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 44:sc= 0.229 USER MOD Single : A2971 SER OG : rot 180:sc= 0 USER MOD Single : A2986 GLN : amide:sc= -0.523 K(o=-0.52,f=0) USER MOD Single : A2987 ASN : amide:sc= -0.0748 K(o=-0.075,f=-0.62) USER MOD Single : A2988 GLN : amide:sc= -0.64 K(o=-0.64,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ASP A2957 -7.805 5.733 -10.707 1.00 0.00 N ATOM 82 CA ASP A2957 -7.676 5.730 -12.182 1.00 0.00 C ATOM 83 C ASP A2957 -8.789 6.594 -12.829 1.00 0.00 C ATOM 84 O ASP A2957 -9.968 6.357 -12.560 1.00 0.00 O ATOM 85 CB ASP A2957 -7.754 4.269 -12.694 1.00 0.00 C ATOM 86 CG ASP A2957 -7.568 4.135 -14.216 1.00 0.00 C ATOM 87 OD1 ASP A2957 -6.410 4.037 -14.679 1.00 0.00 O ATOM 88 OD2 ASP A2957 -8.575 4.122 -14.952 1.00 0.00 O ATOM 0 HA ASP A2957 -6.715 6.161 -12.461 1.00 0.00 H new ATOM 0 HB2 ASP A2957 -6.991 3.676 -12.190 1.00 0.00 H new ATOM 0 HB3 ASP A2957 -8.720 3.847 -12.417 1.00 0.00 H new ATOM 93 N PRO A2958 -8.441 7.590 -13.720 1.00 0.00 N ATOM 94 CA PRO A2958 -9.431 8.536 -14.319 1.00 0.00 C ATOM 95 C PRO A2958 -10.363 7.865 -15.361 1.00 0.00 C ATOM 96 O PRO A2958 -11.476 8.345 -15.603 1.00 0.00 O ATOM 97 CB PRO A2958 -8.527 9.617 -14.971 1.00 0.00 C ATOM 98 CG PRO A2958 -7.274 8.872 -15.335 1.00 0.00 C ATOM 99 CD PRO A2958 -7.067 7.859 -14.223 1.00 0.00 C ATOM 0 HA PRO A2958 -10.123 8.933 -13.576 1.00 0.00 H new ATOM 0 HB2 PRO A2958 -9.000 10.056 -15.850 1.00 0.00 H new ATOM 0 HB3 PRO A2958 -8.319 10.434 -14.280 1.00 0.00 H new ATOM 0 HG2 PRO A2958 -7.378 8.378 -16.301 1.00 0.00 H new ATOM 0 HG3 PRO A2958 -6.423 9.549 -15.413 1.00 0.00 H new ATOM 0 HD2 PRO A2958 -6.593 6.950 -14.594 1.00 0.00 H new ATOM 0 HD3 PRO A2958 -6.425 8.255 -13.437 1.00 0.00 H new ATOM 107 N LEU A2959 -9.900 6.754 -15.968 1.00 0.00 N ATOM 108 CA LEU A2959 -10.666 6.020 -16.996 1.00 0.00 C ATOM 109 C LEU A2959 -11.673 5.050 -16.340 1.00 0.00 C ATOM 110 O LEU A2959 -12.596 4.564 -16.999 1.00 0.00 O ATOM 111 CB LEU A2959 -9.693 5.262 -17.942 1.00 0.00 C ATOM 112 CG LEU A2959 -10.330 4.576 -19.200 1.00 0.00 C ATOM 113 CD1 LEU A2959 -10.975 5.610 -20.154 1.00 0.00 C ATOM 114 CD2 LEU A2959 -9.299 3.705 -19.942 1.00 0.00 C ATOM 0 H LEU A2959 -8.990 6.342 -15.761 1.00 0.00 H new ATOM 0 HA LEU A2959 -11.236 6.736 -17.588 1.00 0.00 H new ATOM 0 HB2 LEU A2959 -8.934 5.965 -18.285 1.00 0.00 H new ATOM 0 HB3 LEU A2959 -9.179 4.497 -17.360 1.00 0.00 H new ATOM 0 HG LEU A2959 -11.126 3.923 -18.842 1.00 0.00 H new ATOM 0 HD11 LEU A2959 -11.405 5.094 -21.013 1.00 0.00 H new ATOM 0 HD12 LEU A2959 -11.760 6.152 -19.626 1.00 0.00 H new ATOM 0 HD13 LEU A2959 -10.215 6.313 -20.496 1.00 0.00 H new ATOM 0 HD21 LEU A2959 -9.770 3.243 -20.809 1.00 0.00 H new ATOM 0 HD22 LEU A2959 -8.466 4.327 -20.270 1.00 0.00 H new ATOM 0 HD23 LEU A2959 -8.930 2.928 -19.272 1.00 0.00 H new ATOM 126 N ALA A2960 -11.504 4.803 -15.020 1.00 0.00 N ATOM 127 CA ALA A2960 -12.445 3.992 -14.216 1.00 0.00 C ATOM 128 C ALA A2960 -13.842 4.649 -14.117 1.00 0.00 C ATOM 129 O ALA A2960 -14.804 4.012 -13.681 1.00 0.00 O ATOM 130 CB ALA A2960 -11.865 3.743 -12.818 1.00 0.00 C ATOM 0 H ALA A2960 -10.713 5.160 -14.484 1.00 0.00 H new ATOM 0 HA ALA A2960 -12.576 3.037 -14.725 1.00 0.00 H new ATOM 0 HB1 ALA A2960 -12.565 3.145 -12.235 1.00 0.00 H new ATOM 0 HB2 ALA A2960 -10.919 3.209 -12.906 1.00 0.00 H new ATOM 0 HB3 ALA A2960 -11.698 4.697 -12.318 1.00 0.00 H new ATOM 136 N GLY A2961 -13.931 5.933 -14.528 1.00 0.00 N ATOM 137 CA GLY A2961 -15.197 6.669 -14.569 1.00 0.00 C ATOM 138 C GLY A2961 -15.473 7.461 -13.300 1.00 0.00 C ATOM 139 O GLY A2961 -16.564 8.022 -13.143 1.00 0.00 O ATOM 0 H GLY A2961 -13.127 6.479 -14.838 1.00 0.00 H new ATOM 0 HA2 GLY A2961 -15.186 7.351 -15.419 1.00 0.00 H new ATOM 0 HA3 GLY A2961 -16.013 5.966 -14.735 1.00 0.00 H new ATOM 143 N ILE A2962 -14.488 7.504 -12.385 1.00 0.00 N ATOM 144 CA ILE A2962 -14.588 8.284 -11.137 1.00 0.00 C ATOM 145 C ILE A2962 -14.217 