USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 550 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 Set 1.1: A 26 TYR OH : rot 152:sc= -0.616 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 120:sc= -0.166 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 58 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.24) USER MOD Single : A 63 SER OG : rot 50:sc= -2.84! USER MOD Single : A 70 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -36:sc= 0.126 USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 3 5.173 -0.266 6.985 1.00 0.00 N ATOM 71 CA LEU A 3 4.499 -1.471 7.438 1.00 0.00 C ATOM 72 C LEU A 3 4.591 -2.517 6.332 1.00 0.00 C ATOM 73 O LEU A 3 4.674 -2.218 5.148 1.00 0.00 O ATOM 74 CB LEU A 3 3.040 -1.158 7.835 1.00 0.00 C ATOM 75 CG LEU A 3 2.831 -0.357 9.144 1.00 0.00 C ATOM 76 CD1 LEU A 3 3.525 -1.047 10.332 1.00 0.00 C ATOM 77 CD2 LEU A 3 3.220 1.122 9.021 1.00 0.00 C ATOM 0 HA LEU A 3 4.981 -1.868 8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.577 -0.603 7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.502 -2.102 7.924 1.00 0.00 H new ATOM 0 HG LEU A 3 1.759 -0.355 9.340 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.362 -0.463 11.238 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.111 -2.046 10.465 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.595 -1.121 10.136 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.049 1.624 9.973 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.274 1.200 8.754 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.614 1.594 8.248 1.00 0.00 H new ATOM 89 N ARG A 4 4.575 -3.775 6.736 1.00 0.00 N ATOM 90 CA ARG A 4 4.657 -4.917 5.822 1.00 0.00 C ATOM 91 C ARG A 4 3.297 -5.531 5.628 1.00 0.00 C ATOM 92 O ARG A 4 2.381 -5.259 6.402 1.00 0.00 O ATOM 93 CB ARG A 4 5.692 -5.920 6.337 1.00 0.00 C ATOM 94 CG ARG A 4 5.495 -6.308 7.819 1.00 0.00 C ATOM 95 CD ARG A 4 6.579 -5.707 8.728 1.00 0.00 C ATOM 96 NE ARG A 4 6.106 -4.539 9.500 1.00 0.00 N ATOM 97 CZ ARG A 4 6.875 -3.697 10.172 1.00 0.00 C ATOM 98 NH1 ARG A 4 8.169 -3.817 10.192 1.00 0.00 N ATOM 99 NH2 ARG A 4 6.340 -2.725 10.840 1.00 0.00 N ATOM 0 H ARG A 4 4.504 -4.043 7.718 1.00 0.00 H new ATOM 0 HA ARG A 4 4.992 -4.582 4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.648 -6.821 5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.689 -5.498 6.210 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.514 -5.969 8.154 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.506 -7.394 7.913 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.931 -6.473 9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.433 -5.411 8.118 1.00 0.00 H new ATOM 0 HE ARG A 4 5.101 -4.367 9.516 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.619 -4.576 9.680 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.735 -3.152 10.719 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.327 -2.609 10.848 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.932 -2.076 11.358 1.00 0.00 H new ATOM 113 N ILE A 5 3.228 -6.505 4.732 1.00 0.00 N ATOM 114 CA ILE A 5 2.035 -7.324 4.579 1.00 0.00 C ATOM 115 C ILE A 5 1.603 -7.912 5.908 1.00 0.00 C ATOM 116 O ILE A 5 0.424 -7.928 6.201 1.00 0.00 O ATOM 117 CB ILE A 5 2.267 -8.433 3.538 1.00 0.00 C ATOM 118 CG1 ILE A 5 0.991 -8.614 2.720 1.00 0.00 C ATOM 119 CG2 ILE A 5 2.826 -9.760 4.106 1.00 0.00 C ATOM 120 CD1 ILE A 5 -0.005 -9.463 3.468 1.00 0.00 C ATOM 0 H ILE A 5 3.989 -6.748 4.097 1.00 0.00 H new ATOM 0 HA ILE A 5 1.230 -6.683 4.221 1.00 0.00 H new ATOM 0 HB ILE A 5 3.074 -8.104 2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.553 -7.640 2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.229 -9.081 1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.955 -10.477 3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.788 -9.575 4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.129 -10.164 4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.907 -9.580 2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.429 -10.443 3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.258 -8.981 4.412 1.00 0.00 H new ATOM 132 N ARG A 6 2.537 -8.280 6.793 1.00 0.00 N ATOM 133 CA ARG A 6 2.197 -8.816 8.115 1.00 0.00 C ATOM 134 C ARG A 6 1.244 -7.899 8.862 1.00 0.00 C ATOM 135 O ARG A 6 0.427 -8.390 9.607 1.00 0.00 O ATOM 136 CB ARG A 6 3.457 -9.011 8.955 1.00 0.00 C ATOM 137 CG ARG A 6 3.199 -10.006 10.092 1.00 0.00 C ATOM 138 CD ARG A 6 4.351 -9.973 11.099 1.00 0.00 C ATOM 139 NE ARG A 6 3.853 -10.029 12.483 1.00 0.00 N ATOM 140 CZ ARG A 6 4.573 -10.289 13.556 1.00 0.00 C ATOM 141 NH1 ARG A 6 5.852 -10.512 13.481 1.00 0.00 N ATOM 142 NH2 ARG A 6 4.011 -10.316 14.722 1.00 0.00 N ATOM 0 H ARG A 6 3.539 -8.216 6.615 1.00 0.00 H new ATOM 0 HA ARG A 6 1.707 -9.776 7.955 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.269 -9.374 8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.777 -8.054 9.367 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.262 -9.761 10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.090 -11.012 9.686 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.020 -10.814 10.917 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.935 -9.064 10.957 1.00 0.00 H new ATOM 0 HE ARG A 6 2.859 -9.850 12.625 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.322 -10.488 12.576 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.386 -10.711 14.327 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.011 -10.136 14.810 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.568 -10.517 15.552 1.00 0.00 H new ATOM 156 N THR A 7 1.341 -6.585 8.664 1.00 0.00 N ATOM 157 CA THR A 7 0.418 -5.577 9.202 1.00 0.00 C ATOM 158 C THR A 7 -0.964 -5.583 8.542 1.00 0.00 C ATOM 159 O THR A 7 -1.946 -5.302 9.218 1.00 0.00 O ATOM 160 CB THR A 7 1.042 -4.192 9.118 1.00 0.00 C ATOM 161 OG1 THR A 7 2.224 -4.236 9.891 1.00 0.00 O ATOM 162 CG2 THR A 7 0.148 -3.061 9.628 1.00 0.00 C ATOM 0 H THR A 7 2.090 -6.175 8.105 1.00 0.00 H new ATOM 0 HA THR A 7 0.251 -5.846 10.245 1.00 0.00 H new ATOM 0 HB THR A 7 1.220 -3.965 8.067 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.995 -4.031 9.322 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.673 -2.111 9.531 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.770 -3.030 9.042 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.096 -3.235 10.676 1.00 0.00 H new ATOM 170 N ILE A 8 -1.071 -5.940 7.274 1.00 0.00 N ATOM 171 CA ILE A 8 -2.328 -6.084 6.527 1.00 0.00 C ATOM 172 C ILE A 8 -2.953 -7.472 6.742 1.00 0.00 C ATOM 173 O ILE A 8 -4.167 -7.640 6.721 1.00 0.00 O ATOM 174 CB ILE A 8 -2.075 -5.863 5.025 1.00 0.00 C ATOM 175 CG1 ILE A 8 -1.109 -4.676 4.802 1.00 0.00 C ATOM 176 CG2 ILE A 8 -3.442 -5.632 4.341 1.00 0.00 C ATOM 177 CD1 ILE A 8 -0.824 -4.419 3.323 1.00 0.00 C ATOM 0 H ILE A 8 -0.252 -6.149 6.703 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.025 -5.333 6.899 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.596 -6.737 4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.535 -3.777 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.171 -4.874 5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.292 -5.472 3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.076 -6.505 4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.923 -4.755 4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.141 -3.575 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.371 -5.306 2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.757 -4.192 2.807 1.00 0.00 H new ATOM 189 N ALA A 9 -2.127 -8.482 6.993 1.00 0.00 N ATOM 190 CA ALA A 9 -2.550 -9.840 7.268 1.00 0.00 C ATOM 191 C ALA A 9 -3.005 -10.007 8.686 1.00 0.00 C ATOM 192 O ALA A 9 -4.135 -10.439 8.890 1.00 0.00 O ATOM 193 CB ALA A 9 -1.424 -10.811 6.958 1.00 0.00 C ATOM 0 H ALA A 9 -1.113 -8.369 7.010 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.402 -10.058 6.623 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.753 -11.829 7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.151 -10.728 5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.559 -10.574 7.577 1.00 0.00 H new ATOM 199 N ARG A 10 -2.183 -9.540 9.635 1.00 0.00 N ATOM 200 CA ARG A 10 -2.524 -9.506 11.067 1.00 0.00 C ATOM 201 C ARG A 10 -3.866 -8.838 11.332 1.00 0.00 C ATOM 202 O ARG A 