14.219 9.831 -8.242 1.00 0.00 N ATOM 163 CA SER A2963 -14.130 11.266 -7.909 1.00 0.00 C ATOM 164 C SER A2963 -12.657 11.748 -7.856 1.00 0.00 C ATOM 165 O SER A2963 -12.067 11.888 -6.775 1.00 0.00 O ATOM 166 CB SER A2963 -14.859 11.544 -6.571 1.00 0.00 C ATOM 167 OG SER A2963 -16.192 11.054 -6.595 1.00 0.00 O ATOM 0 H SER A2963 -14.189 9.212 -7.432 1.00 0.00 H new ATOM 0 HA SER A2963 -14.622 11.833 -8.699 1.00 0.00 H new ATOM 0 HB2 SER A2963 -14.312 11.075 -5.753 1.00 0.00 H new ATOM 0 HB3 SER A2963 -14.867 12.616 -6.376 1.00 0.00 H new ATOM 0 HG SER A2963 -16.625 11.243 -5.737 1.00 0.00 H new ATOM 173 N LEU A2964 -12.060 11.941 -9.049 1.00 0.00 N ATOM 174 CA LEU A2964 -10.789 12.680 -9.240 1.00 0.00 C ATOM 175 C LEU A2964 -11.063 13.855 -10.220 1.00 0.00 C ATOM 176 O LEU A2964 -11.405 13.605 -11.383 1.00 0.00 O ATOM 177 CB LEU A2964 -9.623 11.765 -9.762 1.00 0.00 C ATOM 178 CG LEU A2964 -8.631 11.192 -8.682 1.00 0.00 C ATOM 179 CD1 LEU A2964 -7.991 12.324 -7.847 1.00 0.00 C ATOM 180 CD2 LEU A2964 -9.303 10.149 -7.768 1.00 0.00 C ATOM 0 H LEU A2964 -12.450 11.584 -9.921 1.00 0.00 H new ATOM 0 HA LEU A2964 -10.451 13.056 -8.274 1.00 0.00 H new ATOM 0 HB2 LEU A2964 -10.065 10.924 -10.297 1.00 0.00 H new ATOM 0 HB3 LEU A2964 -9.043 12.335 -10.487 1.00 0.00 H new ATOM 0 HG LEU A2964 -7.837 10.681 -9.227 1.00 0.00 H new ATOM 0 HD11 LEU A2964 -7.312 11.894 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A2964 -7.436 12.993 -8.505 1.00 0.00 H new ATOM 0 HD13 LEU A2964 -8.773 12.885 -7.335 1.00 0.00 H new ATOM 0 HD21 LEU A2964 -8.579 9.783 -7.040 1.00 0.00 H new ATOM 0 HD22 LEU A2964 -10.142 10.609 -7.246 1.00 0.00 H new ATOM 0 HD23 LEU A2964 -9.664 9.316 -8.371 1.00 0.00 H new ATOM 192 N PRO A2965 -10.951 15.145 -9.751 1.00 0.00 N ATOM 193 CA PRO A2965 -11.119 16.355 -10.610 1.00 0.00 C ATOM 194 C PRO A2965 -9.961 16.545 -11.628 1.00 0.00 C ATOM 195 O PRO A2965 -9.118 15.661 -11.824 1.00 0.00 O ATOM 196 CB PRO A2965 -11.147 17.518 -9.571 1.00 0.00 C ATOM 197 CG PRO A2965 -10.348 16.989 -8.424 1.00 0.00 C ATOM 198 CD PRO A2965 -10.688 15.523 -8.343 1.00 0.00 C ATOM 0 HA PRO A2965 -12.012 16.294 -11.233 1.00 0.00 H new ATOM 0 HB2 PRO A2965 -10.708 18.429 -9.978 1.00 0.00 H new ATOM 0 HB3 PRO A2965 -12.166 17.762 -9.270 1.00 0.00 H new ATOM 0 HG2 PRO A2965 -9.280 17.136 -8.588 1.00 0.00 H new ATOM 0 HG3 PRO A2965 -10.603 17.503 -7.497 1.00 0.00 H new ATOM 0 HD2 PRO A2965 -9.867 14.944 -7.920 1.00 0.00 H new ATOM 0 HD3 PRO A2965 -11.559 15.348 -7.712 1.00 0.00 H new ATOM 206 N GLU A2966 -9.971 17.708 -12.294 1.00 0.00 N ATOM 207 CA GLU A2966 -8.901 18.145 -13.211 1.00 0.00 C ATOM 208 C GLU A2966 -7.750 18.782 -12.405 1.00 0.00 C ATOM 209 O GLU A2966 -8.004 19.460 -11.410 1.00 0.00 O ATOM 210 CB GLU A2966 -9.485 19.161 -14.229 1.00 0.00 C ATOM 211 CG GLU A2966 -8.465 19.725 -15.247 1.00 0.00 C ATOM 212 CD GLU A2966 -9.000 20.931 -16.038 1.00 0.00 C ATOM 213 OE1 GLU A2966 -9.130 22.018 -15.438 1.00 0.00 O ATOM 214 OE2 GLU A2966 -9.301 20.804 -17.242 1.00 0.00 O ATOM 0 H GLU A2966 -10.731 18.383 -12.212 1.00 0.00 H new ATOM 0 HA GLU A2966 -8.505 17.287 -13.754 1.00 0.00 H new ATOM 0 HB2 GLU A2966 -10.294 18.679 -14.777 1.00 0.00 H new ATOM 0 HB3 GLU A2966 -9.924 19.993 -13.678 1.00 0.00 H new ATOM 0 HG2 GLU A2966 -7.559 20.019 -14.718 1.00 0.00 H new ATOM 0 HG3 GLU A2966 -8.185 