9.765 -11.379 1.00 0.00 C ATOM 146 O ILE A2962 -13.527 10.092 -12.352 1.00 0.00 O ATOM 147 CB ILE A2962 -13.729 7.628 -9.969 1.00 0.00 C ATOM 148 CG1 ILE A2962 -12.261 7.268 -10.413 1.00 0.00 C ATOM 149 CG2 ILE A2962 -14.450 6.372 -9.414 1.00 0.00 C ATOM 150 CD1 ILE A2962 -11.283 8.431 -10.486 1.00 0.00 C ATOM 0 H ILE A2962 -13.606 7.003 -12.488 1.00 0.00 H new ATOM 0 HA ILE A2962 -15.627 8.263 -10.808 1.00 0.00 H new ATOM 0 HB ILE A2962 -13.642 8.377 -9.182 1.00 0.00 H new ATOM 0 HG12 ILE A2962 -11.864 6.528 -9.718 1.00 0.00 H new ATOM 0 HG13 ILE A2962 -12.305 6.794 -11.393 1.00 0.00 H new ATOM 0 HG21 ILE A2962 -13.852 5.932 -8.616 1.00 0.00 H new ATOM 0 HG22 ILE A2962 -15.426 6.657 -9.022 1.00 0.00 H new ATOM 0 HG23 ILE A2962 -14.579 5.643 -10.214 1.00 0.00 H new ATOM 0 HD11 ILE A2962 -10.306 8.065 -10.802 1.00 0.00 H new ATOM 0 HD12 ILE A2962 -11.645 9.166 -11.205 1.00 0.00 H new ATOM 0 HD13 ILE A2962 -11.197 8.896 -9.504 1.00 0.00 H new ATOM 162 N SER A2963 -14.693 10.646 -10.489 1.00 0.00 N ATOM 163 CA SER A2963 -14.558 12.100 -10.647 1.00 0.00 C ATOM 164 C SER A2963 -13.241 12.619 -10.030 1.00 0.00 C ATOM 165 O SER A2963 -13.121 12.751 -8.805 1.00 0.00 O ATOM 166 CB SER A2963 -15.791 12.803 -10.021 1.00 0.00 C ATOM 167 OG SER A2963 -16.001 12.416 -8.667 1.00 0.00 O ATOM 0 H SER A2963 -15.183 10.370 -9.638 1.00 0.00 H new ATOM 0 HA SER A2963 -14.518 12.334 -11.711 1.00 0.00 H new ATOM 0 HB2 SER A2963 -15.656 13.883 -10.071 1.00 0.00 H new ATOM 0 HB3 SER A2963 -16.679 12.565 -10.607 1.00 0.00 H new ATOM 0 HG SER A2963 -15.144 12.408 -8.192 1.00 0.00 H new ATOM 173 N LEU A2964 -12.239 12.856 -10.893 1.00 0.00 N ATOM 174 CA LEU A2964 -11.017 13.597 -10.532 1.00 0.00 C ATOM 175 C LEU A2964 -11.142 15.046 -11.039 1.00 0.00 C ATOM 176 O LEU A2964 -11.579 15.254 -12.180 1.00 0.00 O ATOM 177 CB LEU A2964 -9.751 12.921 -11.132 1.00 0.00 C ATOM 178 CG LEU A2964 -9.335 11.566 -10.481 1.00 0.00 C ATOM 179 CD1 LEU A2964 -8.090 10.951 -11.175 1.00 0.00 C ATOM 180 CD2 LEU A2964 -9.099 11.738 -8.956 1.00 0.00 C ATOM 0 H LEU A2964 -12.253 12.539 -11.862 1.00 0.00 H new ATOM 0 HA LEU A2964 -10.908 13.593 -9.447 1.00 0.00 H new ATOM 0 HB2 LEU A2964 -9.920 12.755 -12.196 1.00 0.00 H new ATOM 0 HB3 LEU A2964 -8.916 13.616 -11.046 1.00 0.00 H new ATOM 0 HG LEU A2964 -10.159 10.867 -10.622 1.00 0.00 H new ATOM 0 HD11 LEU A2964 -7.833 10.008 -10.692 1.00 0.00 H new ATOM 0 HD12 LEU A2964 -8.312 10.771 -12.227 1.00 0.00 H new ATOM 0 HD13 LEU A2964 -7.250 11.641 -11.094 1.00 0.00 H new ATOM 0 HD21 LEU A2964 -8.810 10.781 -8.522 1.00 0.00 H new ATOM 0 HD22 LEU A2964 -8.305 12.466 -8.791 1.00 0.00 H new ATOM 0 HD23 LEU A2964 -10.016 12.088 -8.483 1.00 0.00 H new ATOM 192 N PRO A2965 -10.810 16.074 -10.200 1.00 0.00 N ATOM 193 CA PRO A2965 -10.748 17.478 -10.660 1.00 0.00 C ATOM 194 C PRO A2965 -9.471 17.755 -11.492 1.00 0.00 C ATOM 195 O PRO A2965 -8.590 16.889 -11.614 1.00 0.00 O ATOM 196 CB PRO A2965 -10.791 18.278 -9.338 1.00 0.00 C ATOM 197 CG PRO A2965 -10.142 17.369 -8.335 1.00 0.00 C ATOM 198 CD PRO A2965 -10.493 15.954 -8.748 1.00 0.00 C ATOM 0 HA PRO A2965 -11.559 17.750 -11.336 1.00 0.00 H new ATOM 0 HB2 PRO A2965 -10.253 19.222 -9.426 1.00 0.00 H new ATOM 0 HB3 PRO A2965 -11.815 18.520 -9.052 1.00 0.00 H new ATOM 0 HG2 PRO A2965 -9.062 17.513 -8.323 1.00 0.00 H new ATOM 0 HG3 PRO A2965 -10.503 17.581 -7.329 1.00 0.00 H new ATOM 0 HD2 PRO A2965 -9.662 15.270 -8.575 1.00 0.00 H new ATOM 0 HD3 PRO A2965 -11.344 15.572 -8.183 1.00 0.00 H new ATOM 206 N GLU A2966 -9.395 18.964 -12.056 1.00 0.00 N ATOM 207 CA GLU A2966 -8.334 19.352 -13.004 1.00 0.00 C ATOM 208 C GLU A2966 -6.965 19.514 -12.296 1.00 0.00 C ATOM 209 O GLU A2966 -6.899 19.984 -11.156 1.00 0.00 O ATOM 210 CB GLU A2966 -8.743 20.665 -13.718 1.00 0.00 C ATOM 211 CG GLU A2966 -7.801 21.110 -14.851 1.00 0.00 C ATOM 212 CD GLU A2966 -8.156 22.500 -15.395 1.00 0.00 C ATOM 213 OE1 GLU A2966 -8.998 22.597 -16.308 1.00 