10 -4.401 -9.035 12.408 1.00 0.00 O ATOM 203 CB ARG A 10 -1.467 -8.775 11.916 1.00 0.00 C ATOM 204 CG ARG A 10 -1.508 -7.257 11.664 1.00 0.00 C ATOM 205 CD ARG A 10 -0.492 -6.469 12.487 1.00 0.00 C ATOM 206 NE ARG A 10 -0.927 -6.398 13.884 1.00 0.00 N ATOM 207 CZ ARG A 10 -1.816 -5.550 14.373 1.00 0.00 C ATOM 208 NH1 ARG A 10 -2.370 -4.622 13.639 1.00 0.00 N ATOM 209 NH2 ARG A 10 -2.163 -5.635 15.621 1.00 0.00 N ATOM 0 H ARG A 10 -1.254 -9.172 9.431 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.567 -10.555 11.358 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.642 -8.976 12.973 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.475 -9.160 11.678 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.329 -7.069 10.605 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.509 -6.888 11.889 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.486 -6.946 12.426 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.383 -5.464 12.080 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.508 -7.060 14.536 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.120 -4.534 12.654 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.052 -3.985 14.051 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.750 -6.352 16.217 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.848 -4.984 16.005 1.00 0.00 H new ATOM 223 N MET A 11 -4.349 -8.007 10.391 1.00 0.00 N ATOM 224 CA MET A 11 -5.652 -7.329 10.442 1.00 0.00 C ATOM 225 C MET A 11 -6.744 -8.275 10.902 1.00 0.00 C ATOM 226 O MET A 11 -7.537 -7.921 11.758 1.00 0.00 O ATOM 227 CB MET A 11 -6.055 -6.814 9.055 1.00 0.00 C ATOM 228 CG MET A 11 -5.255 -5.573 8.674 1.00 0.00 C ATOM 229 SD MET A 11 -6.086 -4.036 9.132 1.00 0.00 S ATOM 230 CE MET A 11 -4.643 -3.003 9.485 1.00 0.00 C ATOM 0 H MET A 11 -3.823 -7.783 9.546 1.00 0.00 H new ATOM 0 HA MET A 11 -5.546 -6.502 11.144 1.00 0.00 H new ATOM 0 HB2 MET A 11 -5.894 -7.596 8.313 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.120 -6.581 9.046 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.280 -5.612 9.159 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.076 -5.578 7.599 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.972 -2.009 9.786 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.062 -3.452 10.291 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.024 -2.925 8.591 1.00 0.00 H new ATOM 240 N THR A 12 -6.775 -9.462 10.303 1.00 0.00 N ATOM 241 CA THR A 12 -7.707 -10.524 10.701 1.00 0.00 C ATOM 242 C THR A 12 -7.032 -11.892 10.806 1.00 0.00 C ATOM 243 O THR A 12 -7.524 -12.759 11.506 1.00 0.00 O ATOM 244 CB THR A 12 -8.870 -10.507 9.707 1.00 0.00 C ATOM 245 OG1 THR A 12 -10.057 -11.103 10.136 1.00 0.00 O ATOM 246 CG2 THR A 12 -8.492 -11.103 8.353 1.00 0.00 C ATOM 0 H THR A 12 -6.160 -9.719 9.531 1.00 0.00 H new ATOM 0 HA THR A 12 -8.080 -10.335 11.707 1.00 0.00 H new ATOM 0 HB THR A 12 -9.073 -9.440 9.616 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.731 -11.036 9.428 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.353 -11.066 7.686 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.672 -10.530 7.919 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.180 -12.139 8.486 1.00 0.00 H new ATOM 254 N GLY A 13 -5.915 -12.101 10.104 1.00 0.00 N ATOM 255 CA GLY A 13 -5.189 -13.367 9.989 1.00 0.00 C ATOM 256 C GLY A 13 -5.706 -14.254 8.852 1.00 0.00 C ATOM 257 O GLY A 13 -4.962 -15.065 8.325 1.00 0.00 O ATOM 0 H GLY A 13 -5.470 -11.352 9.573 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.131 -13.159 9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.267 -13.911 10.930 1.00 0.00 H new ATOM 261 N ILE A 14 -6.940 -14.028 8.394 1.00 0.00 N ATOM 262 CA ILE A 14 -7.575 -14.803 7.311 1.00 0.00 C ATOM 263 C ILE A 14 -7.240 -14.215 5.955 1.00 0.00 C ATOM 264 O ILE A 14 -6.905 -14.938 5.023 1.00 0.00 O ATOM 265 CB ILE A 14 -9.105 -14.856 7.473 1.00 0.00 C ATOM 266 CG1 ILE A 14 -9.470 -15.433 8.860 1.00 0.00 C ATOM 267 CG2 ILE A 14 -9.744 -15.662 6.340 1.00 0.00 C ATOM 268 CD1 ILE A 14 -9.897 -14.331 9.830 1.00 0.00 C ATOM 0 H ILE A 14 -7.540 -13.292 8.767 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.180 -15.817 7.375 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.503 -13.843 7.413 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.277 -16.158 8.753 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -8.613 -15.968 9.270 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.825 -15.686 6.475 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -9.508 -15.195 5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.354 -16.680 6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.146 -14.772 10.795 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.080 -13.621 9.956 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.770 -13.813 9.431 1.00 0.00 H new ATOM 280 N ARG A 15 -7.282 -12.878 5.862 1.00 0.00 N ATOM 281 CA ARG A 15 -6.833 -12.157 4.670 1.00 0.00 C ATOM 282 C ARG A 15 -5.476 -12.650 4.243 1.00 0.00 C ATOM 283 O ARG A 15 -5.265 -12.665 3.060 1.00 0.00 O ATOM 284 CB ARG A 15 -6.765 -10.644 4.876 1.00 0.00 C ATOM 285 CG ARG A 15 -8.168 -10.079 5.067 1.00 0.00 C ATOM 286 CD ARG A 15 -8.097 -8.776 5.893 1.00 0.00 C ATOM 287 NE ARG A 15 -9.419 -8.429 6.466 1.00 0.00 N ATOM 288 CZ ARG A 15 -9.799 -7.283 6.984 1.00 0.00 C ATOM 289 NH1 ARG A 15 -8.982 -6.274 7.017 1.00 0.00 N ATOM 290 NH2 ARG A 15 -10.991 -7.139 7.478 1.00 0.00 N ATOM 0 H ARG A 15 -7.626 -12.273 6.607 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.575 -12.354 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.150 -10.415 5.746 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.288 -10.173 4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.626 -9.882 4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.798 -10.809 5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.369 -8.891 6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.747 -7.960 5.260 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.119 -9.170 6.457 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.039 -6.369 6.639 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.283 -5.387 7.421 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.646 -7.921 7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.273 -6.244 7.877 1.00 0.00 H new ATOM 304 N GLU A 16 -4.592 -13.067 5.147 1.00 0.00 N ATOM 305 CA GLU A 16 -3.257 -13.594 4.832 1.00 0.00 C ATOM 306 C GLU A 16 -3.233 -14.631 3.725 1.00 0.00 C ATOM 307 O GLU A 16 -2.531 -14.438 2.732 1.00 0.00 O ATOM 308 CB GLU A 16 -2.617 -14.181 6.086 1.00 0.00 C ATOM 309 CG GLU A 16 -1.087 -14.111 5.951 1.00 0.00 C ATOM 310 CD GLU A 16 -0.452 -15.472 6.184 1.00 0.00 C ATOM 311 OE1 GLU A 16 -0.640 -16.334 5.298 1.00 0.00 O ATOM 312 OE2 GLU A 16 0.260 -15.585 7.203 1.00 0.00 O ATOM 0 H GLU A 16 -4.786 -13.049 6.148 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.688 -12.741 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.942 -13.629 6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.935 -15.215 6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.823 -13.749 4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.688 -13.393 6.668 1.00 0.00 H new ATOM 319 N ALA A 17 -4.077 -15.654 3.857 1.00 0.00 N ATOM 320 CA ALA A 17 -4.254 -16.687 2.848 1.00 0.00 C ATOM 321 C ALA A 17 -4.614 -16.098 1.482 1.00 0.00 C ATOM 322 O ALA A 17 -4.264 -16.669 0.461 1.00 0.00 O ATOM 323 CB ALA A 17 -5.356 -17.648 3.306 1.00 0.00 C ATOM 0 H ALA A 17 -4.663 -15.786 4.681 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.309 -17.218 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.495 -18.426 2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.070 -18.105 4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.288 -17.098 3.436 1.00 0.00 H new ATOM 329 N THR A 18 -5.278 -14.942 1.479 1.00 0.00 N ATOM 330 CA THR A 18 -5.573 -14.104 0.319 1.00 0.00 C ATOM 331 C THR A 18 -4.414 -13.182 -0.064 1.00 0.00 C ATOM 332 O THR A 18 -4.114 -13.071 -1.234 1.00 0.00 O ATOM 333 CB THR A 18 -6.869 -13.317 0.559 1.00 0.00 C ATOM 334 OG1 THR A 18 -7.889 -13.885 -0.220 1.00 0.00 O ATOM 335 CG2 THR A 18 -6.821 -11.845 0.214 1.00 0.00 C ATOM 0 H THR A 18 -5.647 -14.542 2.342 1.00 0.00 H new ATOM 0 HA THR A 18 -5.714 -14.766 -0.536 1.00 0.00 H new ATOM 