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= 0.00451 USER MOD Single : A2986 GLN : amide:sc= 0.199 X(o=0.2,f=0) USER MOD Single : A2987 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.5!) USER MOD Single : A2988 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 81 N ASP A2957 -8.088 7.477 -13.249 1.00 0.00 N ATOM 82 CA ASP A2957 -7.931 8.135 -14.561 1.00 0.00 C ATOM 83 C ASP A2957 -8.958 9.283 -14.730 1.00 0.00 C ATOM 84 O ASP A2957 -10.162 9.052 -14.564 1.00 0.00 O ATOM 85 CB ASP A2957 -8.105 7.057 -15.673 1.00 0.00 C ATOM 86 CG ASP A2957 -8.109 7.593 -17.119 1.00 0.00 C ATOM 87 OD1 ASP A2957 -7.274 8.457 -17.458 1.00 0.00 O ATOM 88 OD2 ASP A2957 -8.952 7.140 -17.925 1.00 0.00 O ATOM 0 HA ASP A2957 -6.939 8.581 -14.636 1.00 0.00 H new ATOM 0 HB2 ASP A2957 -7.301 6.327 -15.576 1.00 0.00 H new ATOM 0 HB3 ASP A2957 -9.041 6.526 -15.498 1.00 0.00 H new ATOM 93 N PRO A2958 -8.504 10.549 -15.046 1.00 0.00 N ATOM 94 CA PRO A2958 -9.424 11.692 -15.309 1.00 0.00 C ATOM 95 C PRO A2958 -10.209 11.524 -16.627 1.00 0.00 C ATOM 96 O PRO A2958 -11.318 12.049 -16.772 1.00 0.00 O ATOM 97 CB PRO A2958 -8.469 12.917 -15.356 1.00 0.00 C ATOM 98 CG PRO A2958 -7.157 12.343 -15.798 1.00 0.00 C ATOM 99 CD PRO A2958 -7.077 10.970 -15.158 1.00 0.00 C ATOM 0 HA PRO A2958 -10.200 11.786 -14.549 1.00 0.00 H new ATOM 0 HB2 PRO A2958 -8.827 13.675 -16.053 1.00 0.00 H new ATOM 0 HB3 PRO A2958 -8.386 13.395 -14.380 1.00 0.00 H new ATOM 0 HG2 PRO A2958 -7.106 12.273 -16.885 1.00 0.00 H new ATOM 0 HG3 PRO A2958 -6.326 12.973 -15.480 1.00 0.00 H new ATOM 0 HD2 PRO A2958 -6.501 10.276 -15.770 1.00 0.00 H new ATOM 0 HD3 PRO A2958 -6.594 11.011 -14.182 1.00 0.00 H new ATOM 107 N LEU A2959 -9.624 10.764 -17.574 1.00 0.00 N ATOM 108 CA LEU A2959 -10.233 10.496 -18.888 1.00 0.00 C ATOM 109 C LEU A2959 -11.330 9.399 -18.783 1.00 0.00 C ATOM 110 O LEU A2959 -12.039 9.122 -19.754 1.00 0.00 O ATOM 111 CB LEU A2959 -9.120 10.098 -19.899 1.00 0.00 C ATOM 112 CG LEU A2959 -9.530 9.994 -21.408 1.00 0.00 C ATOM 113 CD1 LEU A2959 -9.988 11.359 -21.965 1.00 0.00 C ATOM 114 CD2 LEU A2959 -8.386 9.416 -22.261 1.00 0.00 C ATOM 0 H LEU A2959 -8.715 10.319 -17.447 1.00 0.00 H new ATOM 0 HA LEU A2959 -10.724 11.400 -19.247 1.00 0.00 H new ATOM 0 HB2 LEU A2959 -8.313 10.826 -19.817 1.00 0.00 H new ATOM 0 HB3 LEU A2959 -8.713 9.135 -19.592 1.00 0.00 H new ATOM 0 HG LEU A2959 -10.375 9.308 -21.465 1.00 0.00 H new ATOM 0 HD11 LEU A2959 -10.265 11.250 -23.014 1.00 0.00 H new ATOM 0 HD12 LEU A2959 -10.849 11.713 -21.398 1.00 0.00 H new ATOM 0 HD13 LEU A2959 -9.174 12.079 -21.878 1.00 0.00 H new ATOM 0 HD21 LEU A2959 -8.703 9.357 -23.302 1.00 0.00 H new ATOM 0 HD22 LEU A2959 -7.512 10.063 -22.184 1.00 0.00 H new ATOM 0 HD23 LEU A2959 -8.132 8.419 -21.902 1.00 0.00 H new ATOM 126 N ALA A2960 -11.476 8.797 -17.580 1.00 0.00 N ATOM 127 CA ALA A2960 -12.543 7.818 -17.283 1.00 0.00 C ATOM 128 C ALA A2960 -13.931 8.493 -17.173 1.00 0.00 C ATOM 129 O ALA A2960 -14.948 7.806 -17.023 1.00 0.00 O ATOM 130 CB ALA A2960 -12.213 7.052 -15.996 1.00 0.00 C ATOM 0 H ALA A2960 -10.857 8.977 -16.790 1.00 0.00 H new ATOM 0 HA ALA A2960 -12.590 7.115 -18.115 1.00 0.00 H new ATOM 0 HB1 ALA A2960 -13.006 6.334 -15.787 1.00 0.00 H new ATOM 0 HB2 ALA A2960 -11.268 6.524 -16.119 1.00 0.00 H new ATOM 0 HB3 ALA A2960 -12.131 7.754 -15.166 1.00 0.00 H new ATOM 136 N GLY A2961 -13.957 9.840 -17.239 1.00 0.00 N ATOM 137 CA GLY A2961 -15.206 10.611 -17.210 1.00 0.00 C ATOM 138 C GLY A2961 -15.582 11.101 -15.820 1.00 0.00 C ATOM 139 O GLY A2961 -16.561 11.841 -15.668 1.00 0.00 O ATOM 0 H GLY A2961 -13.118 10.415 -17.313 1.00 0.00 H new ATOM 0 HA2 GLY A2961 -15.110 11.469 -17.876 1.00 0.00 H new ATOM 0 HA3 GLY A2961 -16.015 9.993 -17.600 1.00 0.00 H new ATOM 143 N ILE A2962 -14.818 10.669 -14.799 1.00 0.00 N ATOM 144 CA ILE A2962 -15.010 11.109 -13.403 1.00 0.00 C ATOM 145 C ILE A2962 -14.445 12.524 -13.198 1.00 0.00 C ATOM 146 O ILE A2962 -13.426 