0.00 O ATOM 214 OE2 GLU A2966 -7.610 23.501 -14.890 1.00 0.00 O ATOM 0 H GLU A2966 -10.068 19.708 -11.870 1.00 0.00 H new ATOM 0 HA GLU A2966 -8.219 18.557 -13.741 1.00 0.00 H new ATOM 0 HB2 GLU A2966 -9.746 20.541 -14.127 1.00 0.00 H new ATOM 0 HB3 GLU A2966 -8.797 21.462 -12.977 1.00 0.00 H new ATOM 0 HG2 GLU A2966 -6.775 21.118 -14.484 1.00 0.00 H new ATOM 0 HG3 GLU A2966 -7.844 20.383 -15.662 1.00 0.00 H new ATOM 221 N GLY A2967 -5.884 19.108 -12.996 1.00 0.00 N ATOM 222 CA GLY A2967 -4.515 19.195 -12.475 1.00 0.00 C ATOM 223 C GLY A2967 -4.136 18.044 -11.542 1.00 0.00 C ATOM 224 O GLY A2967 -3.065 18.077 -10.928 1.00 0.00 O ATOM 0 H GLY A2967 -5.942 18.713 -13.935 1.00 0.00 H new ATOM 0 HA2 GLY A2967 -3.818 19.216 -13.313 1.00 0.00 H new ATOM 0 HA3 GLY A2967 -4.399 20.138 -11.940 1.00 0.00 H new ATOM 228 N VAL A2968 -5.022 17.033 -11.426 1.00 0.00 N ATOM 229 CA VAL A2968 -4.808 15.850 -10.568 1.00 0.00 C ATOM 230 C VAL A2968 -4.460 14.631 -11.445 1.00 0.00 C ATOM 231 O VAL A2968 -5.306 14.126 -12.194 1.00 0.00 O ATOM 232 CB VAL A2968 -6.080 15.551 -9.677 1.00 0.00 C ATOM 233 CG1 VAL A2968 -5.856 14.334 -8.745 1.00 0.00 C ATOM 234 CG2 VAL A2968 -6.478 16.806 -8.861 1.00 0.00 C ATOM 0 H VAL A2968 -5.910 17.015 -11.927 1.00 0.00 H new ATOM 0 HA VAL A2968 -3.976 16.056 -9.894 1.00 0.00 H new ATOM 0 HB VAL A2968 -6.901 15.297 -10.348 1.00 0.00 H new ATOM 0 HG11 VAL A2968 -6.753 14.162 -8.150 1.00 0.00 H new ATOM 0 HG12 VAL A2968 -5.644 13.450 -9.346 1.00 0.00 H new ATOM 0 HG13 VAL A2968 -5.014 14.533 -8.083 1.00 0.00 H new ATOM 0 HG21 VAL A2968 -7.355 16.582 -8.254 1.00 0.00 H new ATOM 0 HG22 VAL A2968 -5.651 17.095 -8.212 1.00 0.00 H new ATOM 0 HG23 VAL A2968 -6.708 17.625 -9.542 1.00 0.00 H new ATOM 244 N ASP A2969 -3.190 14.205 -11.384 1.00 0.00 N ATOM 245 CA ASP A2969 -2.690 13.028 -12.112 1.00 0.00 C ATOM 246 C ASP A2969 -2.838 11.757 -11.256 1.00 0.00 C ATOM 247 O ASP A2969 -2.594 11.807 -10.048 1.00 0.00 O ATOM 248 CB ASP A2969 -1.199 13.228 -12.501 1.00 0.00 C ATOM 249 CG ASP A2969 -0.998 14.354 -13.527 1.00 0.00 C ATOM 250 OD1 ASP A2969 -1.104 14.089 -14.744 1.00 0.00 O ATOM 251 OD2 ASP A2969 -0.767 15.514 -13.126 1.00 0.00 O ATOM 0 H ASP A2969 -2.475 14.670 -10.824 1.00 0.00 H new ATOM 0 HA ASP A2969 -3.283 12.911 -13.019 1.00 0.00 H new ATOM 0 HB2 ASP A2969 -0.621 13.452 -11.604 1.00 0.00 H new ATOM 0 HB3 ASP A2969 -0.806 12.297 -12.909 1.00 0.00 H new ATOM 256 N PRO A2970 -3.218 10.586 -11.871 1.00 0.00 N ATOM 257 CA PRO A2970 -3.228 9.270 -11.171 1.00 0.00 C ATOM 258 C PRO A2970 -1.815 8.782 -10.804 1.00 0.00 C ATOM 259 O PRO A2970 -1.679 7.820 -10.051 1.00 0.00 O ATOM 260 CB PRO A2970 -3.894 8.322 -12.198 1.00 0.00 C ATOM 261 CG PRO A2970 -3.583 8.951 -13.519 1.00 0.00 C ATOM 262 CD PRO A2970 -3.682 10.444 -13.281 1.00 0.00 C ATOM 0 HA PRO A2970 -3.755 9.320 -10.218 1.00 0.00 H new ATOM 0 HB2 PRO A2970 -3.490 7.312 -12.131 1.00 0.00 H new ATOM 0 HB3 PRO A2970 -4.969 8.247 -12.034 1.00 0.00 H new ATOM 0 HG2 PRO A2970 -2.587 8.672 -13.863 1.00 0.00 H new ATOM 0 HG3 PRO A2970 -4.287 8.627 -14.285 1.00 0.00 H new ATOM 0 HD2 PRO A2970 -3.054 11.006 -13.972 1.00 0.00 H new ATOM 0 HD3 PRO A2970 -4.702 10.807 -13.410 1.00 0.00 H new ATOM 270 N SER A2971 -0.785 9.462 -11.347 1.00 0.00 N ATOM 271 CA SER A2971 0.625 9.134 -11.113 1.00 0.00 C ATOM 272 C SER A2971 0.955 9.146 -9.612 1.00 0.00 C ATOM 273 O SER A2971 1.323 8.111 -9.061 1.00 0.00 O ATOM 274 CB SER A2971 1.507 10.128 -11.896 1.00 0.00 C ATOM 275 OG SER A2971 1.142 10.143 -13.266 1.00 0.00 O ATOM 0 H SER A2971 -0.916 10.262 -11.966 1.00 0.00 H new ATOM 0 HA SER A2971 0.827 8.124 -11.470 1.00 0.00 H new ATOM 0 HB2 SER A2971 1.401 11.128 -11.474 1.00 0.00 H new ATOM 0 HB3 SER A2971 2.556 9.849 -11.796 1.00 0.00 H new ATOM 0 HG SER A2971 1.709 10.780 -13.749 1.00 0.00 H new ATOM 281 N PHE A2972 0.747 10.302 -8.947 1.00 0.00 N ATOM 282 CA PHE A2972 1.046 10.452 -7.504 1.00 0.00 C ATOM 283 C PHE