0 HB THR A 18 -7.040 -13.381 1.634 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.724 -13.393 -0.075 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.789 -11.390 0.423 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.053 -11.356 0.813 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.586 -11.727 -0.844 1.00 0.00 H new ATOM 343 N LEU A 19 -3.762 -12.482 0.851 1.00 0.00 N ATOM 344 CA LEU A 19 -2.691 -11.535 0.551 1.00 0.00 C ATOM 345 C LEU A 19 -1.533 -12.255 -0.143 1.00 0.00 C ATOM 346 O LEU A 19 -1.106 -11.867 -1.225 1.00 0.00 O ATOM 347 CB LEU A 19 -2.214 -10.925 1.854 1.00 0.00 C ATOM 348 CG LEU A 19 -3.277 -10.180 2.697 1.00 0.00 C ATOM 349 CD1 LEU A 19 -2.967 -10.251 4.191 1.00 0.00 C ATOM 350 CD2 LEU A 19 -3.505 -8.731 2.278 1.00 0.00 C ATOM 0 H LEU A 19 -3.965 -12.556 1.848 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.060 -10.755 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.788 -11.719 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.407 -10.228 1.629 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.208 -10.711 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.736 -9.716 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.947 -11.293 4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.996 -9.794 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.264 -8.282 2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.573 -8.174 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.841 -8.701 1.241 1.00 0.00 H new ATOM 362 N ARG A 20 -1.090 -13.370 0.447 1.00 0.00 N ATOM 363 CA ARG A 20 -0.114 -14.270 -0.173 1.00 0.00 C ATOM 364 C ARG A 20 -0.665 -14.955 -1.418 1.00 0.00 C ATOM 365 O ARG A 20 0.092 -15.348 -2.292 1.00 0.00 O ATOM 366 CB ARG A 20 0.270 -15.375 0.799 1.00 0.00 C ATOM 367 CG ARG A 20 0.935 -14.852 2.075 1.00 0.00 C ATOM 368 CD ARG A 20 1.232 -15.993 3.052 1.00 0.00 C ATOM 369 NE ARG A 20 2.500 -16.681 2.752 1.00 0.00 N ATOM 370 CZ ARG A 20 2.687 -17.683 1.921 1.00 0.00 C ATOM 371 NH1 ARG A 20 1.700 -18.215 1.266 1.00 0.00 N ATOM 372 NH2 ARG A 20 3.878 -18.158 1.723 1.00 0.00 N ATOM 0 H ARG A 20 -1.399 -13.674 1.370 1.00 0.00 H new ATOM 0 HA ARG A 20 0.741 -13.650 -0.444 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.623 -15.940 1.068 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.948 -16.068 0.301 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.861 -14.337 1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.284 -14.120 2.554 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.269 -15.597 4.067 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.415 -16.714 3.021 1.00 0.00 H new ATOM 0 HE ARG A 20 3.326 -16.342 3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.753 -17.856 1.390 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.871 -18.991 0.627 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.676 -17.754 2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.016 -18.935 1.077 1.00 0.00 H new ATOM 386 N ALA A 21 -1.980 -15.164 -1.485 1.00 0.00 N ATOM 387 CA ALA A 21 -2.603 -15.696 -2.690 1.00 0.00 C ATOM 388 C ALA A 21 -2.483 -14.701 -3.810 1.00 0.00 C ATOM 389 O ALA A 21 -1.844 -15.052 -4.790 1.00 0.00 O ATOM 390 CB ALA A 21 -4.062 -16.078 -2.501 1.00 0.00 C ATOM 0 H ALA A 21 -2.629 -14.973 -0.721 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.068 -16.614 -2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.461 -16.466 -3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.141 -16.843 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.632 -15.199 -2.200 1.00 0.00 H new ATOM 396 N TRP A 22 -3.077 -13.512 -3.684 1.00 0.00 N ATOM 397 CA TRP A 22 -2.971 -12.424 -4.625 1.00 0.00 C ATOM 398 C TRP A 22 -1.559 -12.218 -5.105 1.00 0.00 C ATOM 399 O TRP A 22 -1.428 -11.976 -6.283 1.00 0.00 O ATOM 400 CB TRP A 22 -3.508 -11.137 -4.054 1.00 0.00 C ATOM 401 CG TRP A 22 -4.945 -11.085 -3.640 1.00 0.00 C ATOM 402 CD1 TRP A 22 -5.932 -11.896 -4.059 1.00 0.00 C ATOM 403 CD2 TRP A 22 -5.569 -10.182 -2.687 1.00 0.00 C ATOM 404 NE1 TRP A 22 -7.126 -11.506 -3.490 1.00 0.00 N ATOM 405 CE2 TRP A 22 -6.970 -10.427 -2.660 1.00 0.00 C ATOM 406 CE3 TRP A 22 -5.088 -9.241 -1.771 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -7.833 -9.757 -1.782 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -5.942 -8.529 -0.926 1.00 0.00 C ATOM 409 CH2 TRP A 22 -7.324 -8.784 -0.904 1.00 0.00 C ATOM 0 H TRP A 22 -3.668 -13.284 -2.884 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.582 -12.708 -5.482 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.903 -10.882 -3.184 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.348 -10.353 -4.794 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -5.809 -12.727 -4.738 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.019 -11.966 -3.666 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.025 -9.060 -1.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.888 -9.988 -1.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.533 -7.768 -0.277 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -7.977 -8.247 -0.231 1.00 0.00 H new ATOM 420 N GLU A 23 -0.538 -12.441 -4.291 1.00 0.00 N ATOM 421 CA GLU A 23 0.855 -12.451 -4.751 1.00 0.00 C ATOM 422 C GLU A 23 1.078 -13.268 -6.035 1.00 0.00 C ATOM 423 O GLU A 23 1.613 -12.752 -7.011 1.00 0.00 O ATOM 424 CB GLU A 23 1.724 -13.001 -3.619 1.00 0.00 C ATOM 425 CG GLU A 23 3.182 -12.568 -3.770 1.00 0.00 C ATOM 426 CD GLU A 23 3.998 -12.704 -2.459 1.00 0.00 C ATOM 427 OE1 GLU A 23 3.594 -13.490 -1.568 1.00 0.00 O ATOM 428 OE2 GLU A 23 5.050 -12.024 -2.334 1.00 0.00 O ATOM 0 H GLU A 23 -0.645 -12.621 -3.293 1.00 0.00 H new ATOM 0 HA GLU A 23 1.129 -11.427 -5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.338 -12.653 -2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.666 -14.089 -3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.654 -13.168 -4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.214 -11.531 -4.104 1.00 0.00 H new ATOM 435 N ARG A 24 0.634 -14.532 -6.051 1.00 0.00 N ATOM 436 CA ARG A 24 0.664 -15.409 -7.239 1.00 0.00 C ATOM 437 C ARG A 24 -0.619 -15.381 -8.066 1.00 0.00 C ATOM 438 O ARG A 24 -0.631 -15.900 -9.175 1.00 0.00 O ATOM 439 CB ARG A 24 0.973 -16.848 -6.804 1.00 0.00 C ATOM 440 CG ARG A 24 1.941 -17.475 -7.810 1.00 0.00 C ATOM 441 CD ARG A 24 2.198 -18.935 -7.446 1.00 0.00 C ATOM 442 NE ARG A 24 3.471 -19.412 -8.012 1.00 0.00 N ATOM 443 CZ ARG A 24 4.080 -20.540 -7.707 1.00 0.00 C ATOM 444 NH1 ARG A 24 3.565 -21.381 -6.857 1.00 0.00 N ATOM 445 NH2 ARG A 24 5.219 -20.846 -8.249 1.00 0.00 N ATOM 0 H ARG A 24 0.237 -14.985 -5.228 1.00 0.00 H new ATOM 0 HA ARG A 24 1.449 -15.022 -7.889 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.411 -16.854 -5.806 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.054 -17.431 -6.752 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.526 -17.410 -8.816 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.880 -16.922 -7.816 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.216 -19.044 -6.362 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.379 -19.553 -7.814 1.00 0.00 H new ATOM 0 HE ARG A 24 3.923 -18.814 -8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.671 -21.173 -6.411 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.055 -22.248 -6.637 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.652 -20.210 -8.919 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.681 -21.722 -8.005 1.00 0.00 H new ATOM 459 N ARG A 25 -1.709 -14.861 -7.505 1.00 0.00 N ATOM 460 CA ARG A 25 -3.043 -14.800 -8.122 1.00 0.00 C ATOM 461 C ARG A 25 -3.131 -13.627 -9.090 1.00 0.00 C ATOM 462 O ARG A 25 -3.422 -13.824 -10.259 1.00 0.00 O ATOM 463 CB ARG A 25 -4.135 -14.742 -7.037 1.00 0.00 C ATOM 464 CG ARG A 25 -5.338 -15.615 -7.340 1.00 0.00 C ATOM 465 CD ARG A 25 -6.089 -15.975 -6.041 1.00 0.00 C ATOM 466 NE ARG A 25 -6.011 -17.426 -5.790 1.00 0.00 N ATOM 467 CZ ARG A 25 -6.615 -18.363 -6.499 1.00 0.00 C ATOM 468 NH1 ARG A 25 -7.397 -18.060 -7.499 1.00 0.00 N ATOM 469 NH2 ARG A 25 -6.439 -19.617 -6.220 1.00 0.00 N ATOM 0 H ARG A 25 -1.692 -14.453 -6.570 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.209 -15.708 -8.701 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.705 -15.049 -6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.465 -13.710 -6.921 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.010 -15.094 -8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.015 -16.526 -7.844 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.658 -15.430 -5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.132 -15.668 -6.119 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.442 -17.733 -5.001 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.552 -17.083 -7.747 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.853 -18.800 -8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.830 -19.887 -5.448 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.910 -20.333 -6.773 1.00 0.00 H new ATOM 483 N TYR A 26 -2.909 -12.425 -8.567 1.00 0.00 N ATOM 484 CA TYR A 26 -2.988 -11.140 -9.268 1.00 0.00 C ATOM 485 C TYR A 26 -1.703 -10.327 -9.097 1.00 0.00 C ATOM 486 O TYR A 26 -0.978 -10.072 -10.048 1.00 0.00 O ATOM 487 CB TYR A 26 -4.212 -10.345 -8.770 1.00 0.00 C ATOM 488 CG TYR A 26 -5.465 -11.163 -8.637 1.00 0.00 C ATOM 489 CD1 TYR A 26 -6.287 -11.405 -9.747 1.00 0.00 C ATOM 490 CD2 TYR A 26 -5.772 -11.729 -7.394 1.00 0.00 C ATOM 491 CE1 TYR A 26 -7.424 -12.208 -9.601 1.00 0.00 C ATOM 492 CE2 TYR A 26 -6.864 -12.597 -7.267 1.00 0.00 C ATOM 493 CZ TYR A 26 -7.711 -12.822 -8.371 1.00 0.00 C ATOM 494 OH TYR A 26 -8.744 -13.692 -8.295 1.00 0.00 O ATOM 0 H TYR A 26 -2.654 -12.311 -7.586 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.105 -11.339 -10.333 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.975 -9.904 -7.802 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.401 -9.521 -9.458 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.045 -10.975 -10.708 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.166 -11.496 -6.531 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.086 -12.357 -10.441 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.056 -13.092 -6.327 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.570 -14.345 -7.586 1.00 0.00 H new ATOM 504 N GLY A 27 -1.482 -9.863 -7.877 1.00 0.00 N ATOM 505 CA GLY A 27 -0.330 -9.109 -7.423 1.00 0.00 C ATOM 506 C GLY A 27 -0.759 -7.963 -6.535 1.00 0.00 C ATOM 507 O GLY A 27 0.098 -7.217 -6.096 1.00 0.00 O ATOM 0 H GLY A 27 -2.154 -10.016 -7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.348 -9.765 -6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.221 -8.724 -8.281 1.00 0.00 H new ATOM 511 N PHE A 28 -2.068 -7.746 -6.364 1.00 0.00 N ATOM 512 CA PHE A 28 -2.619 -6.728 -5.493 1.00 0.00 C ATOM 513 C PHE A 28 -2.729 -7.255 -4.041 1.00 0.00 C ATOM 514 O PHE A 28 -3.218 -8.352 -3.864 1.00 0.00 O ATOM 515 CB PHE A 28 -3.968 -6.270 -6.058 1.00 0.00 C ATOM 516 CG PHE A 28 -4.921 -5.664 -5.053 1.00 0.00 C ATOM 517 CD1 PHE A 28 -5.640 -6.478 -4.146 1.00 0.00 C ATOM 518 CD2 PHE A 28 -5.106 -4.271 -5.032 1.00 0.00 C ATOM 519 CE1 PHE A 28 -6.532 -5.915 -3.235 1.00 0.00 C ATOM 520 CE2 PHE A 28 -6.026 -3.714 -4.150 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.760 -4.535 -3.280 1.00 0.00 C ATOM 0 H PHE A 28 -2.783 -8.293 -6.844 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.956 -5.864 -5.456 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.783 -5.539 -6.845 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.456 -7.125 -6.526 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.496 -7.548 -4.160 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.537 -3.637 -5.696 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.038 -6.532 -2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.176 -2.645 -4.135 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.510 -4.097 -2.638 1.00 0.00 H new ATOM 531 N PRO A 29 -2.389 -6.485 -3.006 1.00 0.00 N ATOM 532 CA PRO A 29 -1.674 -5.262 -3.211 1.00 0.00 C ATOM 533 C PRO A 29 -0.254 -5.554 -3.690 1.00 0.00 C ATOM 534 O PRO A 29 0.317 -6.600 -3.400 1.00 0.00 O ATOM 535 CB PRO A 29 -1.711 -4.580 -1.884 1.00 0.00 C ATOM 536 CG PRO A 29 -1.955 -5.656 -0.804 1.00 0.00 C ATOM 537 CD PRO A 29 -2.491 -6.841 -1.594 1.00 0.00 C ATOM 0 HA PRO A 29 -2.110 -4.629 -3.984 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.773 -4.058 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.503 -3.831 -1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.036 -5.909 -0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.670 -5.317 -0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.915 -7.741 -1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.525 -7.052 -1.322 1.00 0.00 H new ATOM 545 N ARG A 30 0.304 -4.609 -4.438 1.00 0.00 N ATOM 546 CA ARG A 30 1.648 -4.719 -5.012 1.00 0.00 C ATOM 547 C ARG A 30 2.689 -4.200 -4.016 1.00 0.00 C ATOM 548 O ARG A 30 2.701 -3.002 -3.720 1.00 0.00 O ATOM 549 CB ARG A 30 1.728 -4.040 -6.375 1.00 0.00 C ATOM 550 CG ARG A 30 1.426 -2.536 -6.305 1.00 0.00 C ATOM 551 CD ARG A 30 0.379 -2.141 -7.329 1.00 0.00 C ATOM 552 NE ARG A 30 0.137 -0.691 -7.262 1.00 0.00 N ATOM 553 CZ ARG A 30 -0.840 -0.037 -7.850 1.00 0.00 C ATOM 554 NH1 ARG A 30 -1.719 -0.677 -8.564 1.00 0.00 N ATOM 555 NH2 ARG A 30 -0.958 1.248 -7.730 1.00 0.00 N ATOM 0 H ARG A 30 -0.166 -3.733 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 30 1.874 -5.770 -5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.724 -4.188 -6.792 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.023 -4.517 -7.056 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.077 -2.278 -5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.341 -1.970 -6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.713 -2.417 -8.329 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.548 -2.683 -7.142 1.00 0.00 H new ATOM 0 HE ARG A 30 0.791 -0.140 -6.705 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.651 -1.689 -8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.476 -0.167 -9.019 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.285 1.772 -7.171 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.724 1.735 -8.195 1.00 0.00 H new ATOM 569 N PRO A 31 3.564 -5.057 -3.491 1.00 0.00 N ATOM 570 CA PRO A 31 4.616 -4.610 -2.605 1.00 0.00 C ATOM 571 C PRO A 31 5.664 -3.821 -3.397 1.00 0.00 C ATOM 572 O PRO A 31 6.232 -4.303 -4.381 1.00 0.00 O ATOM 573 CB PRO A 31 5.173 -5.875 -1.976 1.00 0.00 C ATOM 574 CG PRO A 31 4.743 -7.038 -2.869 1.00 0.00 C ATOM 575 CD PRO A 31 3.681 -6.470 -3.795 1.00 0.00 C ATOM 0 HA PRO A 31 4.265 -3.930 -1.829 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.259 -5.825 -1.903 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.791 -6.004 -0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.588 -7.431 -3.435 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.346 -7.862 -2.276 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.960 -6.618 -4.838 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.728 -6.977 -3.645 1.00 0.00 H new ATOM 583 N LEU A 32 5.900 -2.584 -2.978 1.00 0.00 N ATOM 584 CA LEU A 32 6.967 -1.740 -3.516 1.00 0.00 C ATOM 585 C LEU A 32 8.346 -2.341 -3.190 1.00 0.00 C ATOM 586 O LEU A 32 8.488 -3.283 -2.404 1.00 0.00 O ATOM 587 CB LEU A 32 6.819 -0.262 -3.067 1.00 0.00 C ATOM 588 CG LEU A 32 6.077 -0.025 -1.732 1.00 0.00 C ATOM 589 CD1 LEU A 32 6.538 1.266 -1.059 1.00 0.00 C ATOM 590 CD2 LEU A 32 4.547 -0.046 -1.937 1.00 0.00 C ATOM 0 H LEU A 32 5.352 -2.131 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 32 6.878 -1.721 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.815 0.173 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.295 0.284 -3.852 1.00 0.00 H new ATOM 0 HG LEU A 32 6.330 -0.845 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.996 1.402 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.607 1.208 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.340 2.111 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.050 0.123 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.263 0.739 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.247 -1.015 -2.336 1.00 0.00 H new ATOM 732 N VAL A 41 7.454 -3.775 1.520 1.00 0.00 N ATOM 733 CA VAL A 41 6.523 -2.933 2.264 1.00 0.00 C ATOM 734 C VAL A 41 5.374 -2.572 1.335 1.00 0.00 C ATOM 735 O VAL A 41 5.439 -2.775 0.123 1.00 0.00 O ATOM 736 CB VAL A 41 7.273 -1.736 2.929 1.00 0.00 C ATOM 737 CG1 VAL A 41 8.607 -1.370 2.253 1.00 0.00 C ATOM 738 