USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 694 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 73 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 96 GLN : amide:sc= -0.483 K(o=-0.48,f=-1.3) USER MOD Single : A 11 MET CE :methyl 175:sc= -0.199 (180deg=-0.242) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 0.752 (180deg=0.611) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0474 USER MOD Single : A 19 ASN : amide:sc= -0.611 X(o=-0.61,f=-0.71) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 38 MET CE :methyl -151:sc= -1.18 (180deg=-3.36) USER MOD Single : A 40 SER OG : rot 100:sc= 0.199 USER MOD Single : A 42 CYS SG : rot -55:sc= 0.196 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 130:sc= -0.764 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 170:sc= 1.38 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -55:sc= 1.22 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.776 K(o=0.78,f=0) USER MOD Single : A 90 THR OG1 : rot -22:sc= 0.251 USER MOD Single : A 91 TYR OH : rot 180:sc= 0.00404 USER MOD Single : A 98 MET CE :methyl -129:sc= 0 (180deg=-0.358) USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 7 -9.594 4.723 -0.067 1.00 0.00 N ATOM 74 CA PRO A 7 -8.197 4.354 -0.249 1.00 0.00 C ATOM 75 C PRO A 7 -8.003 2.971 0.390 1.00 0.00 C ATOM 76 O PRO A 7 -7.675 2.834 1.570 1.00 0.00 O ATOM 77 CB PRO A 7 -7.384 5.487 0.418 1.00 0.00 C ATOM 78 CG PRO A 7 -8.308 5.896 1.560 1.00 0.00 C ATOM 79 CD PRO A 7 -9.700 5.743 0.962 1.00 0.00 C ATOM 0 HA PRO A 7 -7.870 4.263 -1.285 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.416 5.139 0.779 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.191 6.312 -0.268 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.174 5.258 2.433 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.120 6.920 1.882 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.421 5.451 1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.047 6.686 0.540 1.00 0.00 H new ATOM 87 N VAL A 8 -8.283 1.913 -0.356 1.00 0.00 N ATOM 88 CA VAL A 8 -8.219 0.551 0.140 1.00 0.00 C ATOM 89 C VAL A 8 -7.861 -0.354 -1.025 1.00 0.00 C ATOM 90 O VAL A 8 -8.220 -0.084 -2.173 1.00 0.00 O ATOM 91 CB VAL A 8 -9.554 0.183 0.819 1.00 0.00 C ATOM 92 CG1 VAL A 8 -10.675 -0.080 -0.189 1.00 0.00 C ATOM 93 CG2 VAL A 8 -9.407 -1.011 1.773 1.00 0.00 C ATOM 0 H VAL A 8 -8.564 1.979 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.450 0.432 0.903 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.835 1.057 1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.591 -0.335 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.841 0.814 -0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.392 -0.907 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.372 -1.234 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.059 -1.881 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.686 -0.767 2.553 1.00 0.00 H new ATOM 103 N VAL A 9 -7.128 -1.424 -0.741 1.00 0.00 N ATOM 104 CA VAL A 9 -6.855 -2.446 -1.729 1.00 0.00 C ATOM 105 C VAL A 9 -8.125 -3.284 -1.784 1.00 0.00 C ATOM 106 O VAL A 9 -8.392 -4.053 -0.860 1.00 0.00 O ATOM 107 CB VAL A 9 -5.571 -3.221 -1.378 1.00 0.00 C ATOM 108 CG1 VAL A 9 -5.146 -4.068 -2.588 1.00 0.00 C ATOM 109 CG2 VAL A 9 -4.397 -2.297 -1.027 1.00 0.00 C ATOM 0 H VAL A 9 -6.712 -1.602 0.173 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.640 -2.051 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.801 -3.835 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.237 -4.619 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.941 -4.771 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.958 -3.416 -3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.520 -2.898 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.175 -1.652 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.662 -1.684 -0.166 1.00 0.00 H new ATOM 119 N GLY A 10 -8.938 -3.052 -2.816 1.00 0.00 N ATOM 120 CA GLY A 10 -10.181 -3.761 -3.057 1.00 0.00 C ATOM 121 C GLY A 10 -10.061 -4.528 -4.365 1.00 0.00 C ATOM 122 O GLY A 10 -9.862 -5.744 -4.338 1.00 0.00 O ATOM 0 H GLY A 10 -8.738 -2.344 -3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.390 -4.446 -2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.013 -3.059 -3.106 1.00 0.00 H new ATOM 126 N MET A 11 -10.147 -3.808 -5.488 1.00 0.00 N ATOM 127 CA MET A 11 -10.082 -4.322 -6.854 1.00 0.00 C ATOM 128 C MET A 11 -9.192 -3.445 -7.738 1.00 0.00 C ATOM 129 O MET A 11 -8.321 -3.973 -8.433 1.00 0.00 O ATOM 130 CB MET A 11 -11.504 -4.395 -7.450 1.00 0.00 C ATOM 131 CG MET A 11 -12.067 -5.817 -7.409 1.00 0.00 C ATOM 132 SD MET A 11 -11.870 -6.857 -8.895 1.00 0.00 S ATOM 133 CE MET A 11 -10.228 -6.389 -9.498 1.00 0.00 C ATOM 0 H MET A 11 -10.271 -2.796 -5.464 1.00 0.00 H new ATOM 0 HA MET A 11 -9.645 -5.320 -6.821 1.00 0.00 H new ATOM 0 HB2 MET A 11 -12.164 -3.727 -6.897 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.484 -4.042 -8.481 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.600 -6.337 -6.573 1.00 0.00 H new ATOM 0 HG3 MET A 11 -13.132 -5.749 -7.188 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.959 -7.018 -10.347 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.239 -5.345 -9.810 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.496 -6.522 -8.701 1.00 0.00 H new ATOM 143 N ASP A 12 -9.436 -2.131 -7.752 1.00 0.00 N ATOM 144 CA ASP A 12 -8.578 -1.186 -8.472 1.00 0.00 C ATOM 145 C ASP A 12 -7.445 -0.769 -7.531 1.00 0.00 C ATOM 146 O ASP A 12 -7.459 -1.096 -6.339 1.00 0.00 O ATOM 147 CB ASP A 12 -9.382 0.032 -8.967 1.00 0.00 C ATOM 148 CG ASP A 12 -8.816 0.661 -10.254 1.00 0.00 C ATOM 149 OD1 ASP A 12 -7.586 0.885 -10.360 1.00 0.00 O ATOM 150 OD2 ASP A 12 -9.612 0.916 -11.181 1.00 0.00 O ATOM 0 H ASP A 12 -10.224 -1.697 -7.271 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.162 -1.660 -9.361 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.414 -0.272 -9.144 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.402 0.787 -8.181 1.00 0.00 H new ATOM 155 N LYS A 13 -6.468 -0.031 -8.047 1.00 0.00 N ATOM 156 CA LYS A 13 -5.298 0.418 -7.311 1.00 0.00 C ATOM 157 C LYS A 13 -5.069 1.914 -7.374 1.00 0.00 C ATOM 158 O LYS A 13 -4.108 2.389 -6.778 1.00 0.00 O ATOM 159 CB LYS A 13 -4.082 -0.436 -7.696 1.00 0.00 C ATOM 160 CG LYS A 13 -4.181 -1.817 -7.021 1.00 0.00 C ATOM 161 CD LYS A 13 -2.799 -2.411 -6.815 1.00 0.00 C ATOM 162 CE LYS A 13 -2.992 -3.668 -5.971 1.00 0.00 C ATOM 163 NZ LYS A 13 -1.722 -4.100 -5.384 1.00 0.00 N ATOM 0 H LYS A 13 -6.471 0.279 -9.019 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.482 0.255 -6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.036 -0.553 -8.779 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.163 0.064 -7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.689 -1.723 -6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.782 -2.486 -7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.334 -2.652 -7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.143 -1.702 -6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.716 -3.473 -5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.403 -4.467 -6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.900 -4.848 -4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.101 -4.467 -6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.262 -3.292 -4.918 1.00 0.00 H new ATOM 177 N SER A 14 -5.955 2.681 -7.996 1.00 0.00 N ATOM 178 CA SER A 14 -5.727 4.103 -8.166 1.00 0.00 C ATOM 179 C SER A 14 -6.113 4.972 -6.972 1.00 0.00 C ATOM 180 O SER A 14 -5.531 6.040 -6.783 1.00 0.00 O ATOM 181 CB SER A 14 -6.494 4.538 -9.413 1.00 0.00 C ATOM 182 OG SER A 14 -7.788 3.968 -9.430 1.00 0.00 O ATOM 0 H SER A 14 -6.833 2.341 -8.388 1.00 0.00 H new ATOM 0 HA SER A 14 -4.652 4.252 -8.264 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.570 5.625 -9.438 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.947 4.236 -10.306 1.00 0.00 H new ATOM 0 HG SER A 14 -8.264 4.260 -10.236 1.00 0.00 H new ATOM 188 N LEU A 15 -7.098 4.538 -6.183 1.00 0.00 N ATOM 189 CA LEU A 15 -7.905 5.389 -5.305 1.00 0.00 C ATOM 190 C LEU A 15 -7.210 5.747 -3.980 1.00 0.00 C ATOM 191 O LEU A 15 -7.891 5.987 -2.987 1.00 0.00 O ATOM 192 CB LEU A 15 -9.279 4.723 -5.036 1.00 0.00 C ATOM 193 CG LEU A 15 -10.181 4.375 -6.236 1.00 0.00 C ATOM 194 CD1 LEU A 15 -10.216 5.480 -7.297 1.00 0.00 C ATOM 195 CD2 LEU A 15 -9.857 3.018 -6.863 1.00 0.00 C ATOM 0 H LEU A 15 -7.365 3.555 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.046 6.332 -5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.097 3.802 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.844 5.384 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.184 4.298 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.867 5.177 -8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.596 6.400 -6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.209 5.651 -7.678 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.529 2.835 -7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.826 3.017 -7.217 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.985 2.233 -6.118 1.00 0.00 H new ATOM 207 N PHE A 16 -5.880 5.712 -3.910 1.00 0.00 N ATOM 208 CA PHE A 16 -5.128 5.859 -2.663 1.00 0.00 C ATOM 209 C PHE A 16 -4.639 7.284 -2.501 1.00 0.00 C ATOM 210 O PHE A 16 -4.792 7.866 -1.423 1.00 0.00 O ATOM 211 CB PHE A 16 -3.950 4.885 -2.624 1.00 0.00 C ATOM 212 CG PHE A 16 -4.388 3.445 -2.578 1.00 0.00 C ATOM 213 CD1 PHE A 16 -4.931 2.841 -3.722 1.00 0.00 C ATOM 214 CD2 PHE A 16 -4.316 2.733 -1.373 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.411 1.532 -3.656 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.729 1.392 -1.322 1.00 0.00 C ATOM 217 CZ PHE A 16 -5.263 0.802 -2.477 1.00 0.00 C ATOM 0 H PHE A 16 -5.286 5.579 -4.728 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.796 5.625 -1.834 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.325 5.042 -3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.334 5.101 -1.751 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.978 3.388 -4.652 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.942 3.216 -0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.894 1.087 -4.513 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.637 0.824 -0.408 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.565 -0.235 -2.453 1.00 0.00 H new ATOM 227 N ALA A 17 -4.053 7.825 -3.572 1.00 0.00 N ATOM 228 CA ALA A 17 -3.649 9.211 -3.695 1.00 0.00 C ATOM 229 C ALA A 17 -4.902 10.082 -3.582 1.00 0.00 C ATOM 230 O ALA A 17 -5.573 10.352 -4.578 1.00 0.00 O ATOM 231 CB ALA A 17 -2.931 9.399 -5.040 