12.893 -13.799 1.00 0.00 O ATOM 147 CB ILE A2962 -14.368 10.102 -12.370 1.00 0.00 C ATOM 148 CG1 ILE A2962 -12.873 9.793 -12.726 1.00 0.00 C ATOM 149 CG2 ILE A2962 -15.208 8.805 -12.295 1.00 0.00 C ATOM 150 CD1 ILE A2962 -12.159 8.840 -11.775 1.00 0.00 C ATOM 0 H ILE A2962 -14.052 10.006 -14.918 1.00 0.00 H new ATOM 0 HA ILE A2962 -16.084 11.127 -13.215 1.00 0.00 H new ATOM 0 HB ILE A2962 -14.373 10.572 -11.386 1.00 0.00 H new ATOM 0 HG12 ILE A2962 -12.836 9.372 -13.731 1.00 0.00 H new ATOM 0 HG13 ILE A2962 -12.322 10.733 -12.753 1.00 0.00 H new ATOM 0 HG21 ILE A2962 -14.755 8.119 -11.579 1.00 0.00 H new ATOM 0 HG22 ILE A2962 -16.222 9.046 -11.975 1.00 0.00 H new ATOM 0 HG23 ILE A2962 -15.240 8.335 -13.278 1.00 0.00 H new ATOM 0 HD11 ILE A2962 -11.132 8.693 -12.110 1.00 0.00 H new ATOM 0 HD12 ILE A2962 -12.156 9.263 -10.770 1.00 0.00 H new ATOM 0 HD13 ILE A2962 -12.678 7.881 -11.763 1.00 0.00 H new ATOM 162 N SER A2963 -15.127 13.303 -12.347 1.00 0.00 N ATOM 163 CA SER A2963 -14.787 14.710 -12.096 1.00 0.00 C ATOM 164 C SER A2963 -13.599 14.820 -11.119 1.00 0.00 C ATOM 165 O SER A2963 -13.780 14.909 -9.897 1.00 0.00 O ATOM 166 CB SER A2963 -16.026 15.461 -11.559 1.00 0.00 C ATOM 167 OG SER A2963 -17.131 15.337 -12.444 1.00 0.00 O ATOM 0 H SER A2963 -15.931 12.974 -11.813 1.00 0.00 H new ATOM 0 HA SER A2963 -14.483 15.174 -13.034 1.00 0.00 H new ATOM 0 HB2 SER A2963 -16.296 15.067 -10.579 1.00 0.00 H new ATOM 0 HB3 SER A2963 -15.784 16.515 -11.422 1.00 0.00 H new ATOM 0 HG SER A2963 -17.900 15.821 -12.077 1.00 0.00 H new ATOM 173 N LEU A2964 -12.382 14.748 -11.679 1.00 0.00 N ATOM 174 CA LEU A2964 -11.129 14.896 -10.918 1.00 0.00 C ATOM 175 C LEU A2964 -10.644 16.360 -10.955 1.00 0.00 C ATOM 176 O LEU A2964 -10.886 17.063 -11.941 1.00 0.00 O ATOM 177 CB LEU A2964 -10.046 13.938 -11.483 1.00 0.00 C ATOM 178 CG LEU A2964 -10.318 12.411 -11.312 1.00 0.00 C ATOM 179 CD1 LEU A2964 -9.064 11.585 -11.666 1.00 0.00 C ATOM 180 CD2 LEU A2964 -10.821 12.073 -9.884 1.00 0.00 C ATOM 0 H LEU A2964 -12.237 14.585 -12.675 1.00 0.00 H new ATOM 0 HA LEU A2964 -11.315 14.630 -9.878 1.00 0.00 H new ATOM 0 HB2 LEU A2964 -9.925 14.147 -12.546 1.00 0.00 H new ATOM 0 HB3 LEU A2964 -9.097 14.173 -11.002 1.00 0.00 H new ATOM 0 HG LEU A2964 -11.112 12.141 -12.008 1.00 0.00 H new ATOM 0 HD11 LEU A2964 -9.279 10.524 -11.539 1.00 0.00 H new ATOM 0 HD12 LEU A2964 -8.783 11.777 -12.701 1.00 0.00 H new ATOM 0 HD13 LEU A2964 -8.243 11.870 -11.008 1.00 0.00 H new ATOM 0 HD21 LEU A2964 -10.999 11.001 -9.805 1.00 0.00 H new ATOM 0 HD22 LEU A2964 -10.069 12.371 -9.153 1.00 0.00 H new ATOM 0 HD23 LEU A2964 -11.749 12.610 -9.689 1.00 0.00 H new ATOM 192 N PRO A2965 -9.934 16.838 -9.880 1.00 0.00 N ATOM 193 CA PRO A2965 -9.525 18.266 -9.738 1.00 0.00 C ATOM 194 C PRO A2965 -8.480 18.748 -10.780 1.00 0.00 C ATOM 195 O PRO A2965 -8.048 17.985 -11.656 1.00 0.00 O ATOM 196 CB PRO A2965 -8.964 18.315 -8.295 1.00 0.00 C ATOM 197 CG PRO A2965 -8.469 16.930 -8.043 1.00 0.00 C ATOM 198 CD PRO A2965 -9.486 16.032 -8.702 1.00 0.00 C ATOM 0 HA PRO A2965 -10.361 18.941 -9.919 1.00 0.00 H new ATOM 0 HB2 PRO A2965 -8.161 19.047 -8.205 1.00 0.00 H new ATOM 0 HB3 PRO A2965 -9.735 18.598 -7.578 1.00 0.00 H new ATOM 0 HG2 PRO A2965 -7.476 16.781 -8.467 1.00 0.00 H new ATOM 0 HG3 PRO A2965 -8.393 16.725 -6.975 1.00 0.00 H new ATOM 0 HD2 PRO A2965 -9.048 15.082 -9.007 1.00 0.00 H new ATOM 0 HD3 PRO A2965 -10.315 15.801 -8.032 1.00 0.00 H new ATOM 206 N GLU A2966 -8.075 20.028 -10.643 1.00 0.00 N ATOM 207 CA GLU A2966 -7.213 20.723 -11.617 1.00 0.00 C ATOM 208 C GLU A2966 -5.769 20.175 -11.590 1.00 0.00 C ATOM 209 O GLU A2966 -5.147 20.135 -10.519 1.00 0.00 O ATOM 210 CB GLU A2966 -7.191 22.253 -11.335 1.00 0.00 C ATOM 211 CG GLU A2966 -8.577 22.929 -11.221 1.00 0.00 C ATOM 212 CD GLU A2966 -9.486 22.651 -12.425 1.00 0.00 C ATOM 213 OE1 GLU A2966 -9.195 23.155 -13.531 1.00 0.00 O ATOM 214 OE2 GLU A2966 -10.491 21.920 -12.282 1.00 0.00 