A2972 -0.021 9.758 -6.632 1.00 0.00 C ATOM 284 O PHE A2972 0.260 9.388 -5.494 1.00 0.00 O ATOM 285 CB PHE A2972 1.208 11.950 -7.113 1.00 0.00 C ATOM 286 CG PHE A2972 -0.029 12.839 -7.283 1.00 0.00 C ATOM 287 CD1 PHE A2972 -0.955 13.001 -6.242 1.00 0.00 C ATOM 288 CD2 PHE A2972 -0.268 13.517 -8.479 1.00 0.00 C ATOM 289 CE1 PHE A2972 -2.061 13.808 -6.399 1.00 0.00 C ATOM 290 CE2 PHE A2972 -1.374 14.324 -8.626 1.00 0.00 C ATOM 291 CZ PHE A2972 -2.275 14.468 -7.591 1.00 0.00 C ATOM 0 H PHE A2972 0.374 11.145 -9.384 1.00 0.00 H new ATOM 0 HA PHE A2972 1.998 9.956 -7.314 1.00 0.00 H new ATOM 0 HB2 PHE A2972 1.522 11.998 -6.070 1.00 0.00 H new ATOM 0 HB3 PHE A2972 2.016 12.373 -7.709 1.00 0.00 H new ATOM 0 HD1 PHE A2972 -0.799 12.487 -5.305 1.00 0.00 H new ATOM 0 HD2 PHE A2972 0.424 13.407 -9.301 1.00 0.00 H new ATOM 0 HE1 PHE A2972 -2.762 13.924 -5.586 1.00 0.00 H new ATOM 0 HE2 PHE A2972 -1.537 14.847 -9.557 1.00 0.00 H new ATOM 0 HZ PHE A2972 -3.145 15.096 -7.714 1.00 0.00 H new ATOM 301 N LEU A2973 -1.243 9.586 -7.177 1.00 0.00 N ATOM 302 CA LEU A2973 -2.345 8.914 -6.459 1.00 0.00 C ATOM 303 C LEU A2973 -2.048 7.405 -6.278 1.00 0.00 C ATOM 304 O LEU A2973 -2.431 6.802 -5.268 1.00 0.00 O ATOM 305 CB LEU A2973 -3.684 9.094 -7.230 1.00 0.00 C ATOM 306 CG LEU A2973 -4.183 10.562 -7.438 1.00 0.00 C ATOM 307 CD1 LEU A2973 -5.404 10.625 -8.382 1.00 0.00 C ATOM 308 CD2 LEU A2973 -4.504 11.251 -6.095 1.00 0.00 C ATOM 0 H LEU A2973 -1.491 9.904 -8.114 1.00 0.00 H new ATOM 0 HA LEU A2973 -2.433 9.374 -5.475 1.00 0.00 H new ATOM 0 HB2 LEU A2973 -3.578 8.629 -8.210 1.00 0.00 H new ATOM 0 HB3 LEU A2973 -4.460 8.543 -6.698 1.00 0.00 H new ATOM 0 HG LEU A2973 -3.365 11.105 -7.910 1.00 0.00 H new ATOM 0 HD11 LEU A2973 -5.719 11.662 -8.500 1.00 0.00 H new ATOM 0 HD12 LEU A2973 -5.133 10.215 -9.355 1.00 0.00 H new ATOM 0 HD13 LEU A2973 -6.222 10.043 -7.958 1.00 0.00 H new ATOM 0 HD21 LEU A2973 -4.847 12.269 -6.281 1.00 0.00 H new ATOM 0 HD22 LEU A2973 -5.285 10.694 -5.578 1.00 0.00 H new ATOM 0 HD23 LEU A2973 -3.607 11.278 -5.476 1.00 0.00 H new ATOM 320 N ALA A2974 -1.390 6.812 -7.294 1.00 0.00 N ATOM 321 CA ALA A2974 -1.056 5.372 -7.326 1.00 0.00 C ATOM 322 C ALA A2974 0.359 5.091 -6.778 1.00 0.00 C ATOM 323 O ALA A2974 0.610 4.020 -6.209 1.00 0.00 O ATOM 324 CB ALA A2974 -1.206 4.832 -8.761 1.00 0.00 C ATOM 0 H ALA A2974 -1.073 7.320 -8.120 1.00 0.00 H new ATOM 0 HA ALA A2974 -1.756 4.852 -6.672 1.00 0.00 H new ATOM 0 HB1 ALA A2974 -0.959 3.771 -8.778 1.00 0.00 H new ATOM 0 HB2 ALA A2974 -2.234 4.970 -9.096 1.00 0.00 H new ATOM 0 HB3 ALA A2974 -0.532 5.372 -9.425 1.00 0.00 H new ATOM 330 N ALA A2975 1.279 6.056 -6.965 1.00 0.00 N ATOM 331 CA ALA A2975 2.703 5.900 -6.571 1.00 0.00 C ATOM 332 C ALA A2975 2.911 6.170 -5.079 1.00 0.00 C ATOM 333 O ALA A2975 3.679 5.472 -4.409 1.00 0.00 O ATOM 334 CB ALA A2975 3.601 6.830 -7.405 1.00 0.00 C ATOM 0 H ALA A2975 1.065 6.959 -7.389 1.00 0.00 H new ATOM 0 HA ALA A2975 2.982 4.865 -6.767 1.00 0.00 H new ATOM 0 HB1 ALA A2975 4.640 6.701 -7.101 1.00 0.00 H new ATOM 0 HB2 ALA A2975 3.498 6.583 -8.462 1.00 0.00 H new ATOM 0 HB3 ALA A2975 3.302 7.866 -7.243 1.00 0.00 H new ATOM 340 N LEU A2976 2.212 7.191 -4.579 1.00 0.00 N ATOM 341 CA LEU A2976 2.392 7.721 -3.215 1.00 0.00 C ATOM 342 C LEU A2976 1.176 7.334 -2.327 1.00 0.00 C ATOM 343 O LEU A2976 0.123 6.985 -2.878 1.00 0.00 O ATOM 344 CB LEU A2976 2.538 9.257 -3.311 1.00 0.00 C ATOM 345 CG LEU A2976 3.629 9.808 -4.273 1.00 0.00 C ATOM 346 CD1 LEU A2976 3.566 11.349 -4.336 1.00 0.00 C ATOM 347 CD2 LEU A2976 5.043 9.312 -3.881 1.00 0.00 C ATOM 0 H LEU A2976 1.495 7.683 -5.112 1.00 0.00 H new ATOM 0 HA LEU A2976 3.285 7.296 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A2976 1.577 9.669 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A2976 2.744 9.640 -2.312 1.00 0.00 H new ATOM 0 HG LEU A2976 3.424 9.419 -5.270 1.00 0.00 H new ATOM 0 HD11 LEU A2976 4.336 11.717 -5.014 1.00 0.00 H