1.00 0.00 C ATOM 0 H ALA A 17 -3.842 7.279 -4.407 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.955 9.503 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.622 10.439 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.053 8.754 -5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.608 9.138 -5.853 1.00 0.00 H new ATOM 237 N GLY A 18 -5.293 10.449 -2.367 1.00 0.00 N ATOM 238 CA GLY A 18 -6.420 11.330 -2.139 1.00 0.00 C ATOM 239 C GLY A 18 -6.830 11.438 -0.677 1.00 0.00 C ATOM 240 O GLY A 18 -7.436 12.454 -0.335 1.00 0.00 O ATOM 0 H GLY A 18 -4.831 10.139 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.173 12.324 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.271 10.974 -2.720 1.00 0.00 H new ATOM 244 N ASN A 19 -6.528 10.463 0.194 1.00 0.00 N ATOM 245 CA ASN A 19 -6.773 10.638 1.625 1.00 0.00 C ATOM 246 C ASN A 19 -5.471 10.804 2.400 1.00 0.00 C ATOM 247 O ASN A 19 -4.761 9.835 2.678 1.00 0.00 O ATOM 248 CB ASN A 19 -7.604 9.490 2.183 1.00 0.00 C ATOM 249 CG ASN A 19 -8.334 9.898 3.454 1.00 0.00 C ATOM 250 OD1 ASN A 19 -8.934 10.975 3.540 1.00 0.00 O ATOM 251 ND2 ASN A 19 -8.322 9.052 4.464 1.00 0.00 N ATOM 0 H ASN A 19 -6.122 9.564 -0.065 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.345 11.557 1.750 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.327 9.165 1.435 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.957 8.638 2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.811 9.283 5.329 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.823 8.166 4.381 1.00 0.00 H new ATOM 258 N THR A 20 -5.187 12.031 2.816 1.00 0.00 N ATOM 259 CA THR A 20 -4.028 12.471 3.592 1.00 0.00 C ATOM 260 C THR A 20 -4.037 11.943 5.048 1.00 0.00 C ATOM 261 O THR A 20 -3.548 12.608 5.965 1.00 0.00 O ATOM 262 CB THR A 20 -4.000 14.017 3.496 1.00 0.00 C ATOM 263 OG1 THR A 20 -5.298 14.569 3.684 1.00 0.00 O ATOM 264 CG2 THR A 20 -3.527 14.480 2.114 1.00 0.00 C ATOM 0 H THR A 20 -5.810 12.810 2.604 1.00 0.00 H new ATOM 0 HA THR A 20 -3.109 12.051 3.183 1.00 0.00 H new ATOM 0 HB THR A 20 -3.316 14.356 4.275 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.250 15.546 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.518 15.569 2.079 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.521 14.103 1.928 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.204 14.098 1.351 1.00 0.00 H new ATOM 272 N VAL A 21 -4.654 10.781 5.300 1.00 0.00 N ATOM 273 CA VAL A 21 -5.048 10.315 6.627 1.00 0.00 C ATOM 274 C VAL A 21 -4.885 8.790 6.762 1.00 0.00 C ATOM 275 O VAL A 21 -4.996 8.256 7.869 1.00 0.00 O ATOM 276 CB VAL A 21 -6.507 10.757 6.918 1.00 0.00 C ATOM 277 CG1 VAL A 21 -6.807 10.772 8.415 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.894 12.147 6.381 1.00 0.00 C ATOM 0 H VAL A 21 -4.898 10.123 4.560 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.388 10.767 7.367 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.095 10.007 6.388 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.838 11.087 8.576 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.665 9.772 8.825 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.133 11.468 8.914 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.932 12.360 6.637 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.248 12.903 6.828 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.777 12.164 5.297 1.00 0.00 H new ATOM 288 N ILE A 22 -4.610 8.063 5.673 1.00 0.00 N ATOM 289 CA ILE A 22 -4.473 6.622 5.723 1.00 0.00 C ATOM 290 C ILE A 22 -3.108 6.279 6.301 1.00 0.00 C ATOM 291 O ILE A 22 -2.097 6.301 5.605 1.00 0.00 O ATOM 292 CB ILE A 22 -4.787 5.985 4.362 1.00 0.00 C ATOM 293 CG1 ILE A 22 -4.748 4.459 4.541 1.00 0.00 C ATOM 294 CG2 ILE A 22 -3.933 6.455 3.166 1.00 0.00 C ATOM 295 CD1 ILE A 22 -5.615 3.782 3.492 1.00 0.00 C ATOM 0 H ILE A 22 -4.479 8.463 4.744 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.213 6.183 6.393 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.779 6.331 4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.721 4.103 4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.099 4.194 5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.251 5.932 2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.061 7.529 3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.883 6.236 3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.578 2.702 3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.644 4.126 3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.246 4.033 2.498 1.00 0.00 H new ATOM 307 N ARG A 23 -3.077 6.007 7.602 1.00 0.00 N ATOM 308 CA ARG A 23 -1.843 5.704 8.312 1.00 0.00 C ATOM 309 C ARG A 23 -1.335 4.296 8.010 1.00 0.00 C ATOM 310 O ARG A 23 -0.165 4.013 8.258 1.00 0.00 O ATOM 311 CB ARG A 23 -2.058 5.985 9.814 1.00 0.00 C ATOM 312 CG ARG A 23 -2.014 7.510 10.035 1.00 0.00 C ATOM 313 CD ARG A 23 -2.502 8.018 11.398 1.00 0.00 C ATOM 314 NE ARG A 23 -2.081 9.419 11.590 1.00 0.00 N ATOM 315 CZ ARG A 23 -2.539 10.506 10.947 1.00 0.00 C ATOM 316 NH1 ARG A 23 -3.710 10.502 10.311 1.00 0.00 N ATOM 317 NH2 ARG A 23 -1.784 11.597 10.909 1.00 0.00 N ATOM 0 H ARG A 23 -3.909 5.991 8.193 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.042 6.355 7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.016 5.582 10.142 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.286 5.494 10.406 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.987 7.846 9.893 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.614 7.985 9.259 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.588 7.944 11.456 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.097 7.395 12.195 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.359 9.581 12.292 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.284 9.659 10.304 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.033 11.342 9.831 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.871 11.601 11.364 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.117 12.431 10.425 1.00 0.00 H new ATOM 331 N GLU A 24 -2.177 3.421 7.449 1.00 0.00 N ATOM 332 CA GLU A 24 -1.895 1.991 7.326 1.00 0.00 C ATOM 333 C GLU A 24 -2.573 1.444 6.077 1.00 0.00 C ATOM 334 O GLU A 24 -3.764 1.691 5.890 1.00 0.00 O ATOM 335 CB GLU A 24 -2.504 1.230 8.518 1.00 0.00 C ATOM 336 CG GLU A 24 -1.796 1.402 9.863 1.00 0.00 C ATOM 337 CD GLU A 24 -2.713 0.920 10.985 1.00 0.00 C ATOM 338 OE1 GLU A 24 -2.985 -0.296 11.079 1.00 0.00 O ATOM 339 OE2 GLU A 24 -3.188 1.769 11.774 1.00 0.00 O ATOM 0 H GLU A 24 -3.082 3.691 7.064 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.814 1.861 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.540 1.547 8.633 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.521 0.168 8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.865 0.836 9.871 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.534 2.449 10.017 1.00 0.00 H new ATOM 346 N ILE A 25 -1.872 0.635 5.277 1.00 0.00 N ATOM 347 CA ILE A 25 -2.457 -0.037 4.119 1.00 0.00 C ATOM 348 C ILE A 25 -2.047 -1.507 4.158 1.00 0.00 C ATOM 349 O ILE A 25 -0.876 -1.842 3.990 1.00 0.00 O ATOM 350 CB ILE A 25 -2.043 0.654 2.801 1.00 0.00 C ATOM 351 CG1 ILE A 25 -2.419 2.147 2.806 1.00 0.00 C ATOM 352 CG2 ILE A 25 -2.716 -0.050 1.605 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.876 2.928 1.615 1.00 0.00 C ATOM 0 H ILE A 25 -0.883 0.429 5.416 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.544 0.028 4.160 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.960 0.579 2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.505 2.237 2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.048 2.601 3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.420 0.443 0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.406 -1.094 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.799 0.004 1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.184 3.971 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.788 2.871 1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.267 2.502 0.691 1.00 0.00 H new ATOM 365 N THR A 26 -3.008 -2.403 4.344 1.00 0.00 N ATOM 366 CA THR A 26 -2.785 -3.829 4.159 1.00 0.00 C ATOM 367 C THR A 26 -3.094 -4.173 2.690 1.00 0.00 C ATOM 368 O THR A 26 -4.095 -3.690 2.147 1.00 0.00 O ATOM 369 CB THR A 26 -3.670 -4.576 5.166 1.00 0.00 C ATOM 370 OG1 THR A 26 -3.442 -4.075 6.477 1.00 0.00 O ATOM 371 CG2 THR A 26 -3.357 -6.070 5.159 1.00 0.00 C ATOM 0 H THR A 26 -3.958 -2.162 4.626 1.00 0.00 H new ATOM 0 HA THR A 26 -1.754 -4.128 4.348 1.00 0.00 H new ATOM 0 HB THR A 26 -4.710 -4.422 4.878 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.011 -4.555 7.114 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.996 -6.579 5.880 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.539 -6.475 4.164 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.312 -6.224 5.428 1.00 0.00 H new ATOM 379 N VAL A 27 -2.277 -5.004 2.037 1.00 0.00 N ATOM 380 CA VAL A 27 -2.348 -5.336 0.612 1.00 0.00 C ATOM 381 C VAL A 27 -2.293 -6.858 0.471 1.00 0.00 C ATOM 382 O VAL A 27 -1.312 -7.473 0.904 1.00 0.00 O ATOM 383 CB VAL A 27 -1.155 -4.706 -0.150 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.345 -4.737 -1.673 1.00 0.00 C ATOM 385 CG2 VAL A 27 -0.825 -3.264 0.262 1.00 0.00 C ATOM 0 H VAL A 27 -1.512 -5.486 2.510 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.274 -4.944 0.191 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.316 -5.339 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.480 -4.283 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.447 -5.770 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.243 -4.180 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.022 -2.904 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.690 -2.626 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.573 -3.237 1.322 1.00 0.00 H new ATOM 395 N GLN A 28 -3.306 -7.475 -0.134 1.00 0.00 N ATOM 396 CA GLN A 28 -3.252 -8.894 -0.471 1.00 0.00 C ATOM 397 C GLN A 28 -2.385 -9.126 -1.719 1.00 0.00 C ATOM 398 O GLN A 28 -2.085 -8.176 -2.446 1.00 0.00 O ATOM 399 CB GLN A 28 -4.694 -9.430 -0.592 1.00 0.00 C ATOM 400 CG GLN A 28 -5.334 -9.554 0.805 1.00 0.00 C ATOM 401 CD GLN A 28 -6.823 -9.227 0.858 1.00 0.00 C ATOM 402 OE1 GLN A 28 -7.673 -9.942 0.341 1.00 0.00 O ATOM 403 NE2 GLN A 28 -7.206 -8.175 1.565 1.00 0.00 N ATOM 0 H GLN A 28 -4.175 -7.013 -0.401 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.763 -9.463 0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.288 -8.760 -1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.688 -10.402 -1.085 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.187 -10.571 