18.936 -15.945 1.00 0.00 H new ATOM 221 N GLY A2967 -6.496 18.569 -12.849 1.00 0.00 N ATOM 222 CA GLY A2967 -5.317 19.174 -12.207 1.00 0.00 C ATOM 223 C GLY A2967 -4.711 18.295 -11.117 1.00 0.00 C ATOM 224 O GLY A2967 -3.991 18.787 -10.236 1.00 0.00 O ATOM 0 H GLY A2967 -6.275 17.980 -13.652 1.00 0.00 H new ATOM 0 HA2 GLY A2967 -4.561 19.375 -12.966 1.00 0.00 H new ATOM 0 HA3 GLY A2967 -5.599 20.135 -11.776 1.00 0.00 H new ATOM 228 N VAL A2968 -5.025 16.990 -11.172 1.00 0.00 N ATOM 229 CA VAL A2968 -4.473 15.973 -10.270 1.00 0.00 C ATOM 230 C VAL A2968 -4.202 14.665 -11.063 1.00 0.00 C ATOM 231 O VAL A2968 -5.140 13.974 -11.486 1.00 0.00 O ATOM 232 CB VAL A2968 -5.426 15.767 -9.025 1.00 0.00 C ATOM 233 CG1 VAL A2968 -6.894 15.502 -9.435 1.00 0.00 C ATOM 234 CG2 VAL A2968 -4.898 14.671 -8.078 1.00 0.00 C ATOM 0 H VAL A2968 -5.679 16.609 -11.856 1.00 0.00 H new ATOM 0 HA VAL A2968 -3.516 16.305 -9.868 1.00 0.00 H new ATOM 0 HB VAL A2968 -5.421 16.709 -8.476 1.00 0.00 H new ATOM 0 HG11 VAL A2968 -7.503 15.368 -8.541 1.00 0.00 H new ATOM 0 HG12 VAL A2968 -7.271 16.350 -10.007 1.00 0.00 H new ATOM 0 HG13 VAL A2968 -6.944 14.601 -10.046 1.00 0.00 H new ATOM 0 HG21 VAL A2968 -5.580 14.559 -7.235 1.00 0.00 H new ATOM 0 HG22 VAL A2968 -4.829 13.726 -8.617 1.00 0.00 H new ATOM 0 HG23 VAL A2968 -3.911 14.952 -7.711 1.00 0.00 H new ATOM 244 N ASP A2969 -2.905 14.374 -11.317 1.00 0.00 N ATOM 245 CA ASP A2969 -2.478 13.171 -12.080 1.00 0.00 C ATOM 246 C ASP A2969 -2.627 11.899 -11.231 1.00 0.00 C ATOM 247 O ASP A2969 -2.295 11.930 -10.042 1.00 0.00 O ATOM 248 CB ASP A2969 -0.994 13.287 -12.543 1.00 0.00 C ATOM 249 CG ASP A2969 -0.736 14.489 -13.461 1.00 0.00 C ATOM 250 OD1 ASP A2969 -0.464 15.593 -12.952 1.00 0.00 O ATOM 251 OD2 ASP A2969 -0.829 14.343 -14.697 1.00 0.00 O ATOM 0 H ASP A2969 -2.130 14.958 -11.004 1.00 0.00 H new ATOM 0 HA ASP A2969 -3.125 13.108 -12.955 1.00 0.00 H new ATOM 0 HB2 ASP A2969 -0.352 13.365 -11.666 1.00 0.00 H new ATOM 0 HB3 ASP A2969 -0.711 12.373 -13.065 1.00 0.00 H new ATOM 256 N PRO A2970 -3.080 10.745 -11.839 1.00 0.00 N ATOM 257 CA PRO A2970 -3.173 9.438 -11.133 1.00 0.00 C ATOM 258 C PRO A2970 -1.787 8.795 -10.897 1.00 0.00 C ATOM 259 O PRO A2970 -1.684 7.809 -10.162 1.00 0.00 O ATOM 260 CB PRO A2970 -4.035 8.577 -12.089 1.00 0.00 C ATOM 261 CG PRO A2970 -3.706 9.116 -13.449 1.00 0.00 C ATOM 262 CD PRO A2970 -3.529 10.615 -13.259 1.00 0.00 C ATOM 0 HA PRO A2970 -3.601 9.538 -10.135 1.00 0.00 H new ATOM 0 HB2 PRO A2970 -3.787 7.519 -12.007 1.00 0.00 H new ATOM 0 HB3 PRO A2970 -5.098 8.674 -11.866 1.00 0.00 H new ATOM 0 HG2 PRO A2970 -2.798 8.660 -13.843 1.00 0.00 H new ATOM 0 HG3 PRO A2970 -4.504 8.902 -14.160 1.00 0.00 H new ATOM 0 HD2 PRO A2970 -2.791 11.021 -13.951 1.00 0.00 H new ATOM 0 HD3 PRO A2970 -4.461 11.153 -13.435 1.00 0.00 H new ATOM 270 N SER A2971 -0.744 9.372 -11.534 1.00 0.00 N ATOM 271 CA SER A2971 0.651 8.931 -11.409 1.00 0.00 C ATOM 272 C SER A2971 1.110 8.992 -9.936 1.00 0.00 C ATOM 273 O SER A2971 1.453 7.967 -9.342 1.00 0.00 O ATOM 274 CB SER A2971 1.545 9.825 -12.303 1.00 0.00 C ATOM 275 OG SER A2971 1.059 9.858 -13.636 1.00 0.00 O ATOM 0 H SER A2971 -0.857 10.170 -12.159 1.00 0.00 H new ATOM 0 HA SER A2971 0.736 7.895 -11.738 1.00 0.00 H new ATOM 0 HB2 SER A2971 1.575 10.836 -11.898 1.00 0.00 H new ATOM 0 HB3 SER A2971 2.568 9.448 -12.294 1.00 0.00 H new ATOM 0 HG SER A2971 1.638 10.430 -14.181 1.00 0.00 H new ATOM 281 N PHE A2972 1.045 10.204 -9.341 1.00 0.00 N ATOM 282 CA PHE A2972 1.436 10.411 -7.932 1.00 0.00 C ATOM 283 C PHE A2972 0.312 9.965 -6.984 1.00 0.00 C ATOM 284 O PHE A2972 0.569 9.558 -5.855 1.00 0.00 O ATOM 285 CB PHE A2972 1.846 11.895 -7.664 1.00 0.00 C ATOM 286 CG PHE A2972 0.772 12.970 -7.912 1.00 0.00 C ATOM 287 CD1 PHE A2972 -0.232 13.235 -6.967 1.00 0.00 C ATOM 288 CD2 PHE A2972 0.781 13.741 -9.078 1.00 0.00 C ATOM 289 CE1 PHE A2972 -1.181 14.209 -7.190 1.00 0.00 C ATOM 290 CE2 PHE A2972 -0.171 14.715 -9.295 1.00 0.00 C ATOM 291 CZ PHE A2972 -1.149 14.953 -8.351 1.00 0.00 C ATOM 0 H PHE A2972 0.726 11.050 -9.814 1.00 0.00 H new ATOM 0 HA PHE A2972 2.311 9.792 -7.735 1.00 0.00 H new ATOM 0 HB2 PHE A2972 2.173 11.975 -6.627 1.00 0.00 H new ATOM 0 HB3 PHE A2972 2.709 12.127 -8.289 1.00 0.00 H new ATOM 0 HD1 PHE A2972 -0.261 12.666 -6.050 1.00 0.00 H new ATOM 0 HD2 PHE A2972 1.546 13.571 -9.821 1.00 0.00 H new ATOM 0 HE1 PHE A2972 -1.951 14.390 -6.455 1.00 0.00 H new ATOM 0 HE2 PHE A2972 -0.151 15.293 -10.207 1.00 0.00 H new ATOM 0 HZ PHE A2972 -1.889 15.721 -8.521 1.00 0.00 H new ATOM 301 N LEU A2973 -0.937 10.047 -7.476 1.00 0.00 N ATOM 302 CA LEU A2973 -2.148 9.785 -6.684 1.00 0.00 C ATOM 303 C LEU A2973 -2.198 8.298 -6.245 1.00 0.00 C ATOM 304 O LEU A2973 -2.601 7.993 -5.118 1.00 0.00 O ATOM 305 CB LEU A2973 -3.395 10.199 -7.535 1.00 0.00 C ATOM 306 CG LEU A2973 -4.676 10.681 -6.778 1.00 0.00 C ATOM 307 CD1 LEU A2973 -5.357 9.554 -5.990 1.00 0.00 C ATOM 308 CD2 LEU A2973 -4.355 11.885 -5.862 1.00 0.00 C ATOM 0 H LEU A2973 -1.134 10.300 -8.444 1.00 0.00 H new ATOM 0 HA LEU A2973 -2.142 10.376 -5.768 1.00 0.00 H new ATOM 0 HB2 LEU A2973 -3.087 10.997 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU A2973 -3.674 9.346 -8.154 1.00 0.00 H new ATOM 0 HG LEU A2973 -5.388 11.004 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A2973 -6.240 9.945 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU A2973 -5.653 8.759 -6.674 1.00 0.00 H new ATOM 0 HD13 LEU A2973 -4.662 9.156 -5.250 1.00 0.00 H new ATOM 0 HD21 LEU A2973 -5.262 12.202 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A2973 -3.603 11.594 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A2973 -3.973 12.709 -6.465 1.00 0.00 H new ATOM 320 N ALA A2974 -1.773 7.394 -7.147 1.00 0.00 N ATOM 321 CA ALA A2974 -1.781 5.940 -6.891 1.00 0.00 C ATOM 322 C ALA A2974 -0.429 5.459 -6.324 1.00 0.00 C ATOM 323 O ALA A2974 -0.409 4.591 -5.444 1.00 0.00 O ATOM 324 CB ALA A2974 -2.138 5.178 -8.178 1.00 0.00 C ATOM 0 H ALA A2974 -1.416 7.648 -8.068 1.00 0.00 H new ATOM 0 HA ALA A2974 -2.541 5.732 -6.138 1.00 0.00 H new ATOM 0 HB1 ALA A2974 -2.141 4.107 -7.978 1.00 0.00 H new ATOM 0 HB2 ALA A2974 -3.126 5.486 -8.521 1.00 0.00 H new ATOM 0 HB3 ALA A2974 -1.401 5.401 -8.949 1.00 0.00 H new ATOM 330 N ALA A2975 0.697 6.016 -6.834 1.00 0.00 N ATOM 331 CA ALA A2975 2.061 5.574 -6.435 1.00 0.00 C ATOM 332 C ALA A2975 2.393 5.964 -4.976 1.00 0.00 C ATOM 333 O ALA A2975 2.870 5.136 -4.195 1.00 0.00 O ATOM 334 CB ALA A2975 3.119 6.152 -7.386 1.00 0.00 C ATOM 0 H ALA A2975 0.690 6.770 -7.521 1.00 0.00 H new ATOM 0 HA ALA A2975 2.076 4.486 -6.501 1.00 0.00 H new ATOM 0 HB1 ALA A2975 4.109 5.817 -7.076 1.00 0.00 H new ATOM 0 HB2 ALA