new ATOM 0 HD12 LEU A2976 2.586 11.659 -4.698 1.00 0.00 H new ATOM 0 HD13 LEU A2976 3.731 11.761 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A2976 5.777 9.719 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A2976 5.278 9.645 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU A2976 5.070 8.223 -3.920 1.00 0.00 H new ATOM 359 N PRO A2977 1.290 7.375 -0.942 1.00 0.00 N ATOM 360 CA PRO A2977 0.164 7.003 -0.018 1.00 0.00 C ATOM 361 C PRO A2977 -1.046 7.974 -0.076 1.00 0.00 C ATOM 362 O PRO A2977 -1.060 8.938 -0.850 1.00 0.00 O ATOM 363 CB PRO A2977 0.832 7.032 1.382 1.00 0.00 C ATOM 364 CG PRO A2977 1.975 7.992 1.234 1.00 0.00 C ATOM 365 CD PRO A2977 2.511 7.766 -0.164 1.00 0.00 C ATOM 0 HA PRO A2977 -0.268 6.040 -0.289 1.00 0.00 H new ATOM 0 HB2 PRO A2977 0.132 7.364 2.149 1.00 0.00 H new ATOM 0 HB3 PRO A2977 1.181 6.042 1.676 1.00 0.00 H new ATOM 0 HG2 PRO A2977 1.643 9.022 1.366 1.00 0.00 H new ATOM 0 HG3 PRO A2977 2.744 7.807 1.984 1.00 0.00 H new ATOM 0 HD2 PRO A2977 2.974 8.666 -0.568 1.00 0.00 H new ATOM 0 HD3 PRO A2977 3.268 6.982 -0.183 1.00 0.00 H new ATOM 373 N ASP A2978 -2.059 7.706 0.770 1.00 0.00 N ATOM 374 CA ASP A2978 -3.285 8.522 0.829 1.00 0.00 C ATOM 375 C ASP A2978 -3.033 9.902 1.487 1.00 0.00 C ATOM 376 O ASP A2978 -3.705 10.869 1.143 1.00 0.00 O ATOM 377 CB ASP A2978 -4.420 7.762 1.561 1.00 0.00 C ATOM 378 CG ASP A2978 -5.720 8.588 1.732 1.00 0.00 C ATOM 379 OD1 ASP A2978 -6.304 9.025 0.712 1.00 0.00 O ATOM 380 OD2 ASP A2978 -6.152 8.809 2.890 1.00 0.00 O ATOM 0 H ASP A2978 -2.051 6.925 1.426 1.00 0.00 H new ATOM 0 HA ASP A2978 -3.599 8.706 -0.198 1.00 0.00 H new ATOM 0 HB2 ASP A2978 -4.650 6.851 1.008 1.00 0.00 H new ATOM 0 HB3 ASP A2978 -4.064 7.456 2.545 1.00 0.00 H new ATOM 385 N ASP A2979 -2.031 9.980 2.378 1.00 0.00 N ATOM 386 CA ASP A2979 -1.795 11.162 3.247 1.00 0.00 C ATOM 387 C ASP A2979 -1.552 12.455 2.435 1.00 0.00 C ATOM 388 O ASP A2979 -2.254 13.473 2.610 1.00 0.00 O ATOM 389 CB ASP A2979 -0.591 10.893 4.182 1.00 0.00 C ATOM 390 CG ASP A2979 -0.322 12.048 5.163 1.00 0.00 C ATOM 391 OD1 ASP A2979 -1.041 12.154 6.177 1.00 0.00 O ATOM 392 OD2 ASP A2979 0.607 12.851 4.923 1.00 0.00 O ATOM 0 H ASP A2979 -1.357 9.228 2.522 1.00 0.00 H new ATOM 0 HA ASP A2979 -2.699 11.317 3.836 1.00 0.00 H new ATOM 0 HB2 ASP A2979 -0.774 9.979 4.747 1.00 0.00 H new ATOM 0 HB3 ASP A2979 0.300 10.722 3.578 1.00 0.00 H new ATOM 397 N ILE A2980 -0.581 12.399 1.522 1.00 0.00 N ATOM 398 CA ILE A2980 -0.234 13.562 0.689 1.00 0.00 C ATOM 399 C ILE A2980 -1.244 13.724 -0.468 1.00 0.00 C ATOM 400 O ILE A2980 -1.493 14.842 -0.889 1.00 0.00 O ATOM 401 CB ILE A2980 1.251 13.563 0.143 1.00 0.00 C ATOM 402 CG1 ILE A2980 1.441 12.600 -1.075 1.00 0.00 C ATOM 403 CG2 ILE A2980 2.253 13.244 1.283 1.00 0.00 C ATOM 404 CD1 ILE A2980 1.181 11.144 -0.771 1.00 0.00 C ATOM 0 H ILE A2980 -0.021 11.567 1.338 1.00 0.00 H new ATOM 0 HA ILE A2980 -0.295 14.423 1.354 1.00 0.00 H new ATOM 0 HB ILE A2980 1.460 14.567 -0.225 1.00 0.00 H new ATOM 0 HG12 ILE A2980 0.774 12.915 -1.878 1.00 0.00 H new ATOM 0 HG13 ILE A2980 2.460 12.704 -1.448 1.00 0.00 H new ATOM 0 HG21 ILE A2980 3.268 13.249 0.887 1.00 0.00 H new ATOM 0 HG22 ILE A2980 2.165 13.997 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A2980 2.031 12.261 1.698 1.00 0.00 H new ATOM 0 HD11 ILE A2980 1.336 10.551 -1.672 1.00 0.00 H new ATOM 0 HD12 ILE A2980 1.865 10.807 0.008 1.00 0.00 H new ATOM 0 HD13 ILE A2980 0.153 11.022 -0.429 1.00 0.00 H new ATOM 416 N ARG A2981 -1.853 12.608 -0.941 1.00 0.00 N ATOM 417 CA ARG A2981 -2.767 12.651 -2.103 1.00 0.00 C ATOM 418 C ARG A2981 -4.068 13.394 -1.718 1.00 0.00 C ATOM 419 O ARG A2981 -4.625 14.146 -2.527 1.00 0.00 O ATOM 420 CB ARG A2981 -3.017 11.205 -2.695 1.00 0.00 C ATOM 421 CG ARG A2981 -4.165 10.328 -2.089 1.00 0.00 C ATOM 422 CD ARG A2981 -5.611 10.680 -2.571 1.00 0.00 C ATOM 423 NE ARG A2981 -6.286 9.554 -3.270 1.00 0.00 N ATOM 424 CZ ARG A2981 -7.434 