O ATOM 0 H GLU A2966 -8.339 20.610 -9.848 1.00 0.00 H new ATOM 0 HA GLU A2966 -7.633 20.542 -12.607 1.00 0.00 H new ATOM 0 HB2 GLU A2966 -6.644 22.426 -10.408 1.00 0.00 H new ATOM 0 HB3 GLU A2966 -6.631 22.744 -12.131 1.00 0.00 H new ATOM 0 HG2 GLU A2966 -9.070 22.581 -10.314 1.00 0.00 H new ATOM 0 HG3 GLU A2966 -8.442 24.006 -11.117 1.00 0.00 H new ATOM 221 N GLY A2967 -5.269 19.758 -12.776 1.00 0.00 N ATOM 222 CA GLY A2967 -3.868 19.352 -12.967 1.00 0.00 C ATOM 223 C GLY A2967 -3.460 18.112 -12.182 1.00 0.00 C ATOM 224 O GLY A2967 -2.282 17.950 -11.835 1.00 0.00 O ATOM 0 H GLY A2967 -5.831 19.696 -13.625 1.00 0.00 H new ATOM 0 HA2 GLY A2967 -3.697 19.168 -14.028 1.00 0.00 H new ATOM 0 HA3 GLY A2967 -3.220 20.180 -12.678 1.00 0.00 H new ATOM 228 N VAL A2968 -4.439 17.239 -11.898 1.00 0.00 N ATOM 229 CA VAL A2968 -4.203 16.006 -11.128 1.00 0.00 C ATOM 230 C VAL A2968 -3.830 14.844 -12.087 1.00 0.00 C ATOM 231 O VAL A2968 -4.269 14.813 -13.249 1.00 0.00 O ATOM 232 CB VAL A2968 -5.460 15.634 -10.247 1.00 0.00 C ATOM 233 CG1 VAL A2968 -6.616 15.065 -11.088 1.00 0.00 C ATOM 234 CG2 VAL A2968 -5.092 14.676 -9.094 1.00 0.00 C ATOM 0 H VAL A2968 -5.408 17.365 -12.192 1.00 0.00 H new ATOM 0 HA VAL A2968 -3.368 16.177 -10.448 1.00 0.00 H new ATOM 0 HB VAL A2968 -5.810 16.567 -9.805 1.00 0.00 H new ATOM 0 HG11 VAL A2968 -7.456 14.825 -10.436 1.00 0.00 H new ATOM 0 HG12 VAL A2968 -6.928 15.805 -11.825 1.00 0.00 H new ATOM 0 HG13 VAL A2968 -6.284 14.161 -11.599 1.00 0.00 H new ATOM 0 HG21 VAL A2968 -5.985 14.446 -8.513 1.00 0.00 H new ATOM 0 HG22 VAL A2968 -4.679 13.755 -9.504 1.00 0.00 H new ATOM 0 HG23 VAL A2968 -4.352 15.150 -8.449 1.00 0.00 H new ATOM 244 N ASP A2969 -3.015 13.901 -11.585 1.00 0.00 N ATOM 245 CA ASP A2969 -2.541 12.726 -12.340 1.00 0.00 C ATOM 246 C ASP A2969 -2.628 11.479 -11.446 1.00 0.00 C ATOM 247 O ASP A2969 -2.164 11.532 -10.297 1.00 0.00 O ATOM 248 CB ASP A2969 -1.070 12.913 -12.818 1.00 0.00 C ATOM 249 CG ASP A2969 -0.911 13.999 -13.893 1.00 0.00 C ATOM 250 OD1 ASP A2969 -1.155 13.715 -15.084 1.00 0.00 O ATOM 251 OD2 ASP A2969 -0.529 15.136 -13.562 1.00 0.00 O ATOM 0 H ASP A2969 -2.661 13.933 -10.629 1.00 0.00 H new ATOM 0 HA ASP A2969 -3.174 12.608 -13.220 1.00 0.00 H new ATOM 0 HB2 ASP A2969 -0.447 13.167 -11.961 1.00 0.00 H new ATOM 0 HB3 ASP A2969 -0.700 11.966 -13.211 1.00 0.00 H new ATOM 256 N PRO A2970 -3.209 10.331 -11.953 1.00 0.00 N ATOM 257 CA PRO A2970 -3.178 9.015 -11.253 1.00 0.00 C ATOM 258 C PRO A2970 -1.748 8.550 -10.874 1.00 0.00 C ATOM 259 O PRO A2970 -1.602 7.665 -10.033 1.00 0.00 O ATOM 260 CB PRO A2970 -3.845 8.031 -12.263 1.00 0.00 C ATOM 261 CG PRO A2970 -3.896 8.779 -13.570 1.00 0.00 C ATOM 262 CD PRO A2970 -3.987 10.242 -13.210 1.00 0.00 C ATOM 0 HA PRO A2970 -3.697 9.068 -10.296 1.00 0.00 H new ATOM 0 HB2 PRO A2970 -3.266 7.112 -12.358 1.00 0.00 H new ATOM 0 HB3 PRO A2970 -4.844 7.746 -11.933 1.00 0.00 H new ATOM 0 HG2 PRO A2970 -3.007 8.579 -14.169 1.00 0.00 H new ATOM 0 HG3 PRO A2970 -4.756 8.469 -14.163 1.00 0.00 H new ATOM 0 HD2 PRO A2970 -3.565 10.876 -13.990 1.00 0.00 H new ATOM 0 HD3 PRO A2970 -5.020 10.558 -13.067 1.00 0.00 H new ATOM 270 N SER A2971 -0.721 9.159 -11.506 1.00 0.00 N ATOM 271 CA SER A2971 0.701 8.863 -11.263 1.00 0.00 C ATOM 272 C SER A2971 1.057 8.966 -9.763 1.00 0.00 C ATOM 273 O SER A2971 1.441 7.968 -9.145 1.00 0.00 O ATOM 274 CB SER A2971 1.565 9.847 -12.092 1.00 0.00 C ATOM 275 OG SER A2971 1.145 9.886 -13.440 1.00 0.00 O ATOM 0 H SER A2971 -0.863 9.882 -12.211 1.00 0.00 H new ATOM 0 HA SER A2971 0.903 7.837 -11.571 1.00 0.00 H new ATOM 0 HB2 SER A2971 1.500 10.845 -11.659 1.00 0.00 H new ATOM 0 HB3 SER A2971 2.611 9.546 -12.043 1.00 0.00 H new ATOM 0 HG SER A2971 1.706 10.516 -13.939 1.00 0.00 H new ATOM 281 N PHE A2972 0.869 10.169 -9.174 1.00 0.00 N ATOM 282 CA PHE A2972 1.203 10.415 -7.753 1.00 0.00 C ATOM 283 C PHE A2972 0.097 9.903 -6.815 1.00 0.00 C ATOM 284 O PHE A2972 0.367 9.589 -5.658 1.00 