A2975 2.921 5.810 -8.402 1.00 0.00 H new ATOM 0 HB3 ALA A2975 3.079 7.241 -7.356 1.00 0.00 H new ATOM 340 N LEU A2976 2.145 7.240 -4.641 1.00 0.00 N ATOM 341 CA LEU A2976 2.391 7.804 -3.293 1.00 0.00 C ATOM 342 C LEU A2976 1.234 7.405 -2.326 1.00 0.00 C ATOM 343 O LEU A2976 0.136 7.085 -2.797 1.00 0.00 O ATOM 344 CB LEU A2976 2.546 9.348 -3.408 1.00 0.00 C ATOM 345 CG LEU A2976 3.737 9.867 -4.271 1.00 0.00 C ATOM 346 CD1 LEU A2976 3.683 11.401 -4.412 1.00 0.00 C ATOM 347 CD2 LEU A2976 5.099 9.417 -3.686 1.00 0.00 C ATOM 0 H LEU A2976 1.765 7.920 -5.300 1.00 0.00 H new ATOM 0 HA LEU A2976 3.313 7.398 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A2976 1.623 9.753 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU A2976 2.650 9.756 -2.403 1.00 0.00 H new ATOM 0 HG LEU A2976 3.642 9.427 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A2976 4.523 11.741 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A2976 2.749 11.689 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A2976 3.739 11.859 -3.425 1.00 0.00 H new ATOM 0 HD21 LEU A2976 5.907 9.796 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A2976 5.208 9.810 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A2976 5.141 8.328 -3.659 1.00 0.00 H new ATOM 359 N PRO A2977 1.464 7.385 -0.961 1.00 0.00 N ATOM 360 CA PRO A2977 0.432 6.957 0.039 1.00 0.00 C ATOM 361 C PRO A2977 -0.769 7.935 0.150 1.00 0.00 C ATOM 362 O PRO A2977 -0.848 8.929 -0.582 1.00 0.00 O ATOM 363 CB PRO A2977 1.240 6.864 1.360 1.00 0.00 C ATOM 364 CG PRO A2977 2.352 7.853 1.182 1.00 0.00 C ATOM 365 CD PRO A2977 2.741 7.759 -0.280 1.00 0.00 C ATOM 0 HA PRO A2977 -0.046 6.019 -0.242 1.00 0.00 H new ATOM 0 HB2 PRO A2977 0.622 7.111 2.223 1.00 0.00 H new ATOM 0 HB3 PRO A2977 1.625 5.857 1.521 1.00 0.00 H new ATOM 0 HG2 PRO A2977 2.026 8.861 1.438 1.00 0.00 H new ATOM 0 HG3 PRO A2977 3.196 7.616 1.830 1.00 0.00 H new ATOM 0 HD2 PRO A2977 3.131 8.706 -0.653 1.00 0.00 H new ATOM 0 HD3 PRO A2977 3.516 7.009 -0.441 1.00 0.00 H new ATOM 373 N ASP A2978 -1.717 7.622 1.054 1.00 0.00 N ATOM 374 CA ASP A2978 -3.004 8.352 1.136 1.00 0.00 C ATOM 375 C ASP A2978 -2.863 9.777 1.731 1.00 0.00 C ATOM 376 O ASP A2978 -3.661 10.647 1.400 1.00 0.00 O ATOM 377 CB ASP A2978 -4.089 7.548 1.901 1.00 0.00 C ATOM 378 CG ASP A2978 -3.785 7.307 3.389 1.00 0.00 C ATOM 379 OD1 ASP A2978 -4.045 8.201 4.221 1.00 0.00 O ATOM 380 OD2 ASP A2978 -3.289 6.218 3.742 1.00 0.00 O ATOM 0 H ASP A2978 -1.620 6.871 1.738 1.00 0.00 H new ATOM 0 HA ASP A2978 -3.332 8.467 0.103 1.00 0.00 H new ATOM 0 HB2 ASP A2978 -5.038 8.078 1.820 1.00 0.00 H new ATOM 0 HB3 ASP A2978 -4.219 6.583 1.411 1.00 0.00 H new ATOM 385 N ASP A2979 -1.844 9.996 2.583 1.00 0.00 N ATOM 386 CA ASP A2979 -1.688 11.242 3.376 1.00 0.00 C ATOM 387 C ASP A2979 -1.471 12.492 2.497 1.00 0.00 C ATOM 388 O ASP A2979 -2.162 13.519 2.651 1.00 0.00 O ATOM 389 CB ASP A2979 -0.516 11.097 4.377 1.00 0.00 C ATOM 390 CG ASP A2979 -0.236 12.391 5.158 1.00 0.00 C ATOM 391 OD1 ASP A2979 -1.106 12.821 5.948 1.00 0.00 O ATOM 392 OD2 ASP A2979 0.852 12.985 4.997 1.00 0.00 O ATOM 0 H ASP A2979 -1.101 9.316 2.745 1.00 0.00 H new ATOM 0 HA ASP A2979 -2.624 11.387 3.915 1.00 0.00 H new ATOM 0 HB2 ASP A2979 -0.742 10.295 5.080 1.00 0.00 H new ATOM 0 HB3 ASP A2979 0.383 10.803 3.836 1.00 0.00 H new ATOM 397 N ILE A2980 -0.488 12.424 1.599 