USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 579 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 17 MET CE :methyl -173:sc