8.964 -2.879 1.00 0.00 C ATOM 425 NH1 ARG A2981 -7.933 9.202 -1.672 1.00 0.00 N ATOM 426 NH2 ARG A2981 -8.039 8.089 -3.677 1.00 0.00 N ATOM 0 H ARG A2981 -1.728 11.679 -0.539 1.00 0.00 H new ATOM 0 HA ARG A2981 -2.301 13.216 -2.910 1.00 0.00 H new ATOM 0 HB2 ARG A2981 -3.214 11.315 -3.761 1.00 0.00 H new ATOM 0 HB3 ARG A2981 -2.087 10.644 -2.599 1.00 0.00 H new ATOM 0 HG2 ARG A2981 -3.965 9.284 -2.329 1.00 0.00 H new ATOM 0 HG3 ARG A2981 -4.131 10.417 -1.003 1.00 0.00 H new ATOM 0 HD2 ARG A2981 -6.211 10.977 -1.711 1.00 0.00 H new ATOM 0 HD3 ARG A2981 -5.565 11.539 -3.240 1.00 0.00 H new ATOM 0 HE ARG A2981 -5.843 9.198 -4.117 1.00 0.00 H new ATOM 0 HH11 ARG A2981 -7.448 9.834 -1.035 1.00 0.00 H new ATOM 0 HH12 ARG A2981 -8.802 8.753 -1.382 1.00 0.00 H new ATOM 0 HH21 ARG A2981 -7.635 7.863 -4.586 1.00 0.00 H new ATOM 0 HH22 ARG A2981 -8.907 7.643 -3.380 1.00 0.00 H new ATOM 440 N ARG A2982 -4.515 13.184 -0.462 1.00 0.00 N ATOM 441 CA ARG A2982 -5.742 13.801 0.073 1.00 0.00 C ATOM 442 C ARG A2982 -5.491 15.294 0.377 1.00 0.00 C ATOM 443 O ARG A2982 -6.353 16.129 0.086 1.00 0.00 O ATOM 444 CB ARG A2982 -6.240 13.047 1.347 1.00 0.00 C ATOM 445 CG ARG A2982 -5.305 13.202 2.559 1.00 0.00 C ATOM 446 CD ARG A2982 -5.663 12.342 3.762 1.00 0.00 C ATOM 447 NE ARG A2982 -4.681 12.545 4.847 1.00 0.00 N ATOM 448 CZ ARG A2982 -4.902 12.312 6.149 1.00 0.00 C ATOM 449 NH1 ARG A2982 -6.071 11.862 6.571 1.00 0.00 N ATOM 450 NH2 ARG A2982 -3.928 12.529 7.023 1.00 0.00 N ATOM 0 H ARG A2982 -4.035 12.582 0.207 1.00 0.00 H new ATOM 0 HA ARG A2982 -6.526 13.725 -0.680 1.00 0.00 H new ATOM 0 HB2 ARG A2982 -7.231 13.416 1.613 1.00 0.00 H new ATOM 0 HB3 ARG A2982 -6.346 11.988 1.114 1.00 0.00 H new ATOM 0 HG2 ARG A2982 -4.289 12.960 2.248 1.00 0.00 H new ATOM 0 HG3 ARG A2982 -5.304 14.248 2.866 1.00 0.00 H new ATOM 0 HD2 ARG A2982 -6.663 12.596 4.115 1.00 0.00 H new ATOM 0 HD3 ARG A2982 -5.684 11.291 3.473 1.00 0.00 H new ATOM 0 HE ARG A2982 -3.758 12.891 4.584 1.00 0.00 H new ATOM 0 HH11 ARG A2982 -6.821 11.687 5.903 1.00 0.00 H new ATOM 0 HH12 ARG A2982 -6.223 11.690 7.565 1.00 0.00 H new ATOM 0 HH21 ARG A2982 -3.022 12.870 6.702 1.00 0.00 H new ATOM 0 HH22 ARG A2982 -4.085 12.355 8.016 1.00 0.00 H new ATOM 464 N GLU A2983 -4.289 15.635 0.942 1.00 0.00 N ATOM 465 CA GLU A2983 -3.982 17.035 1.308 1.00 0.00 C ATOM 466 C GLU A2983 -3.801 17.898 0.048 1.00 0.00 C ATOM 467 O GLU A2983 -4.353 18.983 -0.012 1.00 0.00 O ATOM 468 CB GLU A2983 -2.756 17.155 2.254 1.00 0.00 C ATOM 469 CG GLU A2983 -1.397 16.819 1.618 1.00 0.00 C ATOM 470 CD GLU A2983 -0.219 16.825 2.602 1.00 0.00 C ATOM 471 OE1 GLU A2983 -0.256 16.055 3.583 1.00 0.00 O ATOM 472 OE2 GLU A2983 0.746 17.595 2.409 1.00 0.00 O ATOM 0 H GLU A2983 -3.543 14.970 1.145 1.00 0.00 H new ATOM 0 HA GLU A2983 -4.838 17.412 1.868 1.00 0.00 H new ATOM 0 HB2 GLU A2983 -2.715 18.173 2.641 1.00 0.00 H new ATOM 0 HB3 GLU A2983 -2.911 16.496 3.108 1.00 0.00 H new ATOM 0 HG2 GLU A2983 -1.461 15.836 1.152 1.00 0.00 H new ATOM 0 HG3 GLU A2983 -1.194 17.536 0.823 1.00 0.00 H new ATOM 479 N VAL A2984 -3.078 17.384 -0.982 1.00 0.00 N ATOM 480 CA VAL A2984 -2.864 18.131 -2.247 1.00 0.00 C ATOM 481 C VAL A2984 -4.203 18.319 -2.997 1.00 0.00 C ATOM 482 O VAL A2984 -4.420 19.340 -3.635 1.00 0.00 O ATOM 483 CB VAL A2984 -1.787 17.452 -3.190 1.00 0.00 C ATOM 484 CG1 VAL A2984 -0.423 17.302 -2.472 1.00 0.00 C ATOM 485 CG2 VAL A2984 -2.278 16.098 -3.757 1.00 0.00 C ATOM 0 H VAL A2984 -2.638 16.464 -0.961 1.00 0.00 H new ATOM 0 HA VAL A2984 -2.466 19.108 -1.972 1.00 0.00 H new ATOM 0 HB VAL A2984 -1.644 18.119 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A2984 0.293 16.833 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A2984 -0.056 18.286 -2.180 1.00 0.00 H new ATOM 0 HG13 VAL A2984 -0.545 16.682 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A2984 -1.506 15.670 -4.397 1.00 0.00 H new ATOM 0 HG22 VAL A2984 -2.488 15.414 -2.935 1.00 0.00 