1.00 0.00 N ATOM 398 CA ILE A2980 -0.194 13.559 0.705 1.00 0.00 C ATOM 399 C ILE A2980 -1.229 13.638 -0.432 1.00 0.00 C ATOM 400 O ILE A2980 -1.440 14.704 -0.985 1.00 0.00 O ATOM 401 CB ILE A2980 1.281 13.577 0.128 1.00 0.00 C ATOM 402 CG1 ILE A2980 1.488 12.551 -1.029 1.00 0.00 C ATOM 403 CG2 ILE A2980 2.309 13.358 1.269 1.00 0.00 C ATOM 404 CD1 ILE A2980 1.351 11.110 -0.614 1.00 0.00 C ATOM 0 H ILE A2980 0.114 11.611 1.467 1.00 0.00 H new ATOM 0 HA ILE A2980 -0.269 14.449 1.330 1.00 0.00 H new ATOM 0 HB ILE A2980 1.446 14.562 -0.308 1.00 0.00 H new ATOM 0 HG12 ILE A2980 0.765 12.760 -1.817 1.00 0.00 H new ATOM 0 HG13 ILE A2980 2.479 12.700 -1.458 1.00 0.00 H new ATOM 0 HG21 ILE A2980 3.318 13.373 0.857 1.00 0.00 H new ATOM 0 HG22 ILE A2980 2.207 14.153 2.008 1.00 0.00 H new ATOM 0 HG23 ILE A2980 2.125 12.394 1.744 1.00 0.00 H new ATOM 0 HD11 ILE A2980 1.510 10.466 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A2980 2.092 10.880 0.151 1.00 0.00 H new ATOM 0 HD13 ILE A2980 0.351 10.940 -0.214 1.00 0.00 H new ATOM 416 N ARG A2981 -1.897 12.504 -0.754 1.00 0.00 N ATOM 417 CA ARG A2981 -2.868 12.458 -1.870 1.00 0.00 C ATOM 418 C ARG A2981 -4.178 13.170 -1.466 1.00 0.00 C ATOM 419 O ARG A2981 -4.819 13.826 -2.304 1.00 0.00 O ATOM 420 CB ARG A2981 -3.086 10.983 -2.383 1.00 0.00 C ATOM 421 CG ARG A2981 -4.223 10.143 -1.730 1.00 0.00 C ATOM 422 CD ARG A2981 -5.596 10.328 -2.405 1.00 0.00 C ATOM 423 NE ARG A2981 -6.605 9.408 -1.858 1.00 0.00 N ATOM 424 CZ ARG A2981 -7.657 8.920 -2.536 1.00 0.00 C ATOM 425 NH1 ARG A2981 -7.926 9.352 -3.761 1.00 0.00 N ATOM 426 NH2 ARG A2981 -8.451 8.028 -1.971 1.00 0.00 N ATOM 0 H ARG A2981 -1.782 11.618 -0.261 1.00 0.00 H new ATOM 0 HA ARG A2981 -2.461 13.005 -2.721 1.00 0.00 H new ATOM 0 HB2 ARG A2981 -3.277 11.027 -3.455 1.00 0.00 H new ATOM 0 HB3 ARG A2981 -2.150 10.441 -2.248 1.00 0.00 H new ATOM 0 HG2 ARG A2981 -3.950 9.088 -1.766 1.00 0.00 H new ATOM 0 HG3 ARG A2981 -4.306 10.416 -0.678 1.00 0.00 H new ATOM 0 HD2 ARG A2981 -5.931 11.356 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A2981 -5.498 10.163 -3.478 1.00 0.00 H new ATOM 0 HE ARG A2981 -6.497 9.117 -0.886 1.00 0.00 H new ATOM 0 HH11 ARG A2981 -7.332 10.059 -4.194 1.00 0.00 H new ATOM 0 HH12 ARG A2981 -8.727 8.977 -4.270 1.00 0.00 H new ATOM 0 HH21 ARG A2981 -8.265 7.710 -1.020 1.00 0.00 H new ATOM 0 HH22 ARG A2981 -9.250 7.658 -2.486 1.00 0.00 H new ATOM 440 N ARG A2982 -4.574 13.030 -0.179 1.00 0.00 N ATOM 441 CA ARG A2982 -5.750 13.735 0.371 1.00 0.00 C ATOM 442 C ARG A2982 -5.457 15.235 0.479 1.00 0.00 C ATOM 443 O ARG A2982 -6.333 16.050 0.161 1.00 0.00 O ATOM 444 CB ARG A2982 -6.211 13.170 1.760 1.00 0.00 C ATOM 445 CG ARG A2982 -5.091 13.055 2.806 1.00 0.00 C ATOM 446 CD ARG A2982 -5.556 12.808 4.250 1.00 0.00 C ATOM 447 NE ARG A2982 -6.044 14.042 4.885 1.00 0.00 N ATOM 448 CZ ARG A2982 -5.256 14.998 5.410 1.00 0.00 C ATOM 449 NH1 ARG A2982 -3.928 14.889 5.403 1.00 0.00 N ATOM 450 NH2 ARG A2982 -5.807 16.063 5.948 1.00 0.00 N ATOM 0 H ARG A2982 -4.094 12.434 0.496 1.00 0.00 H new ATOM 0 HA ARG A2982 -6.574 13.567 -0.322 1.00 0.00 H new ATOM 0 HB2 ARG A2982 -6.996 13.813 2.157 1.00 0.00 H new ATOM 0 HB3 ARG A2982 -6.652 12.185 1.609 1.00 0.00 H new ATOM 0 HG2 ARG A2982 -4.426 12.242 2.513 1.00 0.00 H new ATOM 0 HG3 ARG A2982 -4.502 13.972 2.784 1.00 0.00 H new