0.00 O ATOM 285 CB PHE A2972 1.524 11.918 -7.491 1.00 0.00 C ATOM 286 CG PHE A2972 0.392 12.923 -7.729 1.00 0.00 C ATOM 287 CD1 PHE A2972 0.191 13.493 -8.985 1.00 0.00 C ATOM 288 CD2 PHE A2972 -0.458 13.317 -6.690 1.00 0.00 C ATOM 289 CE1 PHE A2972 -0.806 14.421 -9.192 1.00 0.00 C ATOM 290 CE2 PHE A2972 -1.452 14.249 -6.902 1.00 0.00 C ATOM 291 CZ PHE A2972 -1.633 14.794 -8.153 1.00 0.00 C ATOM 0 H PHE A2972 0.489 10.982 -9.659 1.00 0.00 H new ATOM 0 HA PHE A2972 2.106 9.847 -7.531 1.00 0.00 H new ATOM 0 HB2 PHE A2972 1.854 12.019 -6.457 1.00 0.00 H new ATOM 0 HB3 PHE A2972 2.366 12.200 -8.124 1.00 0.00 H new ATOM 0 HD1 PHE A2972 0.827 13.203 -9.809 1.00 0.00 H new ATOM 0 HD2 PHE A2972 -0.334 12.885 -5.708 1.00 0.00 H new ATOM 0 HE1 PHE A2972 -0.940 14.858 -10.171 1.00 0.00 H new ATOM 0 HE2 PHE A2972 -2.090 14.552 -6.085 1.00 0.00 H new ATOM 0 HZ PHE A2972 -2.421 15.513 -8.321 1.00 0.00 H new ATOM 301 N LEU A2973 -1.149 9.812 -7.327 1.00 0.00 N ATOM 302 CA LEU A2973 -2.298 9.315 -6.538 1.00 0.00 C ATOM 303 C LEU A2973 -2.120 7.827 -6.175 1.00 0.00 C ATOM 304 O LEU A2973 -2.528 7.386 -5.097 1.00 0.00 O ATOM 305 CB LEU A2973 -3.627 9.496 -7.324 1.00 0.00 C ATOM 306 CG LEU A2973 -4.011 10.955 -7.723 1.00 0.00 C ATOM 307 CD1 LEU A2973 -5.279 10.978 -8.607 1.00 0.00 C ATOM 308 CD2 LEU A2973 -4.188 11.862 -6.487 1.00 0.00 C ATOM 0 H LEU A2973 -1.386 10.076 -8.283 1.00 0.00 H new ATOM 0 HA LEU A2973 -2.340 9.901 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A2973 -3.569 8.898 -8.234 1.00 0.00 H new ATOM 0 HB3 LEU A2973 -4.437 9.083 -6.723 1.00 0.00 H new ATOM 0 HG LEU A2973 -3.182 11.355 -8.307 1.00 0.00 H new ATOM 0 HD11 LEU A2973 -5.521 12.008 -8.869 1.00 0.00 H new ATOM 0 HD12 LEU A2973 -5.099 10.405 -9.517 1.00 0.00 H new ATOM 0 HD13 LEU A2973 -6.112 10.537 -8.060 1.00 0.00 H new ATOM 0 HD21 LEU A2973 -4.455 12.868 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A2973 -4.979 11.462 -5.853 1.00 0.00 H new ATOM 0 HD23 LEU A2973 -3.255 11.897 -5.925 1.00 0.00 H new ATOM 320 N ALA A2974 -1.521 7.069 -7.109 1.00 0.00 N ATOM 321 CA ALA A2974 -1.334 5.613 -6.983 1.00 0.00 C ATOM 322 C ALA A2974 0.014 5.273 -6.336 1.00 0.00 C ATOM 323 O ALA A2974 0.073 4.495 -5.379 1.00 0.00 O ATOM 324 CB ALA A2974 -1.442 4.956 -8.368 1.00 0.00 C ATOM 0 H ALA A2974 -1.150 7.452 -7.979 1.00 0.00 H new ATOM 0 HA ALA A2974 -2.118 5.223 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A2974 -1.303 3.879 -8.272 1.00 0.00 H new ATOM 0 HB2 ALA A2974 -2.426 5.159 -8.791 1.00 0.00 H new ATOM 0 HB3 ALA A2974 -0.674 5.363 -9.025 1.00 0.00 H new ATOM 330 N ALA A2975 1.098 5.861 -6.886 1.00 0.00 N ATOM 331 CA ALA A2975 2.482 5.542 -6.476 1.00 0.00 C ATOM 332 C ALA A2975 2.779 5.989 -5.036 1.00 0.00 C ATOM 333 O ALA A2975 3.442 5.272 -4.272 1.00 0.00 O ATOM 334 CB ALA A2975 3.487 6.174 -7.448 1.00 0.00 C ATOM 0 H ALA A2975 1.039 6.565 -7.622 1.00 0.00 H new ATOM 0 HA ALA A2975 2.586 4.457 -6.507 1.00 0.00 H new ATOM 0 HB1 ALA A2975 4.501 5.930 -7.132 1.00 0.00 H new ATOM 0 HB2 ALA A2975 3.316 5.785 -8.452 1.00 0.00 H new ATOM 0 HB3 ALA A2975 3.359 7.256 -7.451 1.00 0.00 H new ATOM 340 N LEU A2976 2.288 7.183 -4.686 1.00 0.00 N ATOM 341 CA LEU A2976 2.487 7.786 -3.353 1.00 0.00 C ATOM 342 C LEU A2976 1.276 7.435 -2.439 1.00 0.00 C ATOM 343 O LEU A2976 0.220 7.069 -2.962 1.00 0.00 O ATOM 344 CB LEU A2976 2.646 9.322 -3.519 1.00 0.00 C ATOM 345 CG LEU A2976 3.752 9.822 -4.493 1.00 0.00 C ATOM 346 CD1 LEU A2976 3.746 11.362 -4.579 1.00 0.00 C ATOM 347 CD2 LEU A2976 5.148 9.294 -4.089 1.00 0.00 C ATOM 0 H LEU A2976 1.738 7.765 -5.318 1.00 0.00 H new ATOM 0 HA LEU A2976 3.388 7.391 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A2976 1.691 9.726 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A2976 2.843 9.749 -2.536 1.00 0.00 H new ATOM 0 HG LEU A2976 3.528 9.423 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU A2976 4.527 11.691 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A2976 