H new ATOM 0 HG23 VAL A2984 -3.186 16.255 -4.339 1.00 0.00 H new ATOM 495 N LEU A2985 -5.106 17.334 -2.867 1.00 0.00 N ATOM 496 CA LEU A2985 -6.454 17.387 -3.461 1.00 0.00 C ATOM 497 C LEU A2985 -7.288 18.543 -2.848 1.00 0.00 C ATOM 498 O LEU A2985 -7.859 19.375 -3.567 1.00 0.00 O ATOM 499 CB LEU A2985 -7.154 16.032 -3.231 1.00 0.00 C ATOM 500 CG LEU A2985 -8.527 15.822 -3.941 1.00 0.00 C ATOM 501 CD1 LEU A2985 -8.368 15.834 -5.480 1.00 0.00 C ATOM 502 CD2 LEU A2985 -9.213 14.522 -3.457 1.00 0.00 C ATOM 0 H LEU A2985 -4.923 16.476 -2.346 1.00 0.00 H new ATOM 0 HA LEU A2985 -6.367 17.578 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A2985 -6.478 15.241 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A2985 -7.302 15.904 -2.159 1.00 0.00 H new ATOM 0 HG LEU A2985 -9.173 16.657 -3.670 1.00 0.00 H new ATOM 0 HD11 LEU A2985 -9.341 15.685 -5.948 1.00 0.00 H new ATOM 0 HD12 LEU A2985 -7.956 16.793 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A2985 -7.694 15.032 -5.782 1.00 0.00 H new ATOM 0 HD21 LEU A2985 -10.168 14.402 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A2985 -8.573 13.668 -3.679 1.00 0.00 H new ATOM 0 HD23 LEU A2985 -9.383 14.579 -2.382 1.00 0.00 H new ATOM 514 N GLN A2986 -7.302 18.598 -1.510 1.00 0.00 N ATOM 515 CA GLN A2986 -8.128 19.557 -0.751 1.00 0.00 C ATOM 516 C GLN A2986 -7.504 20.969 -0.744 1.00 0.00 C ATOM 517 O GLN A2986 -8.229 21.960 -0.815 1.00 0.00 O ATOM 518 CB GLN A2986 -8.338 19.042 0.693 1.00 0.00 C ATOM 519 CG GLN A2986 -9.093 17.696 0.785 1.00 0.00 C ATOM 520 CD GLN A2986 -9.261 17.162 2.213 1.00 0.00 C ATOM 521 OE1 GLN A2986 -10.260 16.510 2.530 1.00 0.00 O ATOM 522 NE2 GLN A2986 -8.279 17.398 3.078 1.00 0.00 N ATOM 0 H GLN A2986 -6.743 17.981 -0.920 1.00 0.00 H new ATOM 0 HA GLN A2986 -9.096 19.636 -1.246 1.00 0.00 H new ATOM 0 HB2 GLN A2986 -7.365 18.933 1.172 1.00 0.00 H new ATOM 0 HB3 GLN A2986 -8.889 19.794 1.258 1.00 0.00 H new ATOM 0 HG2 GLN A2986 -10.079 17.815 0.336 1.00 0.00 H new ATOM 0 HG3 GLN A2986 -8.560 16.953 0.192 1.00 0.00 H new ATOM 0 HE21 GLN A2986 -7.464 17.940 2.789 1.00 0.00 H new ATOM 0 HE22 GLN A2986 -8.340 17.037 4.030 1.00 0.00 H new ATOM 531 N ASN A2987 -6.163 21.050 -0.684 1.00 0.00 N ATOM 532 CA ASN A2987 -5.441 22.342 -0.616 1.00 0.00 C ATOM 533 C ASN A2987 -5.497 23.058 -1.971 1.00 0.00 C ATOM 534 O ASN A2987 -5.937 24.209 -2.051 1.00 0.00 O ATOM 535 CB ASN A2987 -3.966 22.147 -0.169 1.00 0.00 C ATOM 536 CG ASN A2987 -3.799 21.656 1.280 1.00 0.00 C ATOM 537 OD1 ASN A2987 -4.629 21.923 2.148 1.00 0.00 O ATOM 538 ND2 ASN A2987 -2.717 20.927 1.550 1.00 0.00 N ATOM 0 H ASN A2987 -5.551 20.234 -0.681 1.00 0.00 H new ATOM 0 HA ASN A2987 -5.937 22.961 0.132 1.00 0.00 H new ATOM 0 HB2 ASN A2987 -3.488 21.432 -0.839 1.00 0.00 H new ATOM 0 HB3 ASN A2987 -3.437 23.093 -0.282 1.00 0.00 H new ATOM 0 HD21 ASN A2987 -2.561 20.576 2.495 1.00 0.00 H new ATOM 0 HD22 ASN A2987 -2.044 20.720 0.812 1.00 0.00 H new ATOM 545 N GLN A2988 -5.078 22.345 -3.035 1.00 0.00 N ATOM 546 CA GLN A2988 -4.994 22.899 -4.401 1.00 0.00 C ATOM 547 C GLN A2988 -6.390 23.227 -4.961 1.00 0.00 C ATOM 548 O GLN A2988 -6.652 24.368 -5.363 1.00 0.00 O ATOM 549 CB GLN A2988 -4.265 21.898 -5.336 1.00 0.00 C ATOM 550 CG GLN A2988 -2.767 21.696 -5.027 1.00 0.00 C ATOM 551 CD GLN A2988 -2.095 20.604 -5.876 1.00 0.00 C ATOM 552 OE1 GLN A2988 -0.915 20.706 -6.213 1.00 0.00 O ATOM 553 NE2 GLN A2988 -2.816 19.531 -6.198 1.00 0.00 N ATOM 0 H GLN A2988 -4.788 21.369 -2.972 1.00 0.00 H new ATOM 0 HA GLN A2988 -4.426 23.828 -4.354 1.00 0.00 H new ATOM 0 HB2 GLN A2988 -4.768 20.933 -5.274 1.00 0.00 H new ATOM 0 HB3 GLN A2988 -4.366 22.244 -6.365 1.00 0.00 H new ATOM 0 HG2 GLN A2988 -2.243 22.639 -5.186 1.00 0.00 H new ATOM 0 HG3 GLN A2988 -2.655 21.443 -3.973 1.00 0.00 H new ATOM 0 HE21 GLN A2988 -3.792 19.467 -5.909 1.00 0.00 H new ATOM 0 HE22 GLN A2988 -2.392 18.774 -6.734 1.00 0.00 H new ATOM 562 N LEU A2989 -7.287 22.224 -4.961 