ATOM 0 HD2 ARG A2982 -6.348 12.059 4.254 1.00 0.00 H new ATOM 0 HD3 ARG A2982 -4.730 12.401 4.833 1.00 0.00 H new ATOM 0 HE ARG A2982 -7.053 14.183 4.931 1.00 0.00 H new ATOM 0 HH11 ARG A2982 -3.486 14.066 4.993 1.00 0.00 H new ATOM 0 HH12 ARG A2982 -3.353 15.628 5.808 1.00 0.00 H new ATOM 0 HH21 ARG A2982 -6.822 16.159 5.965 1.00 0.00 H new ATOM 0 HH22 ARG A2982 -5.219 16.794 6.349 1.00 0.00 H new ATOM 464 N GLU A2983 -4.221 15.604 0.912 1.00 0.00 N ATOM 465 CA GLU A2983 -3.876 17.026 1.074 1.00 0.00 C ATOM 466 C GLU A2983 -3.761 17.731 -0.291 1.00 0.00 C ATOM 467 O GLU A2983 -4.209 18.852 -0.421 1.00 0.00 O ATOM 468 CB GLU A2983 -2.592 17.248 1.925 1.00 0.00 C ATOM 469 CG GLU A2983 -1.248 17.057 1.198 1.00 0.00 C ATOM 470 CD GLU A2983 -0.028 17.325 2.093 1.00 0.00 C ATOM 471 OE1 GLU A2983 0.353 18.499 2.257 1.00 0.00 O ATOM 472 OE2 GLU A2983 0.540 16.363 2.646 1.00 0.00 O ATOM 0 H GLU A2983 -3.473 14.951 1.147 1.00 0.00 H new ATOM 0 HA GLU A2983 -4.698 17.478 1.629 1.00 0.00 H new ATOM 0 HB2 GLU A2983 -2.621 18.260 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A2983 -2.622 16.564 2.773 1.00 0.00 H new ATOM 0 HG2 GLU A2983 -1.192 16.038 0.815 1.00 0.00 H new ATOM 0 HG3 GLU A2983 -1.211 17.724 0.337 1.00 0.00 H new ATOM 479 N VAL A2984 -3.204 17.062 -1.327 1.00 0.00 N ATOM 480 CA VAL A2984 -3.073 17.678 -2.676 1.00 0.00 C ATOM 481 C VAL A2984 -4.456 17.844 -3.336 1.00 0.00 C ATOM 482 O VAL A2984 -4.677 18.788 -4.083 1.00 0.00 O ATOM 483 CB VAL A2984 -2.094 16.896 -3.642 1.00 0.00 C ATOM 484 CG1 VAL A2984 -0.668 16.827 -3.056 1.00 0.00 C ATOM 485 CG2 VAL A2984 -2.627 15.492 -4.015 1.00 0.00 C ATOM 0 H VAL A2984 -2.842 16.111 -1.262 1.00 0.00 H new ATOM 0 HA VAL A2984 -2.624 18.658 -2.514 1.00 0.00 H new ATOM 0 HB VAL A2984 -2.045 17.464 -4.571 1.00 0.00 H new ATOM 0 HG11 VAL A2984 -0.018 16.284 -3.742 1.00 0.00 H new ATOM 0 HG12 VAL A2984 -0.283 17.837 -2.915 1.00 0.00 H new ATOM 0 HG13 VAL A2984 -0.694 16.311 -2.096 1.00 0.00 H new ATOM 0 HG21 VAL A2984 -1.918 14.998 -4.679 1.00 0.00 H new ATOM 0 HG22 VAL A2984 -2.751 14.898 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A2984 -3.588 15.590 -4.519 1.00 0.00 H new ATOM 495 N LEU A2985 -5.392 16.938 -3.021 1.00 0.00 N ATOM 496 CA LEU A2985 -6.771 17.015 -3.528 1.00 0.00 C ATOM 497 C LEU A2985 -7.486 18.283 -2.999 1.00 0.00 C ATOM 498 O LEU A2985 -8.059 19.069 -3.762 1.00 0.00 O ATOM 499 CB LEU A2985 -7.545 15.748 -3.102 1.00 0.00 C ATOM 500 CG LEU A2985 -8.956 15.557 -3.744 1.00 0.00 C ATOM 501 CD1 LEU A2985 -8.851 15.409 -5.274 1.00 0.00 C ATOM 502 CD2 LEU A2985 -9.706 14.360 -3.120 1.00 0.00 C ATOM 0 H LEU A2985 -5.218 16.138 -2.413 1.00 0.00 H new ATOM 0 HA LEU A2985 -6.742 17.076 -4.616 1.00 0.00 H new ATOM 0 HB2 LEU A2985 -6.937 14.877 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A2985 -7.660 15.765 -2.018 1.00 0.00 H new ATOM 0 HG LEU A2985 -9.538 16.454 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A2985 -9.847 15.277 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A2985 -8.394 16.304 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A2985 -8.238 14.541 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A2985 -10.684 14.258 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A2985 -9.130 13.448 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A2985 -9.834 14.528 -2.051 1.00 