2.776 11.702 -4.942 1.00 0.00 H new ATOM 0 HD13 LEU A2976 3.931 11.782 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU A2976 5.894 9.664 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU A2976 5.392 9.641 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A2976 5.143 8.204 -4.105 1.00 0.00 H new ATOM 359 N PRO A2977 1.396 7.531 -1.061 1.00 0.00 N ATOM 360 CA PRO A2977 0.291 7.148 -0.120 1.00 0.00 C ATOM 361 C PRO A2977 -0.936 8.094 -0.177 1.00 0.00 C ATOM 362 O PRO A2977 -0.949 9.082 -0.916 1.00 0.00 O ATOM 363 CB PRO A2977 0.985 7.208 1.268 1.00 0.00 C ATOM 364 CG PRO A2977 2.068 8.226 1.099 1.00 0.00 C ATOM 365 CD PRO A2977 2.598 8.009 -0.305 1.00 0.00 C ATOM 0 HA PRO A2977 -0.131 6.174 -0.368 1.00 0.00 H new ATOM 0 HB2 PRO A2977 0.284 7.500 2.050 1.00 0.00 H new ATOM 0 HB3 PRO A2977 1.393 6.237 1.551 1.00 0.00 H new ATOM 0 HG2 PRO A2977 1.681 9.238 1.222 1.00 0.00 H new ATOM 0 HG3 PRO A2977 2.854 8.093 1.842 1.00 0.00 H new ATOM 0 HD2 PRO A2977 3.000 8.929 -0.729 1.00 0.00 H new ATOM 0 HD3 PRO A2977 3.402 7.273 -0.322 1.00 0.00 H new ATOM 373 N ASP A2978 -1.970 7.772 0.622 1.00 0.00 N ATOM 374 CA ASP A2978 -3.205 8.580 0.720 1.00 0.00 C ATOM 375 C ASP A2978 -2.990 9.888 1.511 1.00 0.00 C ATOM 376 O ASP A2978 -3.818 10.793 1.425 1.00 0.00 O ATOM 377 CB ASP A2978 -4.381 7.745 1.308 1.00 0.00 C ATOM 378 CG ASP A2978 -4.958 6.712 0.316 1.00 0.00 C ATOM 379 OD1 ASP A2978 -5.499 7.125 -0.738 1.00 0.00 O ATOM 380 OD2 ASP A2978 -4.903 5.489 0.590 1.00 0.00 O ATOM 0 H ASP A2978 -1.975 6.945 1.219 1.00 0.00 H new ATOM 0 HA ASP A2978 -3.475 8.870 -0.295 1.00 0.00 H new ATOM 0 HB2 ASP A2978 -4.036 7.225 2.202 1.00 0.00 H new ATOM 0 HB3 ASP A2978 -5.177 8.422 1.620 1.00 0.00 H new ATOM 385 N ASP A2979 -1.876 9.988 2.261 1.00 0.00 N ATOM 386 CA ASP A2979 -1.580 11.156 3.120 1.00 0.00 C ATOM 387 C ASP A2979 -1.436 12.457 2.302 1.00 0.00 C ATOM 388 O ASP A2979 -2.156 13.448 2.538 1.00 0.00 O ATOM 389 CB ASP A2979 -0.290 10.900 3.930 1.00 0.00 C ATOM 390 CG ASP A2979 -0.415 9.711 4.894 1.00 0.00 C ATOM 391 OD1 ASP A2979 -0.188 8.559 4.461 1.00 0.00 O ATOM 392 OD2 ASP A2979 -0.753 9.912 6.082 1.00 0.00 O ATOM 0 H ASP A2979 -1.157 9.265 2.290 1.00 0.00 H new ATOM 0 HA ASP A2979 -2.423 11.286 3.798 1.00 0.00 H new ATOM 0 HB2 ASP A2979 0.535 10.718 3.241 1.00 0.00 H new ATOM 0 HB3 ASP A2979 -0.039 11.796 4.497 1.00 0.00 H new ATOM 397 N ILE A2980 -0.533 12.451 1.309 1.00 0.00 N ATOM 398 CA ILE A2980 -0.322 13.640 0.451 1.00 0.00 C ATOM 399 C ILE A2980 -1.416 13.730 -0.621 1.00 0.00 C ATOM 400 O ILE A2980 -1.705 14.806 -1.103 1.00 0.00 O ATOM 401 CB ILE A2980 1.112 13.731 -0.206 1.00 0.00 C ATOM 402 CG1 ILE A2980 1.294 12.756 -1.410 1.00 0.00 C ATOM 403 CG2 ILE A2980 2.216 13.515 0.857 1.00 0.00 C ATOM 404 CD1 ILE A2980 1.183 11.289 -1.076 1.00 0.00 C ATOM 0 H ILE A2980 0.057 11.652 1.078 1.00 0.00 H new ATOM 0 HA ILE A2980 -0.387 14.498 1.120 1.00 0.00 H new ATOM 0 HB ILE A2980 1.207 14.738 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A2980 0.547 12.997 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE A2980 2.271 12.937 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A2980 3.195 13.582 0.383 1.00 0.00 H new ATOM 0 HG22 ILE A2980 2.133 14.281 1.628 1.00 0.00 H new ATOM 0 HG23 ILE A2980 2.098 12.530 1.309 1.00 0.00 H new ATOM 0 HD11 ILE A2980 1.325 10.698 -1.981 1.00 0.00 H new ATOM 0 HD12 ILE A2980 1.947 11.023 -0.346 1.00 0.00 H new ATOM 0 HD13 ILE A2980 0.197 11.084 -0.660 1.00 0.00 H new ATOM 416 N ARG A2981 -2.025 12.578 -0.950 1.00 0.00 N ATOM 417 CA ARG A2981 -3.149 12.483 -1.898 1.00 0.00 C ATOM 418 C ARG A2981 -4.331 13.343 -1.391 1.00 0.00 C ATOM 419 O ARG A2981 -4.894 14.150 -2.141 1.00 0.00 O ATOM 420 CB ARG A2981 -3.519 10.967 -2.055 1.00 0.00 C ATOM 421 CG ARG A2981 -4.668 10.567 -3.027 1.00 0.00 C ATOM 422 CD ARG A2981 -6.084 10.881 -2.495 1.00 0.00 C ATOM 423 NE ARG A2981 -7.131 10.084 -3.153 1.00 0.00 N ATOM 424 CZ ARG A2981 -7.661 10.305 -4.371 1.00 0.00 C ATOM 425 NH1 ARG A2981 -7.264 11.322 -5.136 1.00 0.00 N ATOM 426 NH2 ARG A2981 -8.616 9.505 -4.812 1.00 0.00 N ATOM 0 H ARG A2981 -1.748 11.677 -0.561 1.00 0.00 H new ATOM 0 HA ARG A2981 -2.882 12.873 -2.880 1.00 0.00 H new ATOM 0 HB2 ARG A2981 -2.620 10.440 -2.374 1.00 0.00 H new ATOM 0 HB3 ARG A2981 -3.777 10.587 -1.066 1.00 0.00 H new ATOM 0 HG2 ARG A2981 -4.525 11.086 -3.975 1.00 0.00 H new ATOM 0 HG3 ARG A2981 -4.598 9.499 -3.235 1.00 0.00 H new ATOM 0 HD2 ARG A2981 -6.113 10.695 -1.421 1.00 0.00 H new ATOM 0 HD3 ARG A2981 -6.295 11.940 -2.641 1.00 0.00 H new ATOM 0 HE ARG A2981 -7.492 9.283 -2.634 1.00 0.00 H new ATOM 0 HH11 ARG A2981 -6.540 11.958 -4.803 1.00 0.00 H new ATOM 0 HH12 ARG A2981 -7.684 11.464 -6.054 1.00 0.00 H new ATOM 0 HH21 ARG A2981 -8.942 8.732 -4.232 1.00 0.00 H new ATOM 0 HH22 ARG A2981 -9.027 9.660 -5.733 1.00 0.00 H new ATOM 440 N ARG A2982 -4.682 13.163 -0.102 1.00 0.00 N ATOM 441 CA ARG A2982 -5.832 13.849 0.519 1.00 0.00 C ATOM 442 C ARG A2982 -5.523 15.340 0.751 1.00 0.00 C ATOM 443 O ARG A2982 -6.424 16.179 0.624 1.00 0.00 O ATOM 444 CB ARG A2982 -6.256 13.151 1.848 1.00 0.00 C ATOM 445 CG ARG A2982 -5.234 13.270 2.994 1.00 0.00 C ATOM 446 CD ARG A2982 -5.519 12.344 4.189 1.00 0.00 C ATOM 447 NE ARG A2982 -4.521 12.550 5.255 1.00 0.00 N ATOM 448 CZ ARG A2982 -3.971 11.593 6.025 1.00 0.00 C ATOM 449 NH1 ARG A2982 -4.224 10.309 5.822 1.00 0.00 N ATOM 450 NH2 ARG A2982 -3.123 11.939 6.981 1.00 0.00 N ATOM 0 H ARG A2982 -4.180 12.543 0.534 1.00 0.00 H new ATOM 0 HA ARG A2982 -6.672 13.783 -0.172 1.00 0.00 H new ATOM 0 HB2 ARG A2982 -7.203 13.576 2.179 1.00 0.00 H new ATOM 0 HB3 ARG A2982 -6.434 12.095 1.647 1.00 0.00 H new ATOM 0 HG2 ARG A2982 -4.240 13.048 2.605 1.00 0.00 H new ATOM 0 HG3 ARG A2982 -5.216 14.302 3.344 1.00 0.00 H new ATOM 0 HD2 ARG A2982 -6.519 12.539 4.577 1.00 0.00 H new ATOM 0 HD3 ARG A2982 -5.501 11.304 3.863 1.00 0.00 H new ATOM 0 HE ARG A2982 -4.219 13.509 5.425 1.00 0.00 H new ATOM 0 HH11 ARG A2982 -4.849 10.025 5.067 1.00 0.00 H new ATOM 0 HH12 ARG A2982 -3.794 9.604 6.420 1.00 0.00 H new ATOM 0 HH21 ARG A2982 -2.893 12.922 7.128 1.00 0.00 H new ATOM 0 HH22 ARG A2982 -2.700 11.223 7.571 1.00 0.00 H new ATOM 464 N GLU A2983 -4.245 15.676 1.084 1.00 0.00 N ATOM 465 CA GLU A2983 -3.871 17.081 1.343 1.00 0.00 C ATOM 466 C GLU A2983 -3.781 17.885 0.030 1.00 0.00 C ATOM 467 O GLU A2983 -4.299 18.977 -0.030 1.00 0.00 O ATOM 468 CB GLU A2983 -2.579 17.205 2.192 1.00 0.00 C ATOM 469 CG GLU A2983 -1.260 16.906 1.474 1.00 0.00 C ATOM 470 CD GLU A2983 -0.042 16.913 2.413 1.00 0.00 C ATOM 471 OE1 GLU A2983 0.153 15.928 3.161 1.00 0.00 O ATOM 472 OE2 GLU A2983 0.728 17.890 2.413 1.00 0.00 O ATOM 0 H GLU A2983 -3.480 15.007 1.176 1.00 0.00 H new ATOM 0 HA GLU A2983 -4.669 17.519 1.942 1.00 0.00 H new ATOM 0 HB2 GLU A2983 -2.529 18.218 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A2983 -2.664 16.531 3.044 1.00 0.00 H new ATOM 0 HG2 GLU A2983 -1.331 15.932 0.989 1.00 0.00 H new ATOM 0 HG3 GLU A2983 -1.107 17.644 0.687 1.00 0.00 H new ATOM 479 N VAL A2984 -3.191 17.323 -1.044 1.00 0.00 N ATOM 480 CA VAL A2984 -3.102 18.047 -2.342 1.00 0.00 C ATOM 481 C VAL A2984 -4.513 18.301 -2.918 1.00 0.00 C ATOM 482 O VAL A2984 -4.776 19.351 -3.485 1.00 0.00 O ATOM 483 CB VAL A2984 -2.181 17.323 -3.397 1.00 0.00 C ATOM 484 CG1 VAL A2984 -0.735 17.181 -2.863 1.00 0.00 C ATOM 485 CG2 VAL A2984 -2.756 15.959 -3.850 1.00 0.00 C ATOM 0 H VAL A2984 -2.776 16.391 -1.048 1.00 0.00 H new ATOM 0 HA VAL A2984 -2.625 19.005 -2.133 1.00 0.00 H new ATOM 0 HB VAL A2984 -2.155 17.955 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A2984 -0.119 16.678 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A2984 -0.324 18.170 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A2984 -0.742 16.595 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A2984 -2.083 15.503 -4.576 1.00 0.00 H new ATOM 0 HG22 VAL A2984 -2.857 15.302 -2.986 