1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.806 -8.891 1.491 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.508 -7.572 2.001 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.199 -7.968 1.674 1.00 0.00 H new ATOM 412 N PRO A 29 -1.901 -10.354 -1.956 1.00 0.00 N ATOM 413 CA PRO A 29 -1.116 -10.677 -3.143 1.00 0.00 C ATOM 414 C PRO A 29 -2.014 -10.785 -4.376 1.00 0.00 C ATOM 415 O PRO A 29 -3.204 -11.084 -4.277 1.00 0.00 O ATOM 416 CB PRO A 29 -0.453 -12.021 -2.832 1.00 0.00 C ATOM 417 CG PRO A 29 -1.377 -12.666 -1.803 1.00 0.00 C ATOM 418 CD PRO A 29 -1.993 -11.493 -1.057 1.00 0.00 C ATOM 0 HA PRO A 29 -0.381 -9.904 -3.366 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.362 -12.637 -3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.553 -11.886 -2.435 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.142 -13.277 -2.283 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.825 -13.320 -1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.030 -11.699 -0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.460 -11.299 -0.126 1.00 0.00 H new ATOM 426 N ASN A 30 -1.405 -10.661 -5.558 1.00 0.00 N ATOM 427 CA ASN A 30 -1.993 -10.968 -6.862 1.00 0.00 C ATOM 428 C ASN A 30 -3.314 -10.221 -7.117 1.00 0.00 C ATOM 429 O ASN A 30 -4.228 -10.761 -7.745 1.00 0.00 O ATOM 430 CB ASN A 30 -2.080 -12.494 -7.057 1.00 0.00 C ATOM 431 CG ASN A 30 -0.725 -13.169 -7.184 1.00 0.00 C ATOM 432 OD1 ASN A 30 0.076 -12.771 -8.023 1.00 0.00 O ATOM 433 ND2 ASN A 30 -0.454 -14.223 -6.431 1.00 0.00 N ATOM 0 H ASN A 30 -0.444 -10.328 -5.634 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.329 -10.586 -7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.616 -12.930 -6.214 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.667 -12.705 -7.951 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.431 -14.717 -6.544 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.131 -14.542 -5.737 1.00 0.00 H new ATOM 440 N ILE A 31 -3.424 -8.965 -6.666 1.00 0.00 N ATOM 441 CA ILE A 31 -4.649 -8.155 -6.737 1.00 0.00 C ATOM 442 C ILE A 31 -4.375 -6.725 -7.261 1.00 0.00 C ATOM 443 O ILE A 31 -5.120 -5.792 -6.980 1.00 0.00 O ATOM 444 CB ILE A 31 -5.451 -8.317 -5.424 1.00 0.00 C ATOM 445 CG1 ILE A 31 -6.891 -7.776 -5.497 1.00 0.00 C ATOM 446 CG2 ILE A 31 -4.696 -7.750 -4.223 1.00 0.00 C ATOM 447 CD1 ILE A 31 -7.846 -8.649 -4.680 1.00 0.00 C ATOM 0 H ILE A 31 -2.645 -8.471 -6.231 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.327 -8.525 -7.506 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.552 -9.393 -5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.918 -6.752 -5.123 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.220 -7.745 -6.536 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.294 -7.884 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.747 -8.273 -4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.508 -6.688 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.856 -8.245 -4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.834 -9.666 -5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.529 -8.658 -3.637 1.00 0.00 H new ATOM 459 N GLY A 32 -3.306 -6.554 -8.049 1.00 0.00 N ATOM 460 CA GLY A 32 -3.044 -5.434 -8.948 1.00 0.00 C ATOM 461 C GLY A 32 -1.585 -4.981 -8.870 1.00 0.00 C ATOM 462 O GLY A 32 -0.904 -5.217 -7.862 1.00 0.00 O ATOM 0 H GLY A 32 -2.554 -7.243 -8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.282 -5.724 -9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.699 -4.601 -8.693 1.00 0.00 H new ATOM 466 N LEU A 33 -1.107 -4.284 -9.901 1.00 0.00 N ATOM 467 CA LEU A 33 0.232 -3.706 -9.953 1.00 0.00 C ATOM 468 C LEU A 33 0.323 -2.509 -9.009 1.00 0.00 C ATOM 469 O LEU A 33 -0.490 -1.591 -9.087 1.00 0.00 O ATOM 470 CB LEU A 33 0.530 -3.292 -11.401 1.00 0.00 C ATOM 471 CG LEU A 33 1.797 -2.451 -11.625 1.00 0.00 C ATOM 472 CD1 LEU A 33 3.079 -3.119 -11.118 1.00 0.00 C ATOM 473 CD2 LEU A 33 1.926 -2.179 -13.129 1.00 0.00 C ATOM 0 H LEU A 33 -1.655 -4.102 -10.742 1.00 0.00 H new ATOM 0 HA LEU A 33 0.972 -4.439 -9.630 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.609 -4.196 -12.005 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.324 -2.730 -11.778 1.00 0.00 H new ATOM 0 HG LEU A 33 1.687 -1.532 -11.050 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.930 -2.466 -11.311 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.996 -3.300 -10.046 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.224 -4.067 -11.636 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.819 -1.583 -13.316 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.003 -3.125 -13.665 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.048 -1.636 -13.477 1.00 0.00 H new ATOM 485 N LEU A 34 1.305 -2.514 -8.106 1.00 0.00 N ATOM 486 CA LEU A 34 1.652 -1.368 -7.274 1.00 0.00 C ATOM 487 C LEU A 34 2.527 -0.422 -8.111 1.00 0.00 C ATOM 488 O LEU A 34 3.756 -0.461 -8.011 1.00 0.00 O ATOM 489 CB LEU A 34 2.385 -1.845 -6.007 1.00 0.00 C ATOM 490 CG LEU A 34 1.526 -2.679 -5.045 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.271 -3.877 -4.444 1.00 0.00 C ATOM 492 CD2 LEU A 34 1.003 -1.806 -3.903 1.00 0.00 C ATOM 0 H LEU A 34 1.890 -3.331 -7.932 1.00 0.00 H new ATOM 0 HA LEU A 34 0.757 -0.836 -6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.251 -2.436 -6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.763 -0.974 -5.473 1.00 0.00 H new ATOM 0 HG LEU A 34 0.703 -3.068 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.605 -4.421 -3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.601 -4.539 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.137 -3.524 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.396 -2.412 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.844 -1.385 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.395 -0.998 -4.311 1.00 0.00 H new ATOM 504 N TYR A 35 1.923 0.365 -8.999 1.00 0.00 N ATOM 505 CA TYR A 35 2.662 1.220 -9.925 1.00 0.00 C ATOM 506 C TYR A 35 3.366 2.370 -9.191 1.00 0.00 C ATOM 507 O TYR A 35 3.216 2.565 -7.982 1.00 0.00 O ATOM 508 CB TYR A 35 1.752 1.679 -11.070 1.00 0.00 C ATOM 509 CG TYR A 35 0.445 2.348 -10.690 1.00 0.00 C ATOM 510 CD1 TYR A 35 -0.701 1.572 -10.425 1.00 0.00 C ATOM 511 CD2 TYR A 35 0.343 3.752 -10.714 1.00 0.00 C ATOM 512 CE1 TYR A 35 -1.945 2.189 -10.219 1.00 0.00 C ATOM 513 CE2 TYR A 35 -0.899 4.377 -10.538 1.00 0.00 C ATOM 514 CZ TYR A 35 -2.052 3.595 -10.312 1.00 0.00 C ATOM 515 OH TYR A 35 -3.277 4.169 -10.243 1.00 0.00 O ATOM 0 H TYR A 35 0.910 0.428 -9.097 1.00 0.00 H new ATOM 0 HA TYR A 35 3.464 0.640 -10.382 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.317 2.371 -11.694 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.520 0.810 -11.687 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.622 0.496 -10.380 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.228 4.351 -10.869 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.816 1.592 -9.991 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.974 5.454 -10.575 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.187 5.142 -10.321 1.00 0.00 H new ATOM 525 N ASP A 36 4.262 3.081 -9.863 1.00 0.00 N ATOM 526 CA ASP A 36 4.978 4.215 -9.286 1.00 0.00 C ATOM 527 C ASP A 36 4.030 5.408 -9.219 1.00 0.00 C ATOM 528 O ASP A 36 3.229 5.617 -10.130 1.00 0.00 O ATOM 529 CB ASP A 36 6.265 4.515 -10.067 1.00 0.00 C ATOM 530 CG ASP A 36 6.018 4.848 -11.533 1.00 0.00 C ATOM 531 OD1 ASP A 36 5.493 3.972 -12.258 1.00 0.00 O ATOM 532 OD2 ASP A 36 6.387 5.950 -11.984 1.00 0.00 O ATOM 0 H ASP A 36 4.515 2.887 -10.832 1.00 0.00 H new ATOM 0 HA ASP A 36 5.300 3.978 -8.272 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.782 5.350 -9.594 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.929 3.653 -10.005 1.00 0.00 H new ATOM 537 N GLY A 37 4.070 6.130 -8.098 1.00 0.00 N ATOM 538 CA GLY A 37 3.162 7.235 -7.803 1.00 0.00 C ATOM 539 C GLY A 37 1.796 6.791 -7.261 1.00 0.00 C ATOM 540 O GLY A 37 0.927 7.629 -7.026 1.00 0.00 O ATOM 0 H GLY A 37 4.749 5.958 -7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.633 7.895 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.009 7.819 -8.711 1.00 0.00 H new ATOM 544 N MET A 38 1.552 5.496 -7.034 1.00 0.00 N ATOM 545 CA MET A 38 0.267 5.002 -6.544 1.00 0.00 C ATOM 546 C MET A 38 -0.132 5.589 -5.179 1.00 0.00 C ATOM 547 O MET A 38 -1.317 5.634 -4.857 1.00 0.00 O ATOM 548 CB MET A 38 0.366 3.481 -6.431 1.00 0.00 C ATOM 549 CG MET A 38 -0.953 2.785 -6.695 1.00 0.00 C ATOM 550 SD MET A 38 -0.972 1.086 -6.059 1.00 0.00 S ATOM 551 CE MET A 38 -1.826 1.402 -4.503 1.00 0.00 C ATOM 0 H MET A 38 2.243 4.762 -7.186 1.00 0.00 H new ATOM 0 HA MET A 38 -0.504 5.312 -7.249 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.112 3.117 -7.138 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.717 3.218 -5.433 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.760 3.353 -6.233 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.146 2.772 -7.768 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.508 0.672 -3.759 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.585 2.406 -4.153 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.902 1.320 -4.655 1.00 0.00 H new ATOM 561 N PHE A 39 0.843 6.020 -4.370 1.00 0.00 N ATOM 562 CA PHE A 39 0.641 6.519 -3.009 1.00 0.00 C ATOM 563 C PHE A 39 0.995 8.007 -2.895 1.00 0.00 C ATOM 564 O PHE A 39 1.158 8.514 -1.783 1.00 0.00 O ATOM 565 CB PHE A 39 1.440 5.662 -2.012 1.00 0.00 C ATOM 566 CG PHE A 39 1.090 4.185 -2.019 1.00 0.00 C ATOM 567 CD1 PHE A 39 -0.147 3.741 -1.510 1.00 0.00 C ATOM 568 CD2 PHE A 39 1.999 3.246 -2.536 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.460 2.369 -1.511 1.00 0.00 C ATOM 570 CE2 PHE A 39 1.693 1.876 -2.518 1.00 0.00 C ATOM 571 CZ PHE A 39 0.470 1.432 -1.998 1.00 0.00 C ATOM 0 H PHE A 39 1.822 6.031 -4.655 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.417 6.433 -2.762 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.502 5.770 -2.231 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.280 6.054 -1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.856 4.455 -1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.939 3.580 -2.950 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.416 2.034 -1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.403 1.161 -2.907 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.242 0.377 -1.971 1.00 0.00 H new ATOM 581 N SER A 40 1.111 8.711 -4.024 1.00 0.00 N ATOM 582 CA SER A 40 1.353 10.141 -4.071 1.00 0.00 C ATOM 583 C SER A 40 0.408 10.895 -3.143 1.00 0.00 C ATOM 584 O SER A 40 -0.814 10.817 -3.278 1.00 0.00 O ATOM 585 CB SER A 40 1.253 10.608 -5.522 1.00 0.00 C ATOM 586 OG SER A 40 2.348 10.096 -6.251 1.00 0.00 O ATOM 0 H SER A 40 1.036 8.285 -4.948 1.00 0.00 H new ATOM 0 HA SER A 40 2.357 10.359 -3.707 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.316 10.267 -5.963 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.248 11.697 -5.567 1.00 0.00 H new ATOM 0 HG SER A 40 2.063 9.308 -6.760 1.00 0.00 H new ATOM 592 N GLY A 41 0.978 11.601 -2.167 1.00 0.00 N ATOM 593 CA GLY A 41 0.230 12.454 -1.264 1.00 0.00 C ATOM 594 C GLY A 41 -0.521 11.680 -0.187 1.00 0.00 C ATOM 595 O GLY A 41 -1.266 12.305 0.571 1.00 0.00 O ATOM 0 H GLY A 41 1.982 11.592 -1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.915 13.155 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.482 13.045 -1.840 1.00 0.00 H new ATOM 599 N CYS A 42 -0.346 10.360 -0.049 1.00 0.00 N ATOM 600 CA CYS A 42 -0.751 9.642 1.157 1.00 0.00 C ATOM 601 C CYS A 42 0.219 10.054 2.275 1.00 0.00 C ATOM 602 O CYS A 42 1.123 9.307 2.635 1.00 0.00 O ATOM 603 CB CYS A 42 -0.731 8.123 0.921 1.00 0.00 C ATOM 604 SG CYS A 42 -1.785 7.623 -0.471 1.00 0.00 S ATOM 0 H CYS A 42 0.076 9.768 -0.764 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.774 9.895 1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.293 7.801 0.731 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.063 7.613 1.826 1.00 0.00 H new ATOM 0 HG CYS A 42 -2.994 8.061 -0.279 1.00 0.00 H new ATOM 610 N THR A 43 0.088 11.267 2.795 1.00 0.00 N ATOM 611 CA THR A 43 1.075 11.905 3.658 1.00 0.00 C ATOM 612 C THR A 43 1.222 11.164 4.984 1.00 0.00 C ATOM 613 O THR A 43 2.325 10.763 5.348 1.00 0.00 O ATOM 614 CB THR A 43 0.668 13.372 3.847 1.00 0.00 C ATOM 615 OG1 THR A 43 -0.726 13.449 4.112 1.00 0.00 O ATOM 616 CG2 THR A 43 0.968 14.179 2.583 1.00 0.00 C ATOM 0 H THR A 43 -0.730 11.851 2.624 1.00 0.00 H new ATOM 0 HA THR A 43 2.060 11.866 3.192 1.00 0.00 H new ATOM 0 HB THR A 43 1.236 13.782 4.682 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.984 14.386 4.234 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.673 15.217 2.735 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.035 14.133 2.367 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.410 13.763 1.744 1.00 0.00 H new ATOM 624 N ALA A 44 0.100 10.921 5.668 1.00 0.00 N ATOM 625 CA ALA A 44 0.034 10.203 6.937 1.00 0.00 C ATOM 626 C ALA A 44 0.499 8.736 6.851 1.00 0.00 C ATOM 627 O ALA A 44 0.524 8.053 7.872 1.00 0.00 O ATOM 628 CB ALA A 44 -1.418 10.266 7.443 1.00 0.00 C ATOM 0 H ALA A 44 -0.815 11.230 5.340 1.00 0.00 H new ATOM 0 HA ALA A 44 0.724 10.688 7.627 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.496 9.736 8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.709 11.307 7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.079 9.800 6.712 1.00 0.00 H new ATOM 634 N LEU A 45 0.780 8.220 5.653 1.00 0.00 N ATOM 635 CA LEU A 45 1.082 6.819 5.416 1.00 0.00 C ATOM 636 C LEU A 45 2.505 6.509 5.854 1.00 0.00 C ATOM 637 O LEU A 45 3.462 6.885 5.173 1.00 0.00 O ATOM 638 CB LEU A 45 0.884 6.512 3.927 1.00 0.00 C ATOM 639 CG LEU A 45 1.079 5.045 3.530 1.00 0.00 C ATOM 640 CD1 LEU A 45 0.041 4.134 4.185 1.00 0.00 C ATOM 641 CD2 LEU A 45 0.957 4.956 2.001 1.00 0.00 C ATOM 0 H LEU A 45 0.803 8.784 4.804 1.00 0.00 H new ATOM 0 HA LEU A 45 0.410 6.190 6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.122 6.818 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.579 7.123 3.351 1.00 0.00 H new ATOM 0 HG LEU A 45 2.059 4.709 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.216 3.103 3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.125 4.208 5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.958 4.441 3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.091 3.922 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.029 5.304 1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.722 5.579 1.538 1.00 0.00 H new ATOM 653 N GLU A 46 2.649 5.777 6.955 1.00 0.00 N ATOM 654 CA GLU A 46 3.926 5.212 7.372 1.00 0.00 C ATOM 655 C GLU A 46 3.900 3.681 7.431 1.00 0.00 C ATOM 656 O GLU A 46 4.971 3.067 7.462 1.00 0.00 O ATOM 657 CB GLU A 46 4.407 5.845 8.678 1.00 0.00 C ATOM 658 CG GLU A 46 3.413 5.717 9.831 1.00 0.00 C ATOM 659 CD GLU A 46 4.141 5.881 11.159 1.00 0.00 C ATOM 660 OE1 GLU A 46 4.603 7.000 11.488 1.00 0.00 O ATOM 661 OE2 GLU A 46 4.290 4.869 11.886 1.00 0.00 O ATOM 0 H GLU A 46 1.878 5.559 7.586 1.00 0.00 H new ATOM 0 HA GLU A 46 4.658 5.462 6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.349 5.381 8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.613 6.901 8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.633 6.473 9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.921 4.745 9.793 1.00 0.00 H new ATOM 668 N LYS A 47 2.726 3.037 7.362 1.00 0.00 N ATOM 669 CA LYS A 47 2.640 1.582 7.425 1.00 0.00 C ATOM 670 C LYS A 47 2.035 0.966 6.184 1.00 0.00 C ATOM 671 O LYS A 47 1.056 1.463 5.627 1.00 0.00 O ATOM 672 CB LYS A 47 1.852 1.129 8.655 1.00 0.00 C ATOM 673 CG LYS A 47 2.640 1.304 9.957 1.00 0.00 C ATOM 674 CD LYS A 47 2.185 0.233 10.954 1.00 0.00 C ATOM 675 CE LYS A 47 3.105 0.227 12.170 1.00 0.00 C ATOM 676 NZ LYS A 47 2.699 -0.790 13.161 1.00 0.00 N ATOM 0 H LYS A 47 1.826 3.507 7.263 1.00 0.00 H new ATOM 0 HA LYS A 47 3.669 1.229 7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.924 1.698 8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.576 0.081 8.540 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.709 1.213 9.767 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.473 2.299 10.369 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.159 0.427 11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.193 -0.747 10.477 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.129 0.034 11.850 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.097 1.212 12.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.349 -0.763 13.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.731 -0.591 13.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.731 -1.733 12.724 1.00 0.00 H new ATOM 690 N LEU A 48 2.585 -0.183 5.814 1.00 0.00 N ATOM 691 CA LEU A 48 2.193 -1.001 4.689 1.00 0.00 C ATOM 692 C LEU A 48 2.437 -2.439 5.118 1.00 0.00 C ATOM 693 O LEU A 48 3.467 -2.748 5.719 1.00 0.00 O ATOM 694 CB LEU A 48 3.034 -0.617 3.476 1.00 0.00 C ATOM 695 CG LEU A 48 2.644 -1.219 2.120 1.00 0.00 C ATOM 696 CD1 LEU A 48 2.701 -2.736 1.983 1.00 0.00 C ATOM 697 CD2 LEU A 48 1.330 -0.673 1.558 1.00 0.00 C ATOM 0 H LEU A 48 3.366 -0.589 6.329 1.00 0.00 H new ATOM 0 HA LEU A 48 1.149 -0.865 4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.010 0.469 3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.067 -0.896 3.682 1.00 0.00 H new ATOM 0 HG LEU A 48 3.467 -0.862 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.400 -3.022 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.718 -3.080 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.025 -3.192 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.121 -1.145 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.519 -0.889 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.413 0.405 1.422 1.00 0.00 H new ATOM 709 N ILE A 49 1.492 -3.314 4.814 1.00 0.00 N ATOM 710 CA ILE A 49 1.488 -4.710 5.240 1.00 0.00 C ATOM 711 C ILE A 49 1.138 -5.552 4.019 1.00 0.00 C ATOM 712 O ILE A 49 0.248 -5.183 3.247 1.00 0.00 O ATOM 713 CB ILE A 49 0.517 -4.929 6.430 1.00 0.00 C ATOM 714 CG1 ILE A 49 0.870 -4.034 7.644 1.00 0.00 C ATOM 715 CG2 ILE A 49 0.563 -6.401 6.880 1.00 0.00 C ATOM 716 CD1 ILE A 49 0.049 -2.742 7.755 1.00 0.00 C ATOM 0 H ILE A 49 0.681 -3.068 4.247 1.00 0.00 H new ATOM 0 HA ILE A 49 2.466 -5.011 5.614 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.480 -4.662 6.081 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.733 -4.614 8.557 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.927 -3.772 7.589 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.121 -6.547 7.716 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.267 -7.044 6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.576 -6.655 7.192 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.368 -2.183 8.635 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.204 -2.135 6.863 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.009 -2.990 7.846 1.00 0.00 H new ATOM 728 N LEU A 50 1.840 -6.666 3.828 1.00 0.00 N ATOM 729 CA LEU A 50 1.692 -7.544 2.671 1.00 0.00 C ATOM 730 C LEU A 50 1.235 -8.914 3.172 1.00 0.00 C ATOM 731 O LEU A 50 1.989 -9.568 3.894 1.00 0.00 O ATOM 732 CB LEU A 50 3.031 -7.642 1.910 1.00 0.00 C ATOM 733 CG LEU A 50 3.563 -6.342 1.281 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.844 -6.616 0.489 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.554 -5.689 0.335 1.00 0.00 C ATOM 0 H LEU A 50 2.545 -6.991 4.490 1.00 0.00 H new ATOM 0 HA LEU A 50 0.951 -7.148 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.787 -8.022 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.919 -8.383 1.118 1.00 0.00 H new ATOM 0 HG LEU A 50 3.755 -5.661 2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.207 -5.686 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.604 -7.024 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.635 -7.334 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.982 -4.776 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.315 -6.378 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.644 -5.446 0.884 1.00 0.00 H new ATOM 747 N THR A 51 0.014 -9.342 2.836 1.00 0.00 N ATOM 748 CA THR A 51 -0.573 -10.573 3.372 1.00 0.00 C ATOM 749 C THR A 51 -0.158 -11.848 2.620 1.00 0.00 C ATOM 750 O THR A 51 -0.663 -12.921 2.955 1.00 0.00 O ATOM 751 CB THR A 51 -2.105 -10.457 3.513 1.00 0.00 C ATOM 752 OG1 THR A 51 -2.766 -10.606 2.283 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.559 -9.112 4.090 1.00 0.00 C ATOM 0 H THR A 51 -0.594 -8.845 2.185 1.00 0.00 H new ATOM 0 HA THR A 51 -0.151 -10.685 4.371 1.00 0.00 H new ATOM 0 HB THR A 51 -2.367 -11.264 4.197 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.484 -11.266 2.376 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.646 -9.096 4.163 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.127 -8.977 5.081 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.227 -8.305 3.437 1.00 0.00 H new ATOM 761 N GLY A 52 0.678 -11.742 1.583 1.00 0.00 N ATOM 762 CA GLY A 52 1.211 -12.876 0.842 1.00 0.00 C ATOM 763 C GLY A 52 2.535 -13.339 1.432 1.00 0.00 C ATOM 764 O GLY A 52 3.048 -12.748 2.381 1.00 0.00 O ATOM 0 H GLY A 52 1.007 -10.843 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.494 -13.697 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.351 -12.599 -0.203 1.00 0.00 H new ATOM 768 N GLU A 53 3.112 -14.385 0.850 1.00 0.00 N ATOM 769 CA GLU A 53 4.252 -15.103 1.408 1.00 0.00 C ATOM 770 C GLU A 53 5.384 -15.312 0.379 1.00 0.00 C ATOM 771 O GLU A 53 6.346 -16.035 0.634 1.00 0.00 O ATOM 772 CB GLU A 53 3.733 -16.370 2.096 1.00 0.00 C ATOM 773 CG GLU A 53 3.678 -17.561 1.149 1.00 0.00 C ATOM 774 CD GLU A 53 2.298 -18.197 0.979 1.00 0.00 C ATOM 775 OE1 GLU A 53 1.353 -17.475 0.571 1.00 0.00 O ATOM 776 OE2 GLU A 53 2.183 -19.435 1.113 1.00 0.00 O ATOM 0 H GLU A 53 2.793 -14.765 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 53 4.746 -14.504 2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.377 -16.611 2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.737 -16.181 2.497 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.036 -17.243 0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.369 -18.323 1.509 1.00 0.00 H new ATOM 783 N ASP A 54 5.256 -14.726 -0.807 1.00 0.00 N ATOM 784 CA ASP A 54 6.184 -14.859 -1.927 1.00 0.00 C ATOM 785 C ASP A 54 6.284 -13.489 -2.617 1.00 0.00 C ATOM 786 O ASP A 54 5.283 -12.763 -2.653 1.00 0.00 O ATOM 787 CB ASP A 54 5.612 -15.925 -2.871 1.00 0.00 C ATOM 788 CG ASP A 54 6.292 -15.941 -4.233 1.00 0.00 C ATOM 789 OD1 ASP A 54 5.858 -15.190 -5.126 1.00 0.00 O ATOM 790 OD2 ASP A 54 7.250 -16.720 -4.420 1.00 0.00 O ATOM 0 H ASP A 54 4.467 -14.117 -1.024 1.00 0.00 H new ATOM 0 HA ASP A 54 7.182 -15.163 -1.612 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.716 -16.906 -2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.545 -15.748 -3.006 1.00 0.00 H new ATOM 795 N PRO A 55 7.463 -13.084 -3.126 1.00 0.00 N ATOM 796 CA PRO A 55 7.644 -11.763 -3.720 1.00 0.00 C ATOM 797 C PRO A 55 7.048 -11.657 -5.121 1.00 0.00 C ATOM 798 O PRO A 55 6.617 -10.573 -5.524 1.00 0.00 O ATOM 799 CB PRO A 55 9.154 -11.503 -3.752 1.00 0.00 C ATOM 800 CG PRO A 55 9.802 -12.877 -3.583 1.00 0.00 C ATOM 801 CD PRO A 55 8.739 -13.758 -2.941 1.00 0.00 C ATOM 0 HA PRO A 55 7.117 -11.018 -3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.454 -11.039 -4.692 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.454 -10.825 -2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.118 -13.282 -4.545 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.691 -12.816 -2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.725 -14.745 -3.403 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.948 -13.905 -1.881 1.00 0.00 H new ATOM 809 N SER A 56 7.022 -12.749 -5.879 1.00 0.00 N ATOM 810 CA SER A 56 6.498 -12.805 -7.235 1.00 0.00 C ATOM 811 C SER A 56 4.966 -12.833 -7.253 1.00 0.00 C ATOM 812 O SER A 56 4.366 -12.470 -8.263 1.00 0.00 O ATOM 813 CB SER A 56 7.125 -14.009 -7.942 1.00 0.00 C ATOM 814 OG SER A 56 8.543 -13.929 -7.859 1.00 0.00 O ATOM 0 H SER A 56 7.377 -13.648 -5.553 1.00 0.00 H new ATOM 0 HA SER A 56 6.770 -11.899 -7.777 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.776 -14.934 -7.484 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.813 -14.033 -8.986 1.00 0.00 H new ATOM 0 HG SER A 56 8.941 -14.702 -8.311 1.00 0.00 H new ATOM 820 N ALA A 57 4.328 -13.127 -6.117 1.00 0.00 N ATOM 821 CA ALA A 57 2.914 -12.911 -5.865 1.00 0.00 C ATOM 822 C ALA A 57 2.534 -11.424 -5.843 1.00 0.00 C ATOM 823 O ALA A 57 1.345 -11.107 -5.772 1.00 0.00 O ATOM 824 CB ALA A 57 2.532 -13.584 -4.541 1.00 0.00 C ATOM 0 H ALA A 57 4.810 -13.539 -5.318 1.00 0.00 H new ATOM 0 HA ALA A 57 2.356 -13.357 -6.689 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.471 -13.426 -4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.734 -14.653 -4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.119 -13.152 -3.731 1.00 0.00 H new ATOM 830 N TYR A 58 3.497 -10.501 -5.912 1.00 0.00 N ATOM 831 CA TYR A 58 3.254 -9.068 -5.998 1.00 0.00 C ATOM 832 C TYR A 58 3.949 -8.492 -7.228 1.00 0.00 C ATOM 833 O TYR A 58 4.802 -9.132 -7.850 1.00 0.00 O ATOM 834 CB TYR A 58 3.734 -8.380 -4.717 1.00 0.00 C ATOM 835 CG TYR A 58 2.843 -8.616 -3.518 1.00 0.00 C ATOM 836 CD1 TYR A 58 3.092 -9.707 -2.671 1.00 0.00 C ATOM 837 CD2 TYR A 58 1.786 -7.730 -3.235 1.00 0.00 C ATOM 838 CE1 TYR A 58 2.314 -9.897 -1.518 1.00 0.00 C ATOM 839 CE2 TYR A 58 0.998 -7.919 -2.087 1.00 0.00 C ATOM 840 CZ TYR A 58 1.265 -9.003 -1.219 1.00 0.00 C ATOM 841 OH TYR A 58 0.526 -9.199 -0.096 1.00 0.00 O ATOM 0 H TYR A 58 4.489 -10.740 -5.909 1.00 0.00 H new ATOM 0 HA TYR A 58 2.184 -8.888 -6.100 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.739 -8.731 -4.484 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.805 -7.307 -4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.884 -10.402 -2.907 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.581 -6.905 -3.901 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.519 -10.728 -0.860 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.190 -7.237 -1.868 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.048 -8.420 0.058 1.00 0.00 H new ATOM 851 N SER A 59 3.613 -7.247 -7.551 1.00 0.00 N ATOM 852 CA SER A 59 4.250 -6.466 -8.595 1.00 0.00 C ATOM 853 C SER A 59 4.342 -5.037 -8.088 1.00 0.00 C ATOM 854 O SER A 59 3.343 -4.517 -7.589 1.00 0.00 O ATOM 855 CB SER A 59 3.397 -6.491 -9.859 1.00 0.00 C ATOM 856 OG SER A 59 3.015 -7.806 -10.218 1.00 0.00 O ATOM 0 H SER A 59 2.865 -6.742 -7.075 1.00 0.00 H new ATOM 0 HA SER A 59 5.234 -6.871 -8.831 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.505 -5.884 -9.706 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.953 -6.039 -10.680 1.00 0.00 H new ATOM 0 HG SER A 59 2.469 -7.778 -11.031 1.00 0.00 H new ATOM 862 N ALA A 60 5.502 -4.416 -8.244 1.00 0.00 N ATOM 863 CA ALA A 60 5.794 -3.013 -7.986 1.00 0.00 C ATOM 864 C ALA A 60 6.374 -2.445 -9.288 1.00 0.00 C ATOM 865 O ALA A 60 6.630 -3.208 -10.222 1.00 0.00 O ATOM 866 CB ALA A 60 6.774 -2.922 -6.819 1.00 0.00 C ATOM 0 H ALA A 60 6.325 -4.917 -8.579 1.00 0.00 H new ATOM 0 HA ALA A 60 4.912 -2.438 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.001 -1.876 -6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.329 -3.376 -5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.693 -3.450 -7.074 1.00 0.00 H new ATOM 872 N GLY A 61 6.587 -1.137 -9.360 1.00 0.00 N ATOM 873 CA GLY A 61 7.136 -0.413 -10.499 1.00 0.00 C ATOM 874 C GLY A 61 8.460 0.225 -10.101 1.00 0.00 C ATOM 875 O GLY A 61 9.226 -0.357 -9.327 1.00 0.00 O ATOM 0 H GLY A 61 6.368 -0.518 -8.580 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.285 -1.092 -11.339 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.435 0.353 -10.829 1.00 0.00 H new ATOM 879 N ASP A 62 8.764 1.409 -10.631 1.00 0.00 N ATOM 880 CA ASP A 62 10.009 2.122 -10.325 1.00 0.00 C ATOM 881 C ASP A 62 9.989 2.809 -8.955 1.00 0.00 C ATOM 882 O ASP A 62 11.032 3.277 -8.487 1.00 0.00 O ATOM 883 CB ASP A 62 10.333 3.131 -11.438 1.00 0.00 C ATOM 884 CG ASP A 62 11.236 2.495 -12.487 1.00 0.00 C ATOM 885 OD1 ASP A 62 12.483 2.553 -12.317 1.00 0.00 O ATOM 886 OD2 ASP A 62 10.698 1.938 -13.467 1.00 0.00 O ATOM 0 H ASP A 62 8.156 1.903 -11.285 1.00 0.00 H new ATOM 0 HA ASP A 62 10.798 1.372 -10.278 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.410 3.476 -11.905 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.821 4.007 -11.012 1.00 0.00 H new ATOM 891 N GLY A 63 8.840 2.856 -8.278 1.00 0.00 N ATOM 892 CA GLY A 63 8.658 3.647 -7.075 1.00 0.00 C ATOM 893 C GLY A 63 7.487 3.128 -6.262 1.00 0.00 C ATOM 894 O GLY A 63 6.473 3.819 -6.153 1.00 0.00 O ATOM 0 H GLY A 63 8.007 2.339 -8.558 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.566 3.617 -6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.487 4.690 -7.342 1.00 0.00 H new ATOM 898 N LEU A 64 7.624 1.925 -5.686 1.00 0.00 N ATOM 899 CA LEU A 64 6.592 1.241 -4.904 1.00 0.00 C ATOM 900 C LEU A 64 5.942 2.193 -3.904 1.00 0.00 C ATOM 901 O LEU A 64 4.727 2.180 -3.735 1.00 0.00 O ATOM 902 CB LEU A 64 7.193 0.045 -4.146 1.00 0.00 C ATOM 903 CG LEU A 64 6.171 -0.661 -3.230 1.00 0.00 C ATOM 904 CD1 LEU A 64 4.881 -1.043 -3.953 1.00 0.00 C ATOM 905 CD2 LEU A 64 6.769 -1.936 -2.650 1.00 0.00 C ATOM 0 H LEU A 64 8.487 1.386 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 64 5.833 0.886 -5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.586 -0.674 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.035 0.388 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 64 5.931 0.058 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.204 -1.535 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.405 -0.145 -4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.111 -1.722 -4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.036 -2.422 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.044 -2.611 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.656 -1.689 -2.067 1.00 0.00 H new ATOM 917 N ARG A 65 6.748 2.997 -3.214 1.00 0.00 N ATOM 918 CA ARG A 65 6.303 3.861 -2.128 1.00 0.00 C ATOM 919 C ARG A 65 6.444 5.341 -2.497 1.00 0.00 C ATOM 920 O ARG A 65 6.482 6.168 -1.593 1.00 0.00 O ATOM 921 CB ARG A 65 7.031 3.455 -0.824 1.00 0.00 C ATOM 922 CG ARG A 65 8.542 3.713 -0.832 1.00 0.00 C ATOM 923 CD ARG A 65 9.231 3.227 0.454 1.00 0.00 C ATOM 924 NE ARG A 65 10.251 4.166 0.951 1.00 0.00 N ATOM 925 CZ ARG A 65 11.525 4.324 0.577 1.00 0.00 C ATOM 926 NH1 ARG A 65 12.008 3.762 -0.527 1.00 0.00 N ATOM 927 NH2 ARG A 65 12.304 5.085 1.325 1.00 0.00 N ATOM 0 H ARG A 65 7.749 3.066 -3.400 1.00 0.00 H new ATOM 0 HA ARG A 65 5.236 3.725 -1.952 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.587 3.999 0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.857 2.395 -0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.988 3.211 -1.691 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.724 4.780 -0.956 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.478 3.074 1.227 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.696 2.259 0.267 1.00 0.00 H new ATOM 0 HE ARG A 65 9.938 4.791 1.694 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.402 3.191 -1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.985 3.902 -0.785 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.929 5.532 2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.281 5.225 1.066 1.00 0.00 H new ATOM 941 N ASP A 66 6.599 5.674 -3.784 1.00 0.00 N ATOM 942 CA ASP A 66 6.884 7.047 -4.203 1.00 0.00 C ATOM 943 C ASP A 66 5.736 7.980 -3.822 1.00 0.00 C ATOM 944 O ASP A 66 4.573 7.567 -3.825 1.00 0.00 O ATOM 945 CB ASP A 66 7.161 7.130 -5.710 1.00 0.00 C ATOM 946 CG ASP A 66 7.864 8.443 -6.060 1.00 0.00 C ATOM 947 OD1 ASP A 66 8.921 8.715 -5.444 1.00 0.00 O ATOM 948 OD2 ASP A 66 7.419 9.180 -6.965 1.00 0.00 O ATOM 0 H ASP A 66 6.531 