CG2 VAL A 41 6.474 -0.428 3.038 1.00 0.00 C ATOM 0 HA VAL A 41 6.080 -3.454 3.112 1.00 0.00 H new ATOM 0 HB VAL A 41 7.441 -2.141 3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.062 -0.529 2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.280 -2.227 2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.425 -1.094 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.089 0.335 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.187 -0.093 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.578 -0.597 3.636 1.00 0.00 H new ATOM 748 N TYR A 42 4.307 -2.085 1.939 1.00 0.00 N ATOM 749 CA TYR A 42 3.105 -1.619 1.274 1.00 0.00 C ATOM 750 C TYR A 42 2.831 -0.146 1.583 1.00 0.00 C ATOM 751 O TYR A 42 3.510 0.465 2.416 1.00 0.00 O ATOM 752 CB TYR A 42 1.996 -2.529 1.767 1.00 0.00 C ATOM 753 CG TYR A 42 2.045 -3.888 1.122 1.00 0.00 C ATOM 754 CD1 TYR A 42 2.904 -4.890 1.604 1.00 0.00 C ATOM 755 CD2 TYR A 42 1.261 -4.130 -0.005 1.00 0.00 C ATOM 756 CE1 TYR A 42 2.942 -6.151 0.987 1.00 0.00 C ATOM 757 CE2 TYR A 42 1.293 -5.395 -0.593 1.00 0.00 C ATOM 758 CZ TYR A 42 2.084 -6.426 -0.092 1.00 0.00 C ATOM 759 OH TYR A 42 2.013 -7.656 -0.652 1.00 0.00 O ATOM 0 H TYR A 42 4.252 -2.000 2.954 1.00 0.00 H new ATOM 0 HA TYR A 42 3.195 -1.665 0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.073 -2.639 2.849 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.031 -2.066 1.562 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.539 -4.689 2.454 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.638 -3.350 -0.417 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.628 -6.907 1.340 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.684 -5.581 -1.466 1.00 0.00 H new ATOM 0 HH TYR A 42 1.361 -7.645 -1.384 1.00 0.00 H new ATOM 769 N SER A 43 1.825 0.422 0.939 1.00 0.00 N ATOM 770 CA SER A 43 1.382 1.800 1.133 1.00 0.00 C ATOM 771 C SER A 43 0.072 1.852 1.922 1.00 0.00 C ATOM 772 O SER A 43 -0.805 1.005 1.834 1.00 0.00 O ATOM 773 CB SER A 43 1.286 2.555 -0.205 1.00 0.00 C ATOM 774 OG SER A 43 1.304 1.741 -1.360 1.00 0.00 O ATOM 0 H SER A 43 1.273 -0.078 0.242 1.00 0.00 H new ATOM 0 HA SER A 43 2.136 2.314 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.367 3.141 -0.208 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.114 3.261 -0.265 1.00 0.00 H new ATOM 0 HG SER A 43 1.237 2.305 -2.159 1.00 0.00 H new ATOM 780 N ARG A 44 -0.127 2.905 2.711 1.00 0.00 N ATOM 781 CA ARG A 44 -1.409 3.058 3.421 1.00 0.00 C ATOM 782 C ARG A 44 -2.577 3.304 2.466 1.00 0.00 C ATOM 783 O ARG A 44 -3.664 2.791 2.704 1.00 0.00 O ATOM 784 CB ARG A 44 -1.285 4.180 4.437 1.00 0.00 C ATOM 785 CG ARG A 44 -2.529 4.274 5.335 1.00 0.00 C ATOM 786 CD ARG A 44 -2.192 3.885 6.773 1.00 0.00 C ATOM 787 NE ARG A 44 -3.312 4.200 7.672 1.00 0.00 N ATOM 788 CZ ARG A 44 -4.405 3.488 7.846 1.00 0.00 C ATOM 789 NH1 ARG A 44 -4.576 2.352 7.232 1.00 0.00 N ATOM 790 NH2 ARG A 44 -5.349 3.905 8.632 1.00 0.00 N ATOM 0 H ARG A 44 0.554 3.646 2.877 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.630 2.123 3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.402 4.016 5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.139 5.127 3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.924 5.290 5.312 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.311 3.619 4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.967 2.820 6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.297 4.416 7.099 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.234 5.059 8.217 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.855 1.999 6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.431 1.815 7.381 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.249 4.793 9.123 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.192 3.344 8.759 1.00 0.00 H new ATOM 804 N GLU A 45 -2.331 4.068 1.410 1.00 0.00 N ATOM 805 CA GLU A 45 -3.314 4.359 0.364 1.00 0.00 C ATOM 806 C GLU A 45 -3.707 3.108 -0.430 1.00 0.00 C ATOM 807 O GLU A 45 -4.852 2.964 -0.821 1.00 0.00 O ATOM 808 CB GLU A 45 -2.762 5.413 -0.606 1.00 0.00 C ATOM 809 CG GLU A 45 -1.357 5.072 -1.141 1.00 0.00 C ATOM 810 CD GLU A 45 -1.066 5.700 -2.501 1.00 0.00 C ATOM 811 OE1 GLU A 45 -0.977 6.943 -2.552 1.00 0.00 O ATOM 812 OE2 GLU A 45 -0.857 4.905 -3.449 1.00 0.00 O ATOM 0 H GLU A 45 -1.427 4.513 1.249 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.205 4.737 0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.448 5.518 -1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.727 6.378 -0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.609 5.411 -0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.257 3.989 -1.218 1.00 0.00 H new ATOM 819 N GLU A 46 -2.787 2.169 -0.649 1.00 0.00 N ATOM 820 CA GLU A 46 -3.106 0.916 -1.338 1.00 0.00 C ATOM 821 C GLU A 46 -3.877 -0.007 -0.405 1.00 0.00 C ATOM 822 O GLU A 46 -4.844 -0.658 -0.820 1.00 0.00 O ATOM 823 CB GLU A 46 -1.816 0.257 -1.836 1.00 0.00 C ATOM 824 CG GLU A 46 -1.808 -1.285 -1.744 1.00 0.00 C ATOM 825 CD GLU A 46 -1.368 -1.744 -0.344 1.00 0.00 C ATOM 826 OE1 GLU A 46 -0.383 -1.161 0.128 1.00 0.00 O ATOM 827 OE2 GLU A 46 -1.955 -2.683 0.243 1.00 0.00 O ATOM 0 H GLU A 46 -1.813 2.251 -0.359 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.737 1.123 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.652 0.547 -2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.977 0.647 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.803 -1.672 -1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.133 -1.696 -2.495 1.00 0.00 H new ATOM 834 N VAL A 47 -3.449 -0.039 0.861 1.00 0.00 N ATOM 835 CA VAL A 47 -4.094 -0.858 1.871 1.00 0.00 C ATOM 836 C VAL A 47 -5.555 -0.523 1.932 1.00 0.00 C ATOM 837 O VAL A 47 -6.317 -1.398 2.296 1.00 0.00 O ATOM 838 CB VAL A 47 -3.468 -0.662 3.266 1.00 0.00 C ATOM 839 CG1 VAL A 47 -4.447 -0.857 4.446 1.00 0.00 C ATOM 840 CG2 VAL A 47 -2.316 -1.633 3.469 1.00 0.00 C ATOM 0 H VAL A 47 -2.653 0.499 1.204 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.953 -1.901 1.586 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.140 0.377 3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.919 -0.700 5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.264 -0.140 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.850 -1.870 4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.884 -1.483 4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.683 -2.656 3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.554 -1.457 2.710 1.00 0.00 H new ATOM 850 N GLU A 48 -5.971 0.699 1.620 1.00 0.00 N ATOM 851 CA GLU A 48 -7.374 1.082 1.522 1.00 0.00 C ATOM 852 C GLU A 48 -8.185 0.118 0.660 1.00 0.00 C ATOM 853 O GLU A 48 -9.114 -0.517 1.175 1.00 0.00 O ATOM 854 CB GLU A 48 -7.470 2.494 0.959 1.00 0.00 C ATOM 855 CG GLU A 48 -8.934 2.943 0.861 1.00 0.00 C ATOM 856 CD GLU A 48 -9.223 4.108 1.796 1.00 0.00 C ATOM 857 OE1 GLU A 48 -8.934 3.900 3.009 1.00 0.00 O ATOM 858 OE2 GLU A 48 -9.839 5.094 1.364 1.00 0.00 O ATOM 0 H GLU A 48 -5.329 1.467 1.424 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.800 1.044 2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.915 3.183 1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.007 2.529 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.159 3.234 -0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.589 2.107 1.106 1.00 0.00 H new ATOM 865 N ALA A 49 -7.814 -0.018 -0.616 1.00 0.00 N ATOM 866 CA ALA A 49 -8.476 -0.922 -1.541 1.00 0.00 C ATOM 867 C ALA A 49 -8.486 -2.315 -0.932 1.00 0.00 C ATOM 868 O ALA A 49 -9.533 -2.927 -0.791 1.00 0.00 O ATOM 869 CB ALA A 49 -7.751 -0.902 -2.884 1.00 0.00 C ATOM 0 H ALA A 49 -7.041 0.502 -1.032 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.505 -0.609 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.249 -1.581 -3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.768 0.109 -3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.718 -1.220 -2.744 1.00 0.00 H new ATOM 875 N VAL A 50 -7.333 -2.792 -0.462 1.00 0.00 N ATOM 876 CA VAL A 50 -7.184 -4.127 0.130 1.00 0.00 C ATOM 877 C VAL A 50 -8.073 -4.285 1.324 1.00 0.00 C ATOM 878 O VAL A 50 -8.753 -5.281 1.413 1.00 0.00 O ATOM 879 CB VAL A 50 -5.749 -4.401 0.549 1.00 0.00 C ATOM 880 CG1 VAL A 50 -5.599 -5.790 1.199 1.00 0.00 C