1.00 0.00 N ATOM 563 CA LEU A2989 -8.615 22.335 -5.597 1.00 0.00 C ATOM 564 C LEU A2989 -9.641 22.904 -4.623 1.00 0.00 C ATOM 565 O LEU A2989 -10.346 23.864 -4.955 1.00 0.00 O ATOM 566 CB LEU A2989 -9.103 20.965 -6.144 1.00 0.00 C ATOM 567 CG LEU A2989 -8.219 20.291 -7.247 1.00 0.00 C ATOM 568 CD1 LEU A2989 -7.853 21.279 -8.374 1.00 0.00 C ATOM 569 CD2 LEU A2989 -6.970 19.606 -6.647 1.00 0.00 C ATOM 0 H LEU A2989 -7.115 21.319 -4.523 1.00 0.00 H new ATOM 0 HA LEU A2989 -8.512 23.020 -6.439 1.00 0.00 H new ATOM 0 HB2 LEU A2989 -9.185 20.274 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A2989 -10.107 21.098 -6.547 1.00 0.00 H new ATOM 0 HG LEU A2989 -8.822 19.504 -7.701 1.00 0.00 H new ATOM 0 HD11 LEU A2989 -7.240 20.771 -9.118 1.00 0.00 H new ATOM 0 HD12 LEU A2989 -8.764 21.647 -8.845 1.00 0.00 H new ATOM 0 HD13 LEU A2989 -7.296 22.118 -7.956 1.00 0.00 H new ATOM 0 HD21 LEU A2989 -6.385 19.151 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A2989 -6.362 20.348 -6.129 1.00 0.00 H new ATOM 0 HD23 LEU A2989 -7.281 18.835 -5.942 1.00 0.00 H new ATOM 581 N GLY A2990 -9.688 22.335 -3.401 1.00 0.00 N ATOM 582 CA GLY A2990 -10.702 22.704 -2.408 1.00 0.00 C ATOM 583 C GLY A2990 -11.886 21.759 -2.361 1.00 0.00 C ATOM 584 O GLY A2990 -12.754 21.914 -1.491 1.00 0.00 O ATOM 0 H GLY A2990 -9.034 21.620 -3.084 1.00 0.00 H new ATOM 0 HA2 GLY A2990 -10.237 22.738 -1.423 1.00 0.00 H new ATOM 0 HA3 GLY A2990 -11.061 23.710 -2.626 1.00 0.00 H new ATOM 588 N ILE A2991 -11.922 20.775 -3.288 1.00 0.00 N ATOM 589 CA ILE A2991 -13.017 19.789 -3.384 1.00 0.00 C ATOM 590 C ILE A2991 -13.107 18.953 -2.087 1.00 0.00 C ATOM 591 O ILE A2991 -12.090 18.415 -1.610 1.00 0.00 O ATOM 592 CB ILE A2991 -12.866 18.876 -4.686 1.00 0.00 C ATOM 593 CG1 ILE A2991 -14.117 17.924 -4.934 1.00 0.00 C ATOM 594 CG2 ILE A2991 -11.527 18.083 -4.687 1.00 0.00 C ATOM 595 CD1 ILE A2991 -14.114 16.564 -4.224 1.00 0.00 C ATOM 0 H ILE A2991 -11.193 20.644 -3.989 1.00 0.00 H new ATOM 0 HA ILE A2991 -13.959 20.327 -3.492 1.00 0.00 H new ATOM 0 HB ILE A2991 -12.840 19.564 -5.531 1.00 0.00 H new ATOM 0 HG12 ILE A2991 -15.016 18.461 -4.631 1.00 0.00 H new ATOM 0 HG13 ILE A2991 -14.198 17.745 -6.006 1.00 0.00 H new ATOM 0 HG21 ILE A2991 -11.465 17.475 -5.590 1.00 0.00 H new ATOM 0 HG22 ILE A2991 -10.691 18.781 -4.661 1.00 0.00 H new ATOM 0 HG23 ILE A2991 -11.487 17.436 -3.811 1.00 0.00 H new ATOM 0 HD11 ILE A2991 -15.022 16.018 -4.480 1.00 0.00 H new ATOM 0 HD12 ILE A2991 -13.244 15.990 -4.542 1.00 0.00 H new ATOM 0 HD13 ILE A2991 -14.074 16.717 -3.145 1.00 0.00 H new ATOM 607 N ARG A2992 -14.314 18.904 -1.493 1.00 0.00 N ATOM 608 CA ARG A2992 -14.589 18.107 -0.293 1.00 0.00 C ATOM 609 C ARG A2992 -15.442 16.880 -0.691 1.00 0.00 C ATOM 610 O ARG A2992 -16.382 17.014 -1.480 1.00 0.00 O ATOM 611 CB ARG A2992 -15.310 18.965 0.803 1.00 0.00 C ATOM 612 CG ARG A2992 -16.810 19.264 0.559 1.00 0.00 C ATOM 613 CD ARG A2992 -17.416 20.217 1.605 1.00 0.00 C ATOM 614 NE ARG A2992 -17.124 19.805 2.998 1.00 0.00 N ATOM 615 CZ ARG A2992 -17.104 20.641 4.055 1.00 0.00 C ATOM 616 NH1 ARG A2992 -17.338 21.933 3.904 1.00 0.00 N ATOM 617 NH2 ARG A2992 -16.836 20.180 5.259 1.00 0.00 N ATOM 0 H ARG A2992 -15.125 19.419 -1.836 1.00 0.00 H new ATOM 0 HA ARG A2992 -13.647 17.767 0.137 1.00 0.00 H new ATOM 0 HB2 ARG A2992 -15.214 18.450 1.759 1.00 0.00 H new ATOM 0 HB3 ARG A2992 -14.782 19.914 0.897 1.00 0.00 H new ATOM 0 HG2 ARG A2992 -16.930 19.700 -0.433 1.00 0.00 H new ATOM 0 HG3 ARG A2992 -17.366 18.327 0.565 1.00 0.00 H new ATOM 0 HD2 ARG A2992 -17.029 21.223 1.440 1.00 0.00 H new ATOM 0 HD3 ARG A2992 -18.496 20.264 1.464 1.00 0.00 H new ATOM 0 HE ARG A2992 -16.924 18.820 3.169 1.00 0.00 H new ATOM 0 HH11 ARG A2992 -17.537 22.310 2.978 1.00 0.00 H new ATOM 0 HH12 ARG A2992 -17.319 22.553 4.714 1.00 0.00 H new ATOM 0 HH21 ARG A2992 -16.643 19.188 5.394 1.00 0.00 H new ATOM 0 HH22 ARG A2992 -16.822 20.815 6.057 1.00 0.00 H new