5.008 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 66 7.784 7.368 -3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.780 6.287 -6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.224 7.055 -6.262 1.00 0.00 H new ATOM 953 N GLY A 67 6.067 9.226 -3.487 1.00 0.00 N ATOM 954 CA GLY A 67 5.124 10.248 -3.058 1.00 0.00 C ATOM 955 C GLY A 67 4.640 10.077 -1.612 1.00 0.00 C ATOM 956 O GLY A 67 3.880 10.916 -1.114 1.00 0.00 O ATOM 0 H GLY A 67 7.031 9.559 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.592 11.227 -3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.261 10.235 -3.724 1.00 0.00 H new ATOM 960 N ALA A 68 5.109 9.026 -0.935 1.00 0.00 N ATOM 961 CA ALA A 68 4.950 8.702 0.472 1.00 0.00 C ATOM 962 C ALA A 68 6.290 8.165 0.973 1.00 0.00 C ATOM 963 O ALA A 68 7.299 8.211 0.257 1.00 0.00 O ATOM 964 CB ALA A 68 3.814 7.677 0.619 1.00 0.00 C ATOM 0 H ALA A 68 5.663 8.315 -1.412 1.00 0.00 H new ATOM 0 HA ALA A 68 4.679 9.573 1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.685 7.426 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.888 8.102 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.062 6.776 0.059 1.00 0.00 H new ATOM 970 N ASP A 69 6.361 7.713 2.223 1.00 0.00 N ATOM 971 CA ASP A 69 7.550 7.022 2.719 1.00 0.00 C ATOM 972 C ASP A 69 7.200 6.128 3.905 1.00 0.00 C ATOM 973 O ASP A 69 7.098 6.591 5.045 1.00 0.00 O ATOM 974 CB ASP A 69 8.662 8.020 3.069 1.00 0.00 C ATOM 975 CG ASP A 69 9.965 7.291 3.389 1.00 0.00 C ATOM 976 OD1 ASP A 69 10.207 6.240 2.751 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.791 7.819 4.165 1.00 0.00 O ATOM 0 H ASP A 69 5.613 7.812 2.909 1.00 0.00 H new ATOM 0 HA ASP A 69 7.930 6.381 1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.818 8.704 2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.359 8.624 3.924 1.00 0.00 H new ATOM 982 N PHE A 70 6.939 4.851 3.628 1.00 0.00 N ATOM 983 CA PHE A 70 6.425 3.895 4.596 1.00 0.00 C ATOM 984 C PHE A 70 7.321 2.662 4.681 1.00 0.00 C ATOM 985 O PHE A 70 8.109 2.366 3.778 1.00 0.00 O ATOM 986 CB PHE A 70 4.971 3.544 4.254 1.00 0.00 C ATOM 987 CG PHE A 70 4.755 3.051 2.846 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.160 1.753 2.492 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.153 3.887 1.891 1.00 0.00 C ATOM 990 CE1 PHE A 70 4.956 1.297 1.183 1.00 0.00 C ATOM 991 CE2 PHE A 70 3.909 3.413 0.592 1.00 0.00 C ATOM 992 CZ PHE A 70 4.306 2.112 0.238 1.00 0.00 C ATOM 0 H PHE A 70 7.084 4.448 2.702 1.00 0.00 H new ATOM 0 HA PHE A 70 6.434 4.347 5.588 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.623 2.780 4.949 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.351 4.426 4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.626 1.111 3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.877 4.897 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.300 0.314 0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.418 4.046 -0.133 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.113 1.739 -0.757 1.00 0.00 H new ATOM 1002 N LEU A 71 7.136 1.906 5.760 1.00 0.00 N ATOM 1003 CA LEU A 71 7.784 0.627 6.023 1.00 0.00 C ATOM 1004 C LEU A 71 6.847 -0.479 5.570 1.00 0.00 C ATOM 1005 O LEU A 71 5.626 -0.317 5.600 1.00 0.00 O ATOM 1006 CB LEU A 71 8.063 0.462 7.525 1.00 0.00 C ATOM 1007 CG LEU A 71 9.277 1.253 8.038 1.00 0.00 C ATOM 1008 CD1 LEU A 71 9.365 1.089 9.552 1.00 0.00 C ATOM 1009 CD2 LEU A 71 10.590 0.720 7.456 1.00 0.00 C ATOM 0 H LEU A 71 6.501 2.182 6.509 1.00 0.00 H new ATOM 0 HA LEU A 71 8.731 0.582 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.180 0.774 8.082 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.217 -0.596 7.739 1.00 0.00 H new ATOM 0 HG LEU A 71 9.143 2.293 7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.223 1.646 9.929 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.454 1.470 10.013 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.481 0.033 9.797 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.424 1.306 7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.717 -0.324 7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.565 0.799 6.369 1.00 0.00 H new ATOM 1021 N ILE A 72 7.413 -1.621 5.194 1.00 0.00 N ATOM 1022 CA ILE A 72 6.752 -2.703 4.487 1.00 0.00 C ATOM 1023 C ILE A 72 6.904 -3.943 5.366 1.00 0.00 C ATOM 1024 O ILE A 72 7.990 -4.521 5.440 1.00 0.00 O ATOM 1025 CB ILE A 72 7.375 -2.825 3.078 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.106 -1.517 2.286 1.00 0.00 C ATOM 1027 CG2 ILE A 72 6.811 -4.034 2.309 1.00 0.00 C ATOM 1028 CD1 ILE A 72 7.951 -1.332 1.027 1.00 0.00 C ATOM 0 H ILE A 72 8.394 -1.823 5.385 1.00 0.00 H new ATOM 0 HA ILE A 72 5.687 -2.541 4.319 1.00 0.00 H new ATOM 0 HB ILE A 72 8.448 -2.980 3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.053 -1.492 2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.279 -0.669 2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.273 -4.086 1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.028 -4.949 2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.732 -3.924 2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.687 -0.390 0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.007 -1.319 1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.762 -2.155 0.338 1.00 0.00 H new ATOM 1040 N CYS A 73 5.849 -4.311 6.094 1.00 0.00 N ATOM 1041 CA CYS A 73 5.894 -5.474 6.967 1.00 0.00 C ATOM 1042 C CYS A 73 5.506 -6.741 6.190 1.00 0.00 C ATOM 1043 O CYS A 73 4.546 -6.704 5.411 1.00 0.00 O ATOM 1044 CB CYS A 73 4.995 -5.269 8.190 1.00 0.00 C ATOM 1045 SG CYS A 73 5.485 -3.775 9.103 1.00 0.00 S ATOM 0 H CYS A 73 4.956 -3.818 6.093 1.00 0.00 H new ATOM 0 HA CYS A 73 6.915 -5.601 7.327 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.956 -5.183 7.873 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.058 -6.138 8.844 1.00 0.00 H new ATOM 0 HG CYS A 73 4.707 -3.622 10.133 1.00 0.00 H new ATOM 1051 N VAL A 74 6.230 -7.842 6.424 1.00 0.00 N ATOM 1052 CA VAL A 74 6.090 -9.138 5.747 1.00 0.00 C ATOM 1053 C VAL A 74 6.227 -10.281 6.777 1.00 0.00 C ATOM 1054 O VAL A 74 6.850 -10.062 7.824 1.00 0.00 O ATOM 1055 CB VAL A 74 7.155 -9.246 4.629 1.00 0.00 C ATOM 1056 CG1 VAL A 74 7.037 -8.142 3.568 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.592 -9.232 5.177 1.00 0.00 C ATOM 0 H VAL A 74 6.968 -7.854 7.128 1.00 0.00 H new ATOM 0 HA VAL A 74 5.104 -9.220 5.289 1.00 0.00 H new ATOM 0 HB VAL A 74 6.950 -10.209 4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.813 -8.277 2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.057 -8.197 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.157 -7.168 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.298 -9.310 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.767 -8.301 5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.731 -10.075 5.854 1.00 0.00 H new ATOM 1067 N PRO A 75 5.676 -11.491 6.561 1.00 0.00 N ATOM 1068 CA PRO A 75 5.802 -12.568 7.537 1.00 0.00 C ATOM 1069 C PRO A 75 7.248 -13.056 7.572 1.00 0.00 C ATOM 1070 O PRO A 75 7.901 -13.116 6.529 1.00 0.00 O ATOM 1071 CB PRO A 75 4.867 -13.677 7.054 1.00 0.00 C ATOM 1072 CG PRO A 75 4.740 -13.452 5.551 1.00 0.00 C ATOM 1073 CD PRO A 75 4.989 -11.954 5.367 1.00 0.00 C ATOM 0 HA PRO A 75 5.541 -12.246 8.545 1.00 0.00 H new ATOM 0 HB2 PRO A 75 5.276 -14.663 7.273 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.896 -13.618 7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.467 -14.046 4.998 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.753 -13.738 5.189 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.592 -11.769 4.478 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.049 -11.420 5.231 1.00 0.00 H new ATOM 1081 N GLU A 76 7.739 -13.439 8.755 1.00 0.00 N ATOM 1082 CA GLU A 76 9.133 -13.876 8.911 1.00 0.00 C ATOM 1083 C GLU A 76 9.503 -15.028 7.961 1.00 0.00 C ATOM 1084 O GLU A 76 10.633 -15.116 7.477 1.00 0.00 O ATOM 1085 CB GLU A 76 9.494 -14.206 10.364 1.00 0.00 C ATOM 1086 CG GLU A 76 8.788 -15.420 10.977 1.00 0.00 C ATOM 1087 CD GLU A 76 9.564 -15.932 12.193 1.00 0.00 C ATOM 1088 OE1 GLU A 76 10.696 -16.441 12.008 1.00 0.00 O ATOM 1089 OE2 GLU A 76 9.026 -15.886 13.321 1.00 0.00 O ATOM 0 H GLU A 76 7.195 -13.456 9.617 1.00 0.00 H new ATOM 0 HA GLU A 76 9.741 -13.019 8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.570 -14.370 10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.272 -13.334 10.979 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.775 -15.148 11.273 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.701 -16.212 10.233 1.00 0.00 H new ATOM 1096 N GLU A 77 8.526 -15.887 7.672 1.00 0.00 N ATOM 1097 CA GLU A 77 8.563 -17.068 6.835 1.00 0.00 C ATOM 1098 C GLU A 77 8.777 -16.721 5.350 1.00 0.00 C ATOM 1099 O GLU A 77 9.222 -17.562 4.565 1.00 0.00 O ATOM 1100 CB GLU A 77 7.209 -17.736 7.116 1.00 0.00 C ATOM 1101 CG GLU A 77 7.092 -19.195 6.705 1.00 0.00 C ATOM 1102 CD GLU A 77 5.938 -19.889 7.451 1.00 0.00 C ATOM 1103 OE1 GLU A 77 4.900 -19.251 7.738 1.00 0.00 O ATOM 1104 OE2 GLU A 77 6.098 -21.074 7.825 1.00 0.00 O ATOM 0 H GLU A 77 7.594 -15.751 8.064 1.00 0.00 H new ATOM 0 HA GLU A 77 9.401 -17.729 7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.003 -17.662 8.184 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.432 -17.170 6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.926 -19.261 5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.028 -19.712 6.915 1.00 0.00 H new ATOM 1111 N ALA A 78 8.533 -15.467 4.947 1.00 0.00 N ATOM 1112 CA ALA A 78 8.801 -14.969 3.601 1.00 0.00 C ATOM 1113 C ALA A 78 9.977 -13.978 3.546 1.00 0.00 C ATOM 1114 O ALA A 78 10.276 -13.465 2.461 1.00 0.00 O ATOM 1115 CB ALA A 78 7.515 -14.353 3.044 1.00 0.00 C ATOM 0 H ALA A 78 8.135 -14.759 5.565 1.00 0.00 H new ATOM 0 HA ALA A 78 9.110 -15.809 2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.698 -13.976 2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.733 -15.112 3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.197 -13.532 3.687 1.00 0.00 H new ATOM 1121 N LEU A 79 10.623 -13.666 4.680 1.00 0.00 N ATOM 1122 CA LEU A 79 11.582 -12.567 4.756 1.00 0.00 C ATOM 1123 C LEU A 79 12.775 -12.809 3.844 1.00 0.00 C ATOM 1124 O LEU A 79 13.138 -11.937 3.053 1.00 0.00 O ATOM 1125 CB LEU A 79 12.047 -12.358 6.205 1.00 0.00 C ATOM 1126 CG LEU A 79 12.885 -11.076 6.428 1.00 0.00 C ATOM 1127 CD1 LEU A 79 12.205 -9.767 5.997 1.00 0.00 C ATOM 1128 CD2 LEU A 79 13.228 -10.935 7.916 1.00 0.00 C ATOM 0 H LEU A 79 10.493 -14.167 5.559 1.00 0.00 H new ATOM 0 HA LEU A 79 11.079 -11.662 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 79 11.171 -12.323 