1.00 0.00 H new ATOM 0 HG23 VAL A2984 -3.734 16.110 -4.307 1.00 0.00 H new ATOM 495 N LEU A2985 -5.416 17.349 -2.681 1.00 0.00 N ATOM 496 CA LEU A2985 -6.831 17.451 -3.071 1.00 0.00 C ATOM 497 C LEU A2985 -7.510 18.684 -2.396 1.00 0.00 C ATOM 498 O LEU A2985 -7.911 19.648 -3.067 1.00 0.00 O ATOM 499 CB LEU A2985 -7.521 16.141 -2.635 1.00 0.00 C ATOM 500 CG LEU A2985 -9.013 15.936 -3.039 1.00 0.00 C ATOM 501 CD1 LEU A2985 -9.163 15.771 -4.565 1.00 0.00 C ATOM 502 CD2 LEU A2985 -9.622 14.728 -2.298 1.00 0.00 C ATOM 0 H LEU A2985 -5.188 16.475 -2.208 1.00 0.00 H new ATOM 0 HA LEU A2985 -6.919 17.592 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A2985 -6.947 15.309 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A2985 -7.456 16.073 -1.549 1.00 0.00 H new ATOM 0 HG LEU A2985 -9.561 16.831 -2.744 1.00 0.00 H new ATOM 0 HD11 LEU A2985 -10.215 15.630 -4.814 1.00 0.00 H new ATOM 0 HD12 LEU A2985 -8.788 16.663 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A2985 -8.592 14.903 -4.895 1.00 0.00 H new ATOM 0 HD21 LEU A2985 -10.663 14.605 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A2985 -9.063 13.827 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A2985 -9.570 14.897 -1.222 1.00 0.00 H new ATOM 514 N GLN A2986 -7.554 18.641 -1.058 1.00 0.00 N ATOM 515 CA GLN A2986 -8.316 19.598 -0.235 1.00 0.00 C ATOM 516 C GLN A2986 -7.561 20.937 -0.047 1.00 0.00 C ATOM 517 O GLN A2986 -8.142 22.005 -0.208 1.00 0.00 O ATOM 518 CB GLN A2986 -8.639 18.946 1.137 1.00 0.00 C ATOM 519 CG GLN A2986 -9.444 17.630 1.025 1.00 0.00 C ATOM 520 CD GLN A2986 -9.661 16.928 2.370 1.00 0.00 C ATOM 521 OE1 GLN A2986 -10.661 17.156 3.057 1.00 0.00 O ATOM 522 NE2 GLN A2986 -8.723 16.074 2.754 1.00 0.00 N ATOM 0 H GLN A2986 -7.059 17.937 -0.509 1.00 0.00 H new ATOM 0 HA GLN A2986 -9.244 19.836 -0.755 1.00 0.00 H new ATOM 0 HB2 GLN A2986 -7.706 18.747 1.664 1.00 0.00 H new ATOM 0 HB3 GLN A2986 -9.202 19.656 1.743 1.00 0.00 H new ATOM 0 HG2 GLN A2986 -10.414 17.844 0.576 1.00 0.00 H new ATOM 0 HG3 GLN A2986 -8.923 16.951 0.350 1.00 0.00 H new ATOM 0 HE21 GLN A2986 -7.909 15.910 2.161 1.00 0.00 H new ATOM 0 HE22 GLN A2986 -8.815 15.581 3.642 1.00 0.00 H new ATOM 531 N ASN A2987 -6.273 20.857 0.304 1.00 0.00 N ATOM 532 CA ASN A2987 -5.431 22.046 0.600 1.00 0.00 C ATOM 533 C ASN A2987 -5.170 22.898 -0.658 1.00 0.00 C ATOM 534 O ASN A2987 -5.126 24.126 -0.558 1.00 0.00 O ATOM 535 CB ASN A2987 -4.068 21.639 1.236 1.00 0.00 C ATOM 536 CG ASN A2987 -4.190 20.868 2.561 1.00 0.00 C ATOM 537 OD1 ASN A2987 -5.156 20.136 2.799 1.00 0.00 O ATOM 538 ND2 ASN A2987 -3.181 20.980 3.412 1.00 0.00 N ATOM 0 H ASN A2987 -5.775 19.971 0.394 1.00 0.00 H new ATOM 0 HA ASN A2987 -5.994 22.645 1.316 1.00 0.00 H new ATOM 0 HB2 ASN A2987 -3.517 21.026 0.523 1.00 0.00 H new ATOM 0 HB3 ASN A2987 -3.477 22.539 1.407 1.00 0.00 H new ATOM 0 HD21 ASN A2987 -3.191 20.455 4.286 1.00 0.00 H new ATOM 0 HD22 ASN A2987 -2.394 21.591 3.193 1.00 0.00 H new ATOM 545 N GLN A2988 -4.977 22.258 -1.837 1.00 0.00 N ATOM 546 CA GLN A2988 -4.691 23.010 -3.084 1.00 0.00 C ATOM 547 C GLN A2988 -5.983 23.546 -3.732 1.00 0.00 C ATOM 548 O GLN A2988 -6.114 24.759 -3.936 1.00 0.00 O ATOM 549 CB GLN A2988 -3.903 22.145 -4.096 1.00 0.00 C ATOM 550 CG GLN A2988 -2.472 21.762 -3.651 1.00 0.00 C ATOM 551 CD GLN A2988 -1.690 20.942 -4.694 1.00 0.00 C ATOM 552 OE1 GLN A2988 -0.467 21.044 -4.784 1.00 0.00 O ATOM 553 NE2 GLN A2988 -2.378 20.101 -5.462 1.00 0.00 N ATOM 0 H GLN A2988 -5.013 21.245 -1.951 1.00 0.00 H new ATOM 0 HA GLN A2988 -4.072 23.863 -2.806 1.00 0.00 H new ATOM 0 HB2 GLN A2988 -4.466 21.231 -4.286 1.00 0.00 H new ATOM 0 HB3 GLN A2988 -3.842 22.684 -5.042 1.00 0.00 H new ATOM 0 HG2 GLN A2988 -1.916 22.673 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN A2988 -2.531 21.190 -2.725 1.00 0.00 H new ATOM 0 HE21 GLN A2988 -3.391 20.036 -5.367 1.00 0.00 H new ATOM 0 HE22 GLN A2988 -1.892 19.521 -6.146 1.00 0.00 H new ATOM 562 N LEU A2989 -6.939 22.645 -4.032 1.00 0.00 N ATOM 563 CA LEU A2989 -8.133 23.001 -4.836 1.00 0.00 C ATOM 564 C LEU A2989 -9.271 23.504 -3.948 1.00 0.00 C ATOM 565 O LEU A2989 -10.040 24.386 -4.356 1.00 0.00 O ATOM 566 CB LEU A2989 -8.615 21.805 -5.698 1.00 0.00 C ATOM 567 CG LEU A2989 -7.595 21.223 -6.736 1.00 0.00 C ATOM 568 CD1 LEU A2989 -6.908 22.328 -7.563 1.00 0.00 C ATOM 569 CD2 LEU A2989 -6.563 20.287 -6.069 1.00 0.00 C ATOM 0 H LEU A2989 -6.912 21.670 -3.733 1.00 0.00 H new ATOM 0 HA LEU A2989 -7.837 23.808 -5.507 1.00 0.00 H new ATOM 0 HB2 LEU A2989 -8.912 21.000 -5.026 1.00 0.00 H new ATOM 0 HB3 LEU A2989 -9.509 22.115 -6.238 1.00 0.00 H new ATOM 0 HG LEU A2989 -8.175 20.619 -7.434 1.00 0.00 H new ATOM 0 HD11 LEU A2989 -6.211 21.875 -8.268 1.00 0.00 H new ATOM 0 HD12 LEU A2989 -7.661 22.894 -8.111 1.00 0.00 H new ATOM 0 HD13 LEU A2989 -6.365 22.998 -6.896 1.00 0.00 H new ATOM 0 HD21 LEU A2989 -5.876 19.906 -6.824 1.00 0.00 H new ATOM 0 HD22 LEU A2989 -6.003 20.841 -5.315 1.00 0.00 H new ATOM 0 HD23 LEU A2989 -7.081 19.453 -5.596 1.00 0.00 H new ATOM 581 N GLY A2990 -9.374 22.936 -2.739 1.00 0.00 N ATOM 582 CA GLY A2990 -10.461 23.260 -1.816 1.00 0.00 C ATOM 583 C GLY A2990 -11.646 22.315 -1.923 1.00 0.00 C ATOM 584 O GLY A2990 -12.644 22.495 -1.219 1.00 0.00 O ATOM 0 H GLY A2990 -8.713 22.247 -2.380 1.00 0.00 H new ATOM 0 HA2 GLY A2990 -10.079 23.238 -0.795 1.00 0.00 H new ATOM 0 HA3 GLY A2990 -10.799 24.278 -2.008 1.00 0.00 H new ATOM 588 N ILE A2991 -11.535 21.313 -2.815 1.00 0.00 N ATOM 589 CA ILE A2991 -12.576 20.293 -3.018 1.00 0.00 C ATOM 590 C ILE A2991 -12.577 19.312 -1.822 1.00 0.00 C ATOM 591 O ILE A2991 -11.550 18.688 -1.506 1.00 0.00 O ATOM 592 CB ILE A2991 -12.398 19.563 -4.424 1.00 0.00 C ATOM 593 CG1 ILE A2991 -13.547 18.518 -4.740 1.00 0.00 C ATOM 594 CG2 ILE A2991 -10.991 18.931 -4.584 1.00 0.00 C ATOM 595 CD1 ILE A2991 -13.382 17.102 -4.167 1.00 0.00 C ATOM 0 H ILE A2991 -10.719 21.189 -3.415 1.00 0.00 H new ATOM 0 HA ILE A2991 -13.555 20.770 -3.053 1.00 0.00 H new ATOM 0 HB ILE A2991 -12.489 20.350 -5.173 1.00 0.00 H new ATOM 0 HG12 ILE A2991 -14.487 18.926 -4.368 1.00 0.00 H new ATOM 0 HG13 ILE A2991 -13.641 18.436 -5.823 1.00 0.00 H new ATOM 0 HG21 ILE A2991 -10.919 18.446 -5.557 1.00 0.00 H new ATOM 0 HG22 ILE A2991 -10.232 19.710 -4.509 1.00 0.00 H new ATOM 0 HG23 ILE A2991 -10.832 18.193 -3.798 1.00 0.00 H new ATOM 0 HD11 ILE A2991 -14.236 16.490 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE A2991 -12.467 16.656 -4.557 1.00 0.00 H new ATOM 0 HD13 ILE A2991 -13.326 17.154 -3.080 1.00 0.00 H new ATOM 607 N ARG A2992 -13.735 19.216 -1.139 1.00 0.00 N ATOM 608 CA ARG A2992 -13.917 18.317 0.008 1.00 0.00 C ATOM 609 C ARG A2992 -14.647 17.029 -0.448 1.00 0.00 C ATOM 610 O ARG A2992 -15.655 17.102 -1.161 1.00 0.00 O ATOM 611 CB ARG A2992 -14.692 19.035 1.156 1.00 0.00 C ATOM 612 CG ARG A2992 -16.162 19.410 0.851 1.00 0.00 C ATOM 613 CD ARG A2992 -16.841 20.155 2.013 1.00 0.00 C ATOM 614 NE ARG A2992 -16.796 19.386 3.275 1.00 0.00 N ATOM 615 CZ ARG A2992 -16.493 19.888 4.486 1.00 0.00 C ATOM 616 NH1 ARG A2992 -16.095 21.149 4.625 1.00 0.00 N ATOM 617 NH2 ARG A2992 -16.555 19.108 5.555 1.00 0.00 N ATOM 0 H ARG A2992 -14.566 19.760 -1.370 1.00 0.00 H new ATOM 0 HA ARG A2992 -12.939 18.038 0.401 1.00 0.00 H new ATOM 0 HB2 ARG A2992 -14.677 18.391 2.036 1.00 0.00 H new ATOM 0 HB3 ARG A2992 -14.152 19.945 1.418 1.00 0.00 H new ATOM 0 HG2 ARG A2992 -16.195 20.033 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A2992 -16.725 18.503 0.629 1.00 0.00 H new ATOM 0 HD2 ARG A2992 -16.352 21.118 2.159 1.00 0.00 H new ATOM 0 HD3 ARG A2992 -17.879 20.361 1.752 1.00 0.00 H new ATOM 0 HE ARG A2992 -17.013 18.391 3.223 1.00 0.00 H new ATOM 0 HH11 ARG A2992 -16.015 21.752 3.806 1.00 0.00 H new ATOM 0 HH12 ARG A2992 -15.869 21.513 5.551 1.00 0.00 H new ATOM 0 HH21 ARG A2992 -16.832 18.131 5.458 1.00 0.00 H new ATOM 0 HH22 ARG A2992 -16.326 19.484 6.475 1.00 0.00 H new