0.00 H new ATOM 514 N GLN A2986 -7.408 18.468 -1.679 1.00 0.00 N ATOM 515 CA GLN A2986 -8.137 19.530 -0.966 1.00 0.00 C ATOM 516 C GLN A2986 -7.426 20.898 -1.083 1.00 0.00 C ATOM 517 O GLN A2986 -8.068 21.902 -1.369 1.00 0.00 O ATOM 518 CB GLN A2986 -8.319 19.098 0.510 1.00 0.00 C ATOM 519 CG GLN A2986 -9.114 17.778 0.664 1.00 0.00 C ATOM 520 CD GLN A2986 -9.099 17.174 2.072 1.00 0.00 C ATOM 521 OE1 GLN A2986 -8.996 17.885 3.075 1.00 0.00 O ATOM 522 NE2 GLN A2986 -9.185 15.850 2.141 1.00 0.00 N ATOM 0 H GLN A2986 -6.836 17.885 -1.068 1.00 0.00 H new ATOM 0 HA GLN A2986 -9.116 19.665 -1.426 1.00 0.00 H new ATOM 0 HB2 GLN A2986 -7.338 18.980 0.971 1.00 0.00 H new ATOM 0 HB3 GLN A2986 -8.834 19.890 1.053 1.00 0.00 H new ATOM 0 HG2 GLN A2986 -10.149 17.959 0.373 1.00 0.00 H new ATOM 0 HG3 GLN A2986 -8.710 17.045 -0.034 1.00 0.00 H new ATOM 0 HE21 GLN A2986 -9.269 15.299 1.287 1.00 0.00 H new ATOM 0 HE22 GLN A2986 -9.167 15.384 3.048 1.00 0.00 H new ATOM 531 N ASN A2987 -6.100 20.917 -0.881 1.00 0.00 N ATOM 532 CA ASN A2987 -5.288 22.164 -0.894 1.00 0.00 C ATOM 533 C ASN A2987 -5.233 22.785 -2.303 1.00 0.00 C ATOM 534 O ASN A2987 -5.361 24.010 -2.444 1.00 0.00 O ATOM 535 CB ASN A2987 -3.845 21.906 -0.374 1.00 0.00 C ATOM 536 CG ASN A2987 -3.771 21.474 1.100 1.00 0.00 C ATOM 537 OD1 ASN A2987 -4.709 20.887 1.648 1.00 0.00 O ATOM 538 ND2 ASN A2987 -2.637 21.719 1.737 1.00 0.00 N ATOM 0 H ASN A2987 -5.552 20.075 -0.704 1.00 0.00 H new ATOM 0 HA ASN A2987 -5.778 22.869 -0.223 1.00 0.00 H new ATOM 0 HB2 ASN A2987 -3.382 21.135 -0.990 1.00 0.00 H new ATOM 0 HB3 ASN A2987 -3.257 22.814 -0.504 1.00 0.00 H new ATOM 0 HD21 ASN A2987 -2.521 21.421 2.706 1.00 0.00 H new ATOM 0 HD22 ASN A2987 -1.879 22.206 1.259 1.00 0.00 H new ATOM 545 N GLN A2988 -5.040 21.937 -3.340 1.00 0.00 N ATOM 546 CA GLN A2988 -4.964 22.410 -4.739 1.00 0.00 C ATOM 547 C GLN A2988 -6.363 22.780 -5.277 1.00 0.00 C ATOM 548 O GLN A2988 -6.589 23.918 -5.707 1.00 0.00 O ATOM 549 CB GLN A2988 -4.300 21.343 -5.652 1.00 0.00 C ATOM 550 CG GLN A2988 -2.809 21.065 -5.333 1.00 0.00 C ATOM 551 CD GLN A2988 -2.162 19.990 -6.224 1.00 0.00 C ATOM 552 OE1 GLN A2988 -0.967 20.052 -6.527 1.00 0.00 O ATOM 553 NE2 GLN A2988 -2.926 18.963 -6.608 1.00 0.00 N ATOM 0 H GLN A2988 -4.935 20.928 -3.234 1.00 0.00 H new ATOM 0 HA GLN A2988 -4.344 23.307 -4.751 1.00 0.00 H new ATOM 0 HB2 GLN A2988 -4.857 20.410 -5.565 1.00 0.00 H new ATOM 0 HB3 GLN A2988 -4.382 21.668 -6.689 1.00 0.00 H new ATOM 0 HG2 GLN A2988 -2.248 21.993 -5.438 1.00 0.00 H new ATOM 0 HG3 GLN A2988 -2.724 20.757 -4.291 1.00 0.00 H new ATOM 0 HE21 GLN A2988 -3.911 18.934 -6.345 1.00 0.00 H new ATOM 0 HE22 GLN A2988 -2.524 18.208 -7.164 1.00 0.00 H new ATOM 562 N LEU A2989 -7.312 21.822 -5.229 1.00 0.00 N ATOM 563 CA LEU A2989 -8.639 21.991 -5.866 1.00 0.00 C ATOM 564 C LEU A2989 -9.634 22.649 -4.905 1.00 0.00 C ATOM 565 O LEU A2989 -10.253 23.664 -5.248 1.00 0.00 O ATOM 566 CB LEU A2989 -9.211 20.646 -6.400 1.00 0.00 C ATOM 567 CG LEU A2989 -8.369 19.903 -7.500 1.00 0.00 C ATOM 568 CD1 LEU A2989 -7.885 20.869 -8.606 1.00 0.00 C ATOM 569 CD2 LEU A2989 -7.192 19.104 -6.893 1.00 0.00 C ATOM 0 H LEU A2989 -7.187 20.926 -4.758 1.00 0.00 H new ATOM 0 HA LEU A2989 -8.493 22.649 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A2989 -9.335 19.970 -5.554 1.00 0.00 H new ATOM 0 HB3 