ATOM 881 CG2 VAL A 50 -4.872 -4.227 -0.681 1.00 0.00 C ATOM 0 H VAL A 50 -6.464 -2.258 -0.481 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.470 -4.844 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.435 -3.696 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.559 -5.948 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.231 -5.847 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.901 -6.559 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.832 -4.417 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.184 -4.931 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.971 -3.209 -1.057 1.00 0.00 H new ATOM 891 N ARG A 51 -8.133 -3.318 2.223 1.00 0.00 N ATOM 892 CA ARG A 51 -9.026 -3.265 3.379 1.00 0.00 C ATOM 893 C ARG A 51 -10.469 -3.429 2.956 1.00 0.00 C ATOM 894 O ARG A 51 -11.203 -4.114 3.663 1.00 0.00 O ATOM 895 CB ARG A 51 -8.881 -1.917 4.090 1.00 0.00 C ATOM 896 CG ARG A 51 -8.257 -2.062 5.474 1.00 0.00 C ATOM 897 CD ARG A 51 -7.920 -0.692 6.078 1.00 0.00 C ATOM 898 NE ARG A 51 -9.118 -0.024 6.632 1.00 0.00 N ATOM 899 CZ ARG A 51 -10.004 0.713 5.972 1.00 0.00 C ATOM 900 NH1 ARG A 51 -9.880 0.976 4.705 1.00 0.00 N ATOM 901 NH2 ARG A 51 -11.050 1.184 6.586 1.00 0.00 N ATOM 0 H ARG A 51 -7.527 -2.499 2.167 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.751 -4.079 4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.266 -1.252 3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.861 -1.449 4.182 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.945 -2.593 6.132 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.351 -2.665 5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.176 -0.815 6.865 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.472 -0.058 5.313 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.282 -0.143 7.632 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.082 0.612 4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.581 1.546 4.231 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.191 0.988 7.577 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.729 1.750 6.076 1.00 0.00 H new ATOM 915 N ARG A 52 -10.858 -2.804 1.844 1.00 0.00 N ATOM 916 CA ARG A 52 -12.184 -2.942 1.249 1.00 0.00 C ATOM 917 C ARG A 52 -12.376 -4.326 0.697 1.00 0.00 C ATOM 918 O ARG A 52 -13.313 -4.959 1.142 1.00 0.00 O ATOM 919 CB ARG A 52 -12.424 -1.891 0.156 1.00 0.00 C ATOM 920 CG ARG A 52 -13.681 -1.101 0.517 1.00 0.00 C ATOM 921 CD ARG A 52 -13.896 0.007 -0.512 1.00 0.00 C ATOM 922 NE ARG A 52 -15.292 0.474 -0.522 1.00 0.00 N ATOM 923 CZ ARG A 52 -15.876 1.125 -1.519 1.00 0.00 C ATOM 924 NH1 ARG A 52 -15.256 1.439 -2.617 1.00 0.00 N ATOM 925 NH2 ARG A 52 -17.124 1.458 -1.399 1.00 0.00 N ATOM 0 H ARG A 52 -10.247 -2.176 1.323 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.917 -2.775 2.038 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.566 -1.223 0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.544 -2.373 -0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.546 -1.764 0.541 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.581 -0.672 1.514 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.233 0.844 -0.290 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.627 -0.359 -1.503 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.856 0.281 0.306 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.276 1.184 -2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.749 1.941 -3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.636 1.219 -0.550 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.593 1.959 -2.154 1.00 0.00 H new ATOM 939 N VAL A 53 -11.483 -4.775 -0.183 1.00 0.00 N ATOM 940 CA VAL A 53 -11.484 -6.078 -0.843 1.00 0.00 C ATOM 941 C VAL A 53 -11.542 -7.143 0.222 1.00 0.00 C ATOM 942 O VAL A 53 -12.556 -7.785 0.355 1.00 0.00 O ATOM 943 CB VAL A 53 -10.272 -6.238 -1.787 1.00 0.00 C ATOM 944 CG1 VAL A 53 -10.284 -7.606 -2.440 1.00 0.00 C ATOM 945 CG2 VAL A 53 -10.259 -5.158 -2.866 1.00 0.00 C ATOM 0 H VAL A 53 -10.690 -4.202 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.360 -6.174 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.371 -6.133 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.423 -7.701 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.237 -8.377 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.200 -7.725 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.393 -5.300 -3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.171 -5.226 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.204 -4.176 -2.397 1.00 0.00 H new ATOM 955 N ALA A 54 -10.546 -7.252 1.083 1.00 0.00 N ATOM 956 CA ALA A 54 -10.496 -8.146 2.226 1.00 0.00 C ATOM 957 C ALA A 54 -11.796 -8.192 3.038 1.00 0.00 C ATOM 958 O ALA A 54 -12.297 -9.271 3.336 1.00 0.00 O ATOM 959 CB ALA A 54 -9.374 -7.665 3.133 1.00 0.00 C ATOM 0 H ALA A 54 -9.702 -6.686 0.998 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.334 -9.155 1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.307 -8.315 4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.430 -7.690 2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.580 -6.645 3.456 1.00 0.00 H new ATOM 965 N ARG A 55 -12.316 -7.028 3.446 1.00 0.00 N ATOM 966 CA ARG A 55 -13.632 -6.953 4.092 1.00 0.00 C ATOM 967 C ARG A 55 -14.746 -7.517 3.217 1.00 0.00 C ATOM 968 O ARG A 55 -15.566 -8.259 3.720 1.00 0.00 O ATOM 969 CB ARG A 55 -13.959 -5.507 4.477 1.00 0.00 C ATOM 970 CG ARG A 55 -15.148 -5.469 5.449 1.00 0.00 C ATOM 971 CD ARG A 55 -16.515 -5.386 4.752 1.00 0.00 C ATOM 972 NE ARG A 55 -16.760 -4.049 4.197 1.00 0.00 N ATOM 973 CZ ARG A 55 -17.798 -3.725 3.449 1.00 0.00 C ATOM 974 NH1 ARG A 55 -18.725 -4.580 3.123 1.00 0.00 N ATOM 975 NH2 ARG A 55 -17.905 -2.500 3.021 1.00 0.00 N ATOM 0 H ARG A 55 -11.847 -6.128 3.341 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.576 -7.569 4.990 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.088 -5.041 4.938 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.193 -4.930 3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.123 -6.361 6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.036 -4.611 6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.562 -6.126 3.953 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.302 -5.635 5.464 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.079 -3.318 4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.666 -5.545 3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.510 -4.285 2.542 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.194 -1.811 3.265 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.700 -2.230 2.442 1.00 0.00 H new ATOM 989 N LEU A 56 -14.818 -7.110 1.960 1.00 0.00 N ATOM 990 CA LEU A 56 -15.797 -7.590 0.989 1.00 0.00 C ATOM 991 C LEU A 56 -15.688 -9.102 0.785 1.00 0.00 C ATOM 992 O LEU A 56 -16.681 -9.798 0.701 1.00 0.00 O ATOM 993 CB LEU A 56 -15.552 -6.873 -0.348 1.00 0.00 C ATOM 994 CG LEU A 56 -16.760 -6.048 -0.824 1.00 0.00 C ATOM 995 CD1 LEU A 56 -16.279 -4.809 -1.591 1.00 0.00 C ATOM 996 CD2 LEU A 56 -17.746 -6.878 -1.660 1.00 0.00 C ATOM 0 H LEU A 56 -14.179 -6.416 1.572 1.00 0.00 H new ATOM 0 HA LEU A 56 -16.798 -7.376 1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.688 -6.216 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.303 -7.612 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.310 -5.724 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -17.140 -4.230 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.660 -4.194 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.694 -5.121 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.580 -6.248 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.237 -7.267 -2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.122 -7.708 -1.062 1.00 0.00 H new ATOM 1008 N ILE A 57 -14.470 -9.634 0.736 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.224 -11.069 0.712 1.00 0.00 C ATOM 1010 C ILE A 57 -14.802 -11.764 1.917 1.00 0.00 C ATOM 1011 O ILE A 57 -15.307 -12.863 1.776 1.00 0.00 O ATOM 1012 CB ILE A 57 -12.722 -11.402 0.638 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -12.298 -11.363 -0.827 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -12.290 -12.749 1.293 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -11.706 -10.052 -1.227 1.00 0.00 C ATOM 0 H ILE A 57 -13.618 -9.073 0.712 1.00 0.00 H new ATOM 0 HA ILE A 57 -14.720 -11.430 -0.189 1.00 0.00 H new ATOM 0 HB ILE A 57 -12.212 -10.646 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -11.572 -12.155 -1.011 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.163 -11.572 -1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.214 -12.879 1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -12.546 -12.737 2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -12.808 -13.574 0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.424 -10.086 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.439 -9.260 -1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.822 -9.852 -0.621 1.00 0.00 H new ATOM 1027 N GLN A 58 -14.696 -11.155 3.091 1.00 0.00 N ATOM 1028 CA GLN A 58 -15.340 -11.716 4.276 1.00 0.00 C ATOM 1029 C GLN A 58 -16.826 -12.067 4.047 1.00 0.00 C ATOM 1030 O GLN A 58 -17.347 -12.946 4.712 1.00 0.00 O ATOM 1031 CB GLN A 58 -15.177 -10.744 5.458 1.00 0.00 C ATOM 1032 CG GLN A 58 -14.470 -11.338 6.671 1.00 0.00 C ATOM 1033 CD GLN A 58 -14.894 -12.751 7.037 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -16.028 -13.072 7.309 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -13.952 -13.652 7.140 1.00 0.00 N ATOM 0 H GLN A 58 -14.181 -10.289 3.250 1.00 0.00 H new ATOM 0 HA GLN A 58 -14.843 -12.659 4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -14.619 -9.871 5.120 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.163 -10.394 5.763 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -13.396 -11.335 6.484 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.646 -10.689 7.529 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.987 -13.409 6.917 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -14.182 -14.598 7.443 1.00 0.00 H new ATOM 1044 N GLU A 59 -17.481 -11.421 3.086 1.00 0.00 N ATOM 1045 CA GLU A 59 -18.863 -11.702 2.700 1.00 0.00 C ATOM 1046 C GLU A 59 -18.950 -12.999 1.884 1.00 0.00 C ATOM 1047 O GLU A 59 -19.639 -13.932 2.274 1.00 0.00 O ATOM 1048 CB GLU A 59 -19.427 -10.509 1.917 1.00 0.00 C ATOM 1049 CG GLU A 59 -19.172 -9.157 2.627 1.00 0.00 C ATOM 1050 CD GLU A 59 -20.448 -8.460 3.076 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -20.980 -7.664 2.269 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -20.741 -8.547 4.287 1.00 0.00 O ATOM 0 H GLU A 59 -17.057 -10.670 2.541 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.464 -11.846 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -18.977 -10.485 0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.499 -10.645 1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -18.534 -9.325 3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -18.625 -8.498 1.952 1.00 0.00 H new ATOM 1059 N GLU A 60 -18.212 -13.070 0.774 1.00 0.00 N ATOM 1060 CA GLU A 60 -18.182 -14.256 -0.104 1.00 0.00 C ATOM 1061 C GLU A 60 -16.775 -14.665 -0.513 1.00 0.00 C ATOM 1062 O GLU A 60 -16.427 -15.840 -0.580 1.00 0.00 O ATOM 1063 CB GLU A 60 -19.024 -13.991 -1.359 1.00 0.00 C ATOM 1064 CG GLU A 60 -20.517 -14.066 -1.032 1.00 0.00 C ATOM 1065 CD GLU A 60 -21.343 -14.207 -2.315 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -21.437 -15.353 -2.816 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -21.829 -13.169 -2.813 1.00 0.00 O ATOM 0 H GLU A 60 -17.615 -12.308 0.453 1.00 0.00 H new ATOM 0 HA GLU A 60 -18.598 -15.083 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -18.784 -13.008 -1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.778 -14.722 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -20.709 -14.914 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -20.822 -13.169 -0.493 1.00 0.00 H new ATOM 1074 N GLY A 61 -15.944 -13.684 -0.827 1.00 0.00 N ATOM 1075 CA GLY A 61 -14.561 -13.951 -1.204 1.00 0.00 C ATOM 1076 C GLY A 61 -14.339 -13.786 -2.685 1.00 0.00 C ATOM 1077 O GLY A 61 -13.227 -13.496 -3.102 1.00 0.00 O ATOM 0 H GLY A 61 -16.200 -12.697 -0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.900 -13.276 -0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.294 -14.965 -0.908 1.00 0.00 H new ATOM 1081 N LEU A 62 -15.404 -13.846 -3.476 1.00 0.00 N ATOM 1082 CA LEU A 62 -15.363 -13.527 -4.899 1.00 0.00 C ATOM 1083 C LEU A 62 -14.790 -12.137 -5.155 1.00 0.00 C ATOM 1084 O LEU A 62 -13.990 -11.986 -6.080 1.00 0.00 O ATOM 1085 CB LEU A 62 -16.767 -13.721 -5.488 1.00 0.00 C ATOM 1086 CG LEU A 62 -17.169 -12.696 -6.570 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -16.285 -12.870 -7.821 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -18.637 -12.865 -6.927 1.00 0.00 C ATOM 0 H LEU A 62 -16.329 -14.120 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.681 -14.208 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -16.830 -14.722 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -17.494 -13.675 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.020 -11.690 -6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.578 -12.142 -8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.240 -12.715 -7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.411 -13.877 -8.219 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -18.912 -12.138 -7.691 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.805 -13.872 -7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -19.248 -12.706 -6.039 1.00 0.00 H new ATOM 1100 N SER A 63 -15.065 -11.179 -4.263 1.00 0.00 N ATOM 1101 CA SER A 63 -14.436 -9.862 -4.312 1.00 0.00 C ATOM 1102 C SER A 63 -12.927 -9.929 -4.438 1.00 0.00 C ATOM 1103 O SER A 63 -12.308 -8.969 -4.838 1.00 0.00 O ATOM 1104 CB SER A 63 -14.745 -9.051 -3.077 1.00 0.00 C ATOM 1105 OG SER A 63 -15.661 -8.071 -3.462 1.00 0.00 O ATOM 0 H SER A 63 -15.725 -11.297 -3.494 1.00 0.00 H new ATOM 0 HA SER A 63 -14.853 -9.389 -5.201 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.161 -9.683 -2.292 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.839 -8.598 -2.674 1.00 0.00 H new ATOM 0 HG SER A 63 -16.398 -8.488 -3.955 1.00 0.00 H new ATOM 1111 N VAL A 64 -12.270 -11.040 -4.180 1.00 0.00 N ATOM 1112 CA VAL A 64 -10.897 -11.229 -4.631 1.00 0.00 C ATOM 1113 C VAL A 64 -10.732 -10.854 -6.095 1.00 0.00 C ATOM 1114 O VAL A 64 -10.071 -9.873 -6.361 1.00 0.00 O ATOM 1115 CB VAL A 64 -10.471 -12.666 -4.344 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -9.308 -13.086 -5.206 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -10.079 -12.859 -2.884 1.00 0.00 C ATOM 0 H VAL A 64 -12.659 -11.828 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.239 -10.558 -4.079 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.338 -13.286 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.034 -14.115 -4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.590 -13.016 -6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.458 -12.432 -5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.782 -13.895 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.245 -12.200 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.929 -12.620 -2.244 1.00 0.00 H new ATOM 1127 N SER A 65 -11.262 -11.618 -7.041 1.00 0.00 N ATOM 1128 CA SER A 65 -11.093 -11.259 -8.447 1.00 0.00 C ATOM 1129 C SER A 65 -12.053 -10.159 -8.814 1.00 0.00 C ATOM 1130 O SER A 65 -11.749 -9.424 -9.730 1.00 0.00 O ATOM 1131 CB SER A 65 -11.365 -12.462 -9.343 1.00 0.00 C ATOM 1132 OG SER A 65 -10.536 -12.472 -10.485 1.00 0.00 O ATOM 0 H SER A 65 -11.799 -12.468 -6.871 1.00 0.00 H new ATOM 0 HA SER A 65 -10.066 -10.924 -8.591 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.210 -13.379 -8.775 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.410 -12.453 -9.654 1.00 0.00 H new ATOM 0 HG SER A 65 -10.741 -13.259 -11.031 1.00 0.00 H new ATOM 1138 N GLU A 66 -13.186 -10.026 -8.122 1.00 0.00 N ATOM 1139 CA GLU A 66 -14.165 -8.994 -8.433 1.00 0.00 C ATOM 1140 C GLU A 66 -13.683 -7.640 -7.988 1.00 0.00 C ATOM 1141 O GLU A 66 -13.502 -6.817 -8.846 1.00 0.00 O ATOM 1142 CB GLU A 66 -15.520 -9.271 -7.798 1.00 0.00 C ATOM 1143 CG GLU A 66 -16.562 -9.582 -8.878 1.00 0.00 C ATOM 1144 CD GLU A 66 -17.949 -9.172 -8.398 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -18.226 -9.367 -7.195 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -18.654 -8.553 -9.222 1.00 