6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.637 -13.221 6.513 1.00 0.00 H new ATOM 0 HG LEU A 79 13.764 -11.209 5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.873 -8.928 6.194 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.979 -9.808 4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.281 -9.635 6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.818 -10.031 8.069 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.308 -10.871 8.497 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.802 -11.803 8.241 1.00 0.00 H new ATOM 1140 N ASP A 80 13.388 -13.993 3.937 1.00 0.00 N ATOM 1141 CA ASP A 80 14.577 -14.327 3.154 1.00 0.00 C ATOM 1142 C ASP A 80 14.231 -14.276 1.669 1.00 0.00 C ATOM 1143 O ASP A 80 14.969 -13.686 0.883 1.00 0.00 O ATOM 1144 CB ASP A 80 15.126 -15.713 3.522 1.00 0.00 C ATOM 1145 CG ASP A 80 16.655 -15.751 3.523 1.00 0.00 C ATOM 1146 OD1 ASP A 80 17.287 -15.557 2.461 1.00 0.00 O ATOM 1147 OD2 ASP A 80 17.260 -15.985 4.595 1.00 0.00 O ATOM 0 H ASP A 80 13.074 -14.742 4.554 1.00 0.00 H new ATOM 0 HA ASP A 80 15.354 -13.597 3.380 1.00 0.00 H new ATOM 0 HB2 ASP A 80 14.757 -15.997 4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.747 -16.451 2.815 1.00 0.00 H new ATOM 1152 N ARG A 81 13.067 -14.827 1.307 1.00 0.00 N ATOM 1153 CA ARG A 81 12.497 -14.851 -0.039 1.00 0.00 C ATOM 1154 C ARG A 81 12.520 -13.472 -0.688 1.00 0.00 C ATOM 1155 O ARG A 81 13.072 -13.333 -1.782 1.00 0.00 O ATOM 1156 CB ARG A 81 11.068 -15.427 0.042 1.00 0.00 C ATOM 1157 CG ARG A 81 10.862 -16.731 -0.738 1.00 0.00 C ATOM 1158 CD ARG A 81 9.726 -17.501 -0.064 1.00 0.00 C ATOM 1159 NE ARG A 81 9.411 -18.775 -0.716 1.00 0.00 N ATOM 1160 CZ ARG A 81 9.525 -19.972 -0.134 1.00 0.00 C ATOM 1161 NH1 ARG A 81 10.512 -20.245 0.714 1.00 0.00 N ATOM 1162 NH2 ARG A 81 8.632 -20.911 -0.398 1.00 0.00 N ATOM 0 H ARG A 81 12.466 -15.294 1.986 1.00 0.00 H new ATOM 0 HA ARG A 81 13.106 -15.491 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.819 -15.602 1.089 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.367 -14.680 -0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.616 -16.519 -1.779 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.777 -17.324 -0.741 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.994 -17.691 0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.832 -16.877 -0.054 1.00 0.00 H new ATOM 0 HE ARG A 81 9.082 -18.746 -1.681 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.207 -19.532 0.935 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.574 -21.168 1.144 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.864 -20.718 -1.041 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.711 -21.828 0.042 1.00 0.00 H new ATOM 1176 N TYR A 82 11.921 -12.459 -0.048 1.00 0.00 N ATOM 1177 CA TYR A 82 11.885 -11.109 -0.603 1.00 0.00 C ATOM 1178 C TYR A 82 13.281 -10.492 -0.550 1.00 0.00 C ATOM 1179 O TYR A 82 13.695 -9.823 -1.496 1.00 0.00 O ATOM 1180 CB TYR A 82 10.910 -10.207 0.166 1.00 0.00 C ATOM 1181 CG TYR A 82 9.430 -10.385 -0.133 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.804 -11.641 0.026 1.00 0.00 C ATOM 1183 CD2 TYR A 82 8.655 -9.268 -0.502 1.00 0.00 C ATOM 1184 CE1 TYR A 82 7.419 -11.767 -0.128 1.00 0.00 C ATOM 1185 CE2 TYR A 82 7.269 -9.396 -0.699 1.00 0.00 C ATOM 1186 CZ TYR A 82 6.646 -10.647 -0.503 1.00 0.00 C ATOM 1187 OH TYR A 82 5.323 -10.797 -0.758 1.00 0.00 O ATOM 0 H TYR A 82 11.456 -12.554 0.855 1.00 0.00 H new ATOM 0 HA TYR A 82 11.543 -11.185 -1.635 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.063 -10.372 1.232 1.00 0.00 H new ATOM 0 HB3 TYR A 82 11.175 -9.169 -0.037 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.398 -12.510 0.268 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.129 -8.307 -0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.941 -12.721 0.040 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.683 -8.540 -0.999 1.00 0.00 H new ATOM 0 HH TYR A 82 5.198 -11.492 -1.438 1.00 0.00 H new ATOM 1197 N ARG A 83 14.037 -10.703 0.533 1.00 0.00 N ATOM 1198 CA ARG A 83 15.389 -10.159 0.655 1.00 0.00 C ATOM 1199 C ARG A 83 16.339 -10.707 -0.407 1.00 0.00 C ATOM 1200 O ARG A 83 17.326 -10.040 -0.720 1.00 0.00 O ATOM 1201 CB ARG A 83 15.948 -10.464 2.046 1.00 0.00 C ATOM 1202 CG ARG A 83 15.424 -9.497 3.119 1.00 0.00 C ATOM 1203 CD ARG A 83 16.376 -9.500 4.314 1.00 0.00 C ATOM 1204 NE ARG A 83 17.659 -8.888 3.937 1.00 0.00 N ATOM 1205 CZ ARG A 83 18.656 -8.553 4.749 1.00 0.00 C ATOM 1206 NH1 ARG A 83 18.502 -8.584 6.066 1.00 0.00 N ATOM 1207 NH2 ARG A 83 19.812 -8.195 4.210 1.00 0.00 N ATOM 0 H ARG A 83 13.732 -11.249 1.339 1.00 0.00 H new ATOM 0 HA ARG A 83 15.316 -9.082 0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.685 -11.485 2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 83 17.036 -10.412 2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 83 15.342 -8.491 2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.424 -9.795 3.436 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.932 -8.951 5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.538 -10.522 4.658 1.00 0.00 H new ATOM 0 HE ARG A 83 17.799 -8.700 2.944 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.609 -8.868 6.468 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.277 -8.324 6.676 1.00 0.00 H new ATOM 0 HH21 ARG A 83 19.919 -8.182 3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 83 20.595 -7.933 4.809 1.00 0.00 H new ATOM 1221 N ARG A 84 16.073 -11.898 -0.944 1.00 0.00 N ATOM 1222 CA ARG A 84 16.815 -12.513 -2.038 1.00 0.00 C ATOM 1223 C ARG A 84 16.328 -12.058 -3.406 1.00 0.00 C ATOM 1224 O ARG A 84 16.970 -12.370 -4.409 1.00 0.00 O ATOM 1225 CB ARG A 84 16.640 -14.041 -1.974 1.00 0.00 C ATOM 1226 CG ARG A 84 17.542 -14.713 -0.931 1.00 0.00 C ATOM 1227 CD ARG A 84 17.959 -16.134 -1.313 1.00 0.00 C ATOM 1228 NE ARG A 84 18.571 -16.179 -2.659 1.00 0.00 N ATOM 1229 CZ ARG A 84 19.692 -15.550 -3.051 1.00 0.00 C ATOM 1230 NH1 ARG A 84 20.508 -14.986 -2.164 1.00 0.00 N ATOM 1231 NH2 ARG A 84 19.985 -15.462 -4.345 1.00 0.00 N ATOM 0 H ARG A 84 15.304 -12.481 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 84 17.856 -12.213 -1.920 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.599 -14.271 -1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.853 -14.465 -2.955 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.436 -14.106 -0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.021 -14.740 0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 84 18.667 -16.516 -0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 84 17.088 -16.789 -1.287 1.00 0.00 H new ATOM 0 HE ARG A 84 18.094 -16.745 -3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 84 20.287 -15.027 -1.169 1.00 0.00 H new ATOM 0 HH12 ARG A 84 21.355 -14.513 -2.479 1.00 0.00 H new ATOM 0 HH21 ARG A 84 19.359 -15.872 -5.039 1.00 0.00 H new ATOM 0 HH22 ARG A 84 20.835 -14.985 -4.644 1.00 0.00 H new ATOM 1245 N ASP A 85 15.172 -11.420 -3.483 1.00 0.00 N ATOM 1246 CA ASP A 85 14.426 -11.314 -4.725 1.00 0.00 C ATOM 1247 C ASP A 85 15.166 -10.460 -5.753 1.00 0.00 C ATOM 1248 O ASP A 85 15.758 -9.438 -5.407 1.00 0.00 O ATOM 1249 CB ASP A 85 13.079 -10.688 -4.423 1.00 0.00 C ATOM 1250 CG ASP A 85 12.220 -10.683 -5.667 1.00 0.00 C ATOM 1251 OD1 ASP A 85 11.696 -11.753 -6.028 1.00 0.00 O ATOM 1252 OD2 ASP A 85 12.167 -9.631 -6.330 1.00 0.00 O ATOM 0 H ASP A 85 14.725 -10.962 -2.688 1.00 0.00 H new ATOM 0 HA ASP A 85 14.305 -12.311 -5.148 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.580 -11.244 -3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.215 -9.669 -4.061 1.00 0.00 H new ATOM 1257 N TYR A 86 15.088 -10.830 -7.026 1.00 0.00 N ATOM 1258 CA TYR A 86 15.697 -10.186 -8.196 1.00 0.00 C ATOM 1259 C TYR A 86 15.016 -8.867 -8.591 1.00 0.00 C ATOM 1260 O TYR A 86 14.939 -8.494 -9.765 1.00 0.00 O ATOM 1261 CB TYR A 86 15.614 -11.184 -9.343 1.00 0.00 C ATOM 1262 CG TYR A 86 16.650 -11.099 -10.449 1.00 0.00 C ATOM 1263 CD1 TYR A 86 17.556 -10.025 -10.548 1.00 0.00 C ATOM 1264 CD2 TYR A 86 16.714 -12.146 -11.387 1.00 0.00 C ATOM 1265 CE1 TYR A 86 18.584 -10.049 -11.505 1.00 0.00 C ATOM 1266 CE2 TYR A 86 17.740 -12.183 -12.342 1.00 0.00 C ATOM 1267 CZ TYR A 86 18.705 -11.153 -12.380 1.00 0.00 C ATOM 1268 OH TYR A 86 19.766 -11.245 -13.229 1.00 0.00 O ATOM 0 H TYR A 86 14.554 -11.656 -7.294 1.00 0.00 H new ATOM 0 HA TYR A 86 16.726 -9.920 -7.955 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.665 -12.186 -8.916 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.630 -11.083 -9.801 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.460 -9.178 -9.884 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.968 -12.926 -11.371 1.00 0.00 H new ATOM 0 HE1 TYR A 86 19.280 -9.226 -11.572 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.792 -12.999 -13.048 1.00 0.00 H new ATOM 0 HH TYR A 86 19.692 -12.067 -13.757 1.00 0.00 H new ATOM 1278 N PHE A 87 14.374 -8.246 -7.623 1.00 0.00 N ATOM 1279 CA PHE A 87 13.748 -6.942 -7.663 1.00 0.00 C ATOM 1280 C PHE A 87 13.750 -6.393 -6.229 1.00 0.00 C ATOM 1281 O PHE A 87 14.470 -5.429 -5.953 1.00 0.00 O ATOM 1282 CB PHE A 87 12.346 -7.034 -8.298 1.00 0.00 C ATOM 1283 CG PHE A 87 11.490 -5.788 -8.431 1.00 0.00 C ATOM 1284 CD1 PHE A 87 11.907 -4.500 -8.036 1.00 0.00 C ATOM 1285 CD2 PHE A 87 10.198 -5.961 -8.962 1.00 0.00 C ATOM 1286 CE1 PHE A 87 11.042 -3.404 -8.179 1.00 0.00 C ATOM 1287 CE2 PHE A 87 9.340 -4.865 -9.115 1.00 0.00 C ATOM 1288 CZ PHE A 87 9.767 -3.587 -8.733 1.00 0.00 C ATOM 0 H PHE A 87 14.268 -8.681 -6.707 1.00 0.00 H new ATOM 0 HA PHE A 87 14.297 -6.246 -8.297 1.00 0.00 H new ATOM 0 HB2 PHE A 87 12.470 -7.451 -9.298 1.00 0.00 H new ATOM 0 HB3 PHE A 87 11.775 -7.759 -7.719 1.00 0.00 H new ATOM 0 HD1 PHE A 87 12.894 -4.357 -7.622 1.00 0.00 H new ATOM 0 HD2 PHE A 87 9.866 -6.946 -9.254 1.00 0.00 H new ATOM 0 HE1 PHE A 87 11.358 -2.421 -7.863 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.351 -5.005 -9.527 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.112 -2.739 -8.866 1.00 0.00 H new ATOM 1298 N TRP A 88 12.983 -7.009 -5.312 1.00 0.00 N ATOM 1299 CA TRP A 88 12.682 -6.461 -3.979 1.00 0.00 C ATOM 1300 C TRP A 88 13.927 -6.181 -3.114 1.00 0.00 C ATOM 1301 O TRP A 88 13.833 -5.391 -2.168 1.00 0.00 O ATOM 1302 CB TRP A 88 11.679 -7.343 -3.206 1.00 0.00 C ATOM 1303 CG TRP A 88 10.254 -7.375 -3.674 1.00 0.00 C ATOM 1304 CD1 TRP A 88 9.717 -8.152 -4.645 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.136 -6.615 -3.133 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.361 -7.910 -4.750 1.00 0.00 N ATOM 1307 CE2 TRP A 88 7.946 -6.974 -3.826 1.00 0.00 C ATOM 1308 CE3 TRP A 88 9.028 -5.644 -2.124 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 6.706 -6.394 -3.524 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 7.791 -5.052 -1.810 1.00 0.00 C ATOM 1311 CH2 TRP A 88 6.627 -5.431 -2.505 1.00 0.00 C ATOM 0 H TRP A 88 12.548 -7.916 -5.480 1.00 0.00 H new ATOM 0 HA TRP A 88 12.222 -5.493 -4.178 1.00 0.00 H new ATOM 0 HB2 TRP A 88 12.056 -8.365 -3.219 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.680 -7.016 -2.166 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.268 -8.858 -5.249 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.746 -8.365 -5.424 1.00 0.00 H new ATOM 0 HE3 TRP A 88 9.911 -5.346 -1.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.820 -6.685 -4.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 7.734 -4.304 -1.033 1.00 0.00 H new ATOM 0 HH2 TRP A 88 5.677 -4.983 -2.255 1.00 0.00 H new ATOM 1322 N GLN A 89 15.102 -6.739 -3.440 1.00 0.00 N ATOM 1323 CA GLN A 89 16.375 -6.476 -2.782 1.00 0.00 C ATOM 1324 C GLN A 89 16.630 -4.997 -2.504 1.00 0.00 C ATOM 1325 O GLN A 89 17.094 -4.653 -1.417 1.00 0.00 O ATOM 1326 CB GLN A 89 17.494 -6.983 -3.705 1.00 0.00 C ATOM 1327 CG GLN A 89 17.929 -8.388 -3.329 1.00 0.00 C ATOM 1328 CD GLN A 89 19.023 -8.875 -4.270 1.00 0.00 C ATOM 1329 OE1 GLN A 89 20.213 -8.626 -4.056 1.00 0.00 O ATOM 1330 NE2 GLN A 89 18.640 -9.523 -5.355 1.00 0.00 N ATOM 0 H GLN A 89 15.187 -7.412 -4.201 1.00 0.00 H new ATOM 0 HA GLN A 89 16.351 -6.984 -1.818 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.148 -6.972 -4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.348 -6.309 -3.648 1.00 0.00 H new ATOM 0 HG2 GLN A 89 18.292 -8.400 -2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.075 -9.064 -3.373 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.651 -9.717 -5.510 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.333 -9.829 -6.038 1.00 0.00 H new ATOM 1339 N THR A 90 16.369 -4.124 -3.478 1.00 0.00 N ATOM 1340 CA THR A 90 16.705 -2.708 -3.383 1.00 0.00 C ATOM 1341 C THR A 90 15.851 -1.945 -2.351 1.00 0.00 C ATOM 1342 O THR A 90 16.150 -0.783 -2.085 1.00 0.00 O ATOM 1343 CB THR A 90 16.675 -2.087 -4.790 1.00 0.00 C ATOM 1344 OG1 THR A 90 17.243 -0.790 -4.772 1.00 0.00 O ATOM 1345 CG2 THR A 90 15.275 -2.020 -5.398 1.00 0.00 C ATOM 0 H THR A 90 15.918 -4.382 -4.356 1.00 0.00 H new ATOM 0 HA THR A 90 17.718 -2.617 -2.992 1.00 0.00 H new ATOM 0 HB THR A 90 17.266 -2.750 -5.421 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.215 -0.433 -3.860 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.330 -1.571 -6.390 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.864 -3.027 -5.478 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.630 -1.414 -4.761 1.00 0.00 H new ATOM 1353 N TYR A 91 14.831 -2.560 -1.739 1.00 0.00 N ATOM 1354 CA TYR A 91 14.037 -1.949 -0.673 1.00 0.00 C ATOM 1355 C TYR A 91 14.160 -2.730 0.639 1.00 0.00 C ATOM 1356 O TYR A 91 13.341 -2.552 1.544 1.00 0.00 O ATOM 1357 CB TYR A 91 12.567 -1.819 -1.084 1.00 0.00 C ATOM 1358 CG TYR A 91 12.253 -0.818 -2.172 1.00 0.00 C ATOM 1359 CD1 TYR A 91 12.359 -1.196 -3.521 1.00 0.00 C ATOM 1360 CD2 TYR A 91 11.710 0.439 -1.829 1.00 0.00 C ATOM 1361 CE1 TYR A 91 11.895 -0.336 -4.527 1.00 0.00 C ATOM 1362 CE2 TYR A 91 11.245 1.303 -2.835 1.00 0.00 C ATOM 1363 CZ TYR A 91 11.314 0.903 -4.184 1.00 0.00 C ATOM 1364 OH TYR A 91 10.752 1.680 -5.145 1.00 0.00 O ATOM 0 H TYR A 91 14.533 -3.506 -1.975 1.00 0.00 H new ATOM 0 HA TYR A 91 14.437 -0.949 -0.506 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.217 -2.798 -1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.988 -1.553 -0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.797 -2.148 -3.783 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.652 0.737 -0.793 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.982 -0.622 -5.565 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.837 2.269 -2.575 1.00 0.00 H new ATOM 0 HH TYR A 91 10.397 2.498 -4.738 1.00 0.00 H new ATOM 1374 N ALA A 92 15.153 -3.617 0.786 1.00 0.00 N ATOM 1375 CA ALA A 92 15.303 -4.405 2.004 1.00 0.00 C ATOM 1376 C ALA A 92 15.517 -3.494 3.215 1.00 0.00 C ATOM 1377 O ALA A 92 15.112 -3.856 4.321 1.00 0.00 O ATOM 1378 CB ALA A 92 16.421 -5.433 1.839 1.00 0.00 C ATOM 0 H ALA A 92 15.860 -3.803 0.075 1.00 0.00 H new ATOM 0 HA ALA A 92 14.382 -4.959 2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.520 -6.013 2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.182 -6.101 1.012 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.360 -4.919 1.631 1.00 0.00 H new ATOM 1384 N ALA A 93 16.049 -2.286 3.006 1.00 0.00 N ATOM 1385 CA ALA A 93 16.168 -1.255 4.025 1.00 0.00 C ATOM 1386 C ALA A 93 14.834 -0.809 4.660 1.00 0.00 C ATOM 1387 O ALA A 93 14.877 -0.129 5.689 1.00 0.00 O ATOM 1388 CB ALA A 93 16.925 -0.053 3.448 1.00 0.00 C ATOM 0 H ALA A 93 16.416 -1.997 2.099 1.00 0.00 H new ATOM 0 HA ALA A 93 16.726 -1.704 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 93 17.015 0.721 4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.919 -0.367 3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.380 0.344 2.592 1.00 0.00 H new ATOM 1394 N TRP A 94 13.671 -1.194 4.112 1.00 0.00 N ATOM 1395 CA TRP A 94 12.351 -0.841 4.653 1.00 0.00 C ATOM 1396 C TRP A 94 11.469 -2.078 4.861 1.00 0.00 C ATOM 1397 O TRP A 94 10.300 -1.941 5.222 1.00 0.00 O ATOM 1398 CB TRP A 94 11.671 0.205 3.752 1.00 0.00 C ATOM 1399 CG TRP A 94 12.448 1.476 3.599 1.00 0.00 C ATOM 1400 CD1 TRP A 94 12.381 2.562 4.405 1.00 0.00 C ATOM 1401 CD2 TRP A 94 13.437 1.801 2.583 1.00 0.00 C ATOM 1402 NE1 TRP A 94 13.292 3.507 3.979 1.00 0.00 N ATOM 1403 CE2 TRP A 94 14.007 3.069 2.888 1.00 0.00 C ATOM 1404 CE3 TRP A 94 13.906 1.138 1.431 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 15.020 3.641 2.107 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 14.916 1.703 0.630 1.00 0.00 C ATOM 1407 CH2 TRP A 94 15.479 2.945 0.974 1.00 0.00 C ATOM 0 H TRP A 94 13.621 -1.767 3.270 1.00 0.00 H new ATOM 0 HA TRP A 94 12.494 -0.398 5.639 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.509 -0.230 2.766 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.689 0.439 4.162 1.00 0.00 H new ATOM 0 HD1 TRP A 94 11.718 2.672 5.250 1.00 0.00 H new ATOM 0 HE1 TRP A 94 13.420 4.418 4.419 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.484 0.182 1.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 15.441 4.600 2.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 15.260 1.181 -0.251 1.00 0.00 H new ATOM 0 HH2 TRP A 94 16.266 3.366 0.366 1.00 0.00 H new ATOM 1418 N ILE A 95 11.999 -3.287 4.637 1.00 0.00 N ATOM 1419 CA ILE A 95 11.272 -4.537 4.838 1.00 0.00 C ATOM 1420 C ILE A 95 11.594 -5.025 6.251 1.00 0.00 C ATOM 1421 O ILE A 95 12.770 -5.227 6.578 1.00 0.00 O ATOM 1422 CB ILE A 95 11.632 -5.566 3.742 1.00 0.00 C ATOM 1423 CG1 ILE A 95 11.168 -5.080 2.355 1.00 0.00 C ATOM 1424 CG2 ILE A 95 10.988 -6.929 4.034 1.00 0.00 C ATOM 1425 CD1 ILE A 95 11.756 -5.905 1.202 1.00 0.00 C ATOM 0 H ILE A 95 12.955 -3.421 4.308 1.00 0.00 H new ATOM 0 HA ILE A 95 10.196 -4.390 4.750 1.00 0.00 H new ATOM 0 HB ILE A 95 12.717 -5.672 3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.080 -5.123 2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 95 11.452 -4.035 2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 95 11.257 -7.634 3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 95 11.345 -7.302 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 95 9.904 -6.820 4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.392 -5.514 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.844 -5.842 1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.450 -6.946 1.307 1.00 0.00 H new ATOM 1437 N GLN A 96 10.571 -5.241 7.079 1.00 0.00 N ATOM 1438 CA GLN A 96 10.714 -5.820 8.413 1.00 0.00 C ATOM 1439 C GLN A 96 9.635 -6.879 8.686 1.00 0.00 C ATOM 1440 O GLN A 96 8.610 -6.898 8.001 1.00 0.00 O ATOM 1441 CB GLN A 96 10.672 -4.735 9.507 1.00 0.00 C ATOM 1442 CG GLN A 96 9.658 -3.606 9.293 1.00 0.00 C ATOM 1443 CD GLN A 96 9.272 -2.985 10.630 1.00 0.00 C ATOM 1444 OE1 GLN A 96 9.777 -1.939 11.023 1.00 0.00 O ATOM 1445 NE2 GLN A 96 8.355 -3.603 11.346 1.00 0.00 N ATOM 0 H GLN A 96 9.606 -5.015 6.837 1.00 0.00 H new ATOM 0 HA GLN A 96 11.690 -6.305 8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.454 -5.216 10.460 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.665 -4.294 9.592 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.083 -2.844 8.639 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.770 -3.994 8.794 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.943 -4.472 11.007 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.057 -3.212 12.240 1.00 0.00 H new ATOM 1454 N PRO A 97 9.840 -7.740 9.694 1.00 0.00 N ATOM 1455 CA PRO A 97 8.863 -8.725 10.110 1.00 0.00 C ATOM 1456 C PRO A 97 7.578 -8.135 10.650 1.00 0.00 C ATOM 1457 O PRO A 97 7.554 -7.066 11.269 1.00 0.00 O ATOM 1458 CB PRO A 97 9.549 -9.657 11.115 1.00 0.00 C ATOM 1459 CG PRO A 97 10.831 -8.926 11.501 1.00 0.00 C ATOM 1460 CD PRO A 97 11.114 -7.985 10.338 1.00 0.00 C ATOM 0 HA PRO A 97 8.533 -9.283 9.234 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.917 -9.837 11.985 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.765 -10.629 10.672 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.706 -8.375 12.433 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.654 -9.625 11.652 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.557 -7.054 10.690 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.823 -8.431 9.640 1.00 0.00 H new ATOM 1468 N MET A 98 6.511 -8.898 10.423 1.00 0.00 N ATOM 1469 CA MET A 98 5.225 -8.712 11.078 1.00 0.00 C ATOM 1470 C MET A 98 5.292 -9.172 12.528 1.00 0.00 C ATOM 1471 O MET A 98 6.070 -10.052 12.901 1.00 0.00 O ATOM 1472 CB MET A 98 4.115 -9.488 10.351 1.00 0.00 C ATOM 1473 CG MET A 98 3.792 -8.801 9.033 1.00 0.00 C ATOM 1474 SD MET A 98 2.144 -9.110 8.361 1.00 0.00 S ATOM 1475 CE MET A 98 2.294 -10.826 7.833 1.00 0.00 C ATOM 0 H MET A 98 6.520 -9.677 9.765 1.00 0.00 H new ATOM 0 HA MET A 98 4.991 -7.648 11.045 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.434 -10.514 10.169 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.223 -9.537 10.975 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.912 -7.726 9.168 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.529 -9.114 8.293 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.960 -10.919 6.800 1.00 0.00 H new ATOM 0 HE2 MET A 98 3.335 -11.140 7.907 1.00 0.00 H new ATOM 0 HE3 MET A 98 1.678 -11.459 8.472 1.00 0.00 H new