LEU A2989 -10.205 20.837 -6.805 1.00 0.00 H new ATOM 0 HG LEU A2989 -9.038 19.181 -7.968 1.00 0.00 H new ATOM 0 HD11 LEU A2989 -7.307 20.315 -9.346 1.00 0.00 H new ATOM 0 HD12 LEU A2989 -8.747 21.330 -9.089 1.00 0.00 H new ATOM 0 HD13 LEU A2989 -7.260 21.644 -8.164 1.00 0.00 H new ATOM 0 HD21 LEU A2989 -6.639 18.608 -7.691 1.00 0.00 H new ATOM 0 HD22 LEU A2989 -6.528 19.784 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU A2989 -7.579 18.357 -6.200 1.00 0.00 H new ATOM 581 N GLY A2990 -9.770 22.076 -3.693 1.00 0.00 N ATOM 582 CA GLY A2990 -10.771 22.538 -2.723 1.00 0.00 C ATOM 583 C GLY A2990 -11.958 21.599 -2.572 1.00 0.00 C ATOM 584 O GLY A2990 -12.759 21.761 -1.639 1.00 0.00 O ATOM 0 H GLY A2990 -9.200 21.296 -3.367 1.00 0.00 H new ATOM 0 HA2 GLY A2990 -10.292 22.662 -1.752 1.00 0.00 H new ATOM 0 HA3 GLY A2990 -11.133 23.520 -3.028 1.00 0.00 H new ATOM 588 N ILE A2991 -12.085 20.630 -3.498 1.00 0.00 N ATOM 589 CA ILE A2991 -13.176 19.639 -3.490 1.00 0.00 C ATOM 590 C ILE A2991 -13.075 18.767 -2.212 1.00 0.00 C ATOM 591 O ILE A2991 -12.011 18.208 -1.907 1.00 0.00 O ATOM 592 CB ILE A2991 -13.170 18.769 -4.831 1.00 0.00 C ATOM 593 CG1 ILE A2991 -14.449 17.847 -4.981 1.00 0.00 C ATOM 594 CG2 ILE A2991 -11.860 17.954 -4.998 1.00 0.00 C ATOM 595 CD1 ILE A2991 -14.442 16.500 -4.247 1.00 0.00 C ATOM 0 H ILE A2991 -11.433 20.513 -4.273 1.00 0.00 H new ATOM 0 HA ILE A2991 -14.136 20.154 -3.466 1.00 0.00 H new ATOM 0 HB ILE A2991 -13.212 19.491 -5.647 1.00 0.00 H new ATOM 0 HG12 ILE A2991 -15.314 18.413 -4.636 1.00 0.00 H new ATOM 0 HG13 ILE A2991 -14.599 17.651 -6.043 1.00 0.00 H new ATOM 0 HG21 ILE A2991 -11.904 17.380 -5.923 1.00 0.00 H new ATOM 0 HG22 ILE A2991 -11.010 18.635 -5.034 1.00 0.00 H new ATOM 0 HG23 ILE A2991 -11.745 17.274 -4.154 1.00 0.00 H new ATOM 0 HD11 ILE A2991 -15.378 15.976 -4.439 1.00 0.00 H new ATOM 0 HD12 ILE A2991 -13.608 15.895 -4.604 1.00 0.00 H new ATOM 0 HD13 ILE A2991 -14.334 16.670 -3.176 1.00 0.00 H new ATOM 607 N ARG A2992 -14.183 18.702 -1.445 1.00 0.00 N ATOM 608 CA ARG A2992 -14.242 17.950 -0.186 1.00 0.00 C ATOM 609 C ARG A2992 -14.785 16.526 -0.444 1.00 0.00 C ATOM 610 O ARG A2992 -15.868 16.372 -1.030 1.00 0.00 O ATOM 611 CB ARG A2992 -15.095 18.710 0.878 1.00 0.00 C ATOM 612 CG ARG A2992 -16.595 18.888 0.543 1.00 0.00 C ATOM 613 CD ARG A2992 -17.324 19.782 1.561 1.00 0.00 C ATOM 614 NE ARG A2992 -16.727 21.130 1.629 1.00 0.00 N ATOM 615 CZ ARG A2992 -17.096 22.103 2.478 1.00 0.00 C ATOM 616 NH1 ARG A2992 -18.091 21.923 3.344 1.00 0.00 N ATOM 617 NH2 ARG A2992 -16.465 23.264 2.452 1.00 0.00 N ATOM 0 H ARG A2992 -15.057 19.170 -1.685 1.00 0.00 H new ATOM 0 HA ARG A2992 -13.234 17.858 0.218 1.00 0.00 H new ATOM 0 HB2 ARG A2992 -15.015 18.178 1.826 1.00 0.00 H new ATOM 0 HB3 ARG A2992 -14.657 19.697 1.028 1.00 0.00 H new ATOM 0 HG2 ARG A2992 -16.693 19.322 -0.452 1.00 0.00 H new ATOM 0 HG3 ARG A2992 -17.076 17.910 0.513 1.00 0.00 H new ATOM 0 HD2 ARG A2992 -18.376 19.863 1.287 1.00 0.00 H new ATOM 0 HD3 ARG A2992 -17.287 19.317 2.546 1.00 0.00 H new ATOM 0 HE ARG A2992 -15.971 21.340 0.977 1.00 0.00 H new ATOM 0 HH11 ARG A2992 -18.589 21.033 3.371 1.00 0.00 H new ATOM 0 HH12 ARG A2992 -18.356 22.675 3.980 1.00 0.00 H new ATOM 0 HH21 ARG A2992 -15.704 23.416 1.790 1.00 0.00 H new ATOM 0 HH22 ARG A2992 -16.739 24.008 3.094 1.00 0.00 H new