0.00 O ATOM 0 H GLU A 66 -13.445 -10.626 -7.339 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.285 -9.005 -9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.440 -10.111 -7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.839 -8.407 -7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.315 -9.051 -9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.549 -10.647 -9.112 1.00 0.00 H new ATOM 1153 N ALA A 67 -13.421 -7.404 -6.706 1.00 0.00 N ATOM 1154 CA ALA A 67 -12.874 -6.165 -6.154 1.00 0.00 C ATOM 1155 C ALA A 67 -11.506 -5.845 -6.754 1.00 0.00 C ATOM 1156 O ALA A 67 -11.259 -4.696 -7.067 1.00 0.00 O ATOM 1157 CB ALA A 67 -12.716 -6.266 -4.652 1.00 0.00 C ATOM 0 H ALA A 67 -13.592 -8.106 -5.986 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.579 -5.372 -6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.308 -5.332 -4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -13.688 -6.453 -4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.038 -7.085 -4.412 1.00 0.00 H new ATOM 1163 N ILE A 68 -10.589 -6.813 -6.916 1.00 0.00 N ATOM 1164 CA ILE A 68 -9.334 -6.541 -7.639 1.00 0.00 C ATOM 1165 C ILE A 68 -9.640 -6.140 -9.071 1.00 0.00 C ATOM 1166 O ILE A 68 -9.148 -5.114 -9.502 1.00 0.00 O ATOM 1167 CB ILE A 68 -8.373 -7.731 -7.622 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -7.870 -7.895 -6.171 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -7.209 -7.589 -8.628 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -6.892 -9.053 -6.056 1.00 0.00 C ATOM 0 H ILE A 68 -10.687 -7.766 -6.567 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.835 -5.722 -7.121 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.902 -8.627 -7.947 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.387 -6.974 -5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.717 -8.064 -5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.565 -8.466 -8.565 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.609 -7.505 -9.638 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.630 -6.696 -8.391 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.555 -9.144 -5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.385 -9.977 -6.360 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.034 -8.870 -6.703 1.00 0.00 H new ATOM 1182 N ALA A 69 -10.424 -6.902 -9.831 1.00 0.00 N ATOM 1183 CA ALA A 69 -10.774 -6.487 -11.191 1.00 0.00 C ATOM 1184 C ALA A 69 -11.578 -5.183 -11.217 1.00 0.00 C ATOM 1185 O ALA A 69 -11.408 -4.436 -12.166 1.00 0.00 O ATOM 1186 CB ALA A 69 -11.529 -7.602 -11.903 1.00 0.00 C ATOM 0 H ALA A 69 -10.823 -7.794 -9.538 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.842 -6.291 -11.721 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.784 -7.281 -12.913 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.902 -8.492 -11.952 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.442 -7.831 -11.354 1.00 0.00 H new ATOM 1192 N GLN A 70 -12.379 -4.895 -10.189 1.00 0.00 N ATOM 1193 CA GLN A 70 -13.250 -3.730 -10.019 1.00 0.00 C ATOM 1194 C GLN A 70 -12.368 -2.530 -9.786 1.00 0.00 C ATOM 1195 O GLN A 70 -12.324 -1.670 -10.631 1.00 0.00 O ATOM 1196 CB GLN A 70 -14.251 -3.883 -8.864 1.00 0.00 C ATOM 1197 CG GLN A 70 -15.548 -4.563 -9.324 1.00 0.00 C ATOM 1198 CD GLN A 70 -16.453 -4.897 -8.141 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -16.805 -4.063 -7.325 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -16.852 -6.135 -7.989 1.00 0.00 N ATOM 0 H GLN A 70 -12.440 -5.523 -9.387 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.852 -3.617 -10.920 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.797 -4.468 -8.064 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.482 -2.902 -8.450 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.078 -3.908 -10.016 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -15.308 -5.476 -9.869 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.569 -6.848 -8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.446 -6.386 -7.199 1.00 0.00 H new ATOM 1209 N VAL A 71 -11.546 -2.527 -8.740 1.00 0.00 N ATOM 1210 CA VAL A 71 -10.599 -1.444 -8.453 1.00 0.00 C ATOM 1211 C VAL A 71 -9.606 -1.245 -9.603 1.00 0.00 C ATOM 1212 O VAL A 71 -9.162 -0.140 -9.877 1.00 0.00 O ATOM 1213 CB VAL A 71 -9.864 -1.714 -7.129 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -8.612 -2.593 -7.267 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -9.468 -0.392 -6.483 1.00 0.00 C ATOM 0 H VAL A 71 -11.516 -3.284 -8.057 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.166 -0.519 -8.352 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.568 -2.269 -6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.156 -2.733 -6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.892 -3.563 -7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.899 -2.108 -7.933 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.948 -0.587 -5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.810 0.159 -7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.362 0.199 -6.286 1.00 0.00 H new ATOM 1225 N LYS A 72 -9.209 -2.332 -10.277 1.00 0.00 N ATOM 1226 CA LYS A 72 -8.288 -2.285 -11.418 1.00 0.00 C ATOM 1227 C LYS A 72 -8.931 -1.654 -12.634 1.00 0.00 C ATOM 1228 O LYS A 72 -8.274 -0.835 -13.268 1.00 0.00 O ATOM 1229 CB LYS A 72 -7.791 -3.685 -11.783 1.00 0.00 C ATOM 1230 CG LYS A 72 -6.645 -4.140 -10.857 1.00 0.00 C ATOM 1231 CD LYS A 72 -5.375 -4.449 -11.643 1.00 0.00 C ATOM 1232 CE LYS A 72 -4.492 -3.202 -11.727 1.00 0.00 C ATOM 1233 NZ LYS A 72 -4.216 -2.828 -13.137 1.00 0.00 N ATOM 0 H LYS A 72 -9.520 -3.275 -10.044 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.443 -1.669 -11.111 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.617 -4.394 -11.716 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.448 -3.692 -12.818 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.439 -3.361 -10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.955 -5.026 -10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.828 -5.260 -11.161 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.633 -4.790 -12.646 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.982 -2.372 -11.218 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.552 -3.384 -11.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.615 -1.979 -13.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.727 -3.612 -13.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.113 -2.631 -13.626 1.00 0.00 H new ATOM 1247 N THR A 73 -10.115 -2.134 -13.007 1.00 0.00 N ATOM 1248 CA THR A 73 -10.940 -1.532 -14.056 1.00 0.00 C ATOM 1249 C THR A 73 -11.433 -0.140 -13.672 1.00 0.00 C ATOM 1250 O THR A 73 -11.870 0.601 -14.550 1.00 0.00 O ATOM 1251 CB THR A 73 -12.134 -2.433 -14.430 1.00 0.00 C ATOM 1252 OG1 THR A 73 -12.576 -2.028 -15.693 1.00 0.00 O ATOM 1253 CG2 THR A 73 -13.370 -2.399 -13.512 1.00 0.00 C ATOM 0 H THR A 73 -10.535 -2.962 -12.585 1.00 0.00 H new ATOM 0 HA THR A 73 -10.297 -1.432 -14.930 1.00 0.00 H new ATOM 0 HB THR A 73 -11.744 -3.448 -14.357 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.491 -1.055 -15.773 1.00 0.00 H new ATOM 0 HG21 THR A 73 -14.128 -3.081 -13.897 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.084 -2.705 -12.506 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.773 -1.387 -13.482 1.00 0.00 H new ATOM 1261 N GLU A 74 -11.375 0.205 -12.386 1.00 0.00 N ATOM 1262 CA GLU A 74 -11.802 1.481 -11.856 1.00 0.00 C ATOM 1263 C GLU A 74 -10.663 2.499 -11.911 1.00 0.00 C ATOM 1264 O GLU A 74 -9.474 2.171 -11.774 1.00 0.00 O ATOM 1265 CB GLU A 74 -12.364 1.376 -10.432 1.00 0.00 C ATOM 1266 CG GLU A 74 -13.902 1.211 -10.452 1.00 0.00 C ATOM 1267 CD GLU A 74 -14.578 1.675 -9.159 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -14.055 2.632 -8.561 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -15.622 1.069 -8.814 1.00 0.00 O ATOM 0 H GLU A 74 -11.016 -0.424 -11.668 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.618 1.826 -12.492 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.911 0.527 -9.920 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.098 2.269 -9.866 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.310 1.776 -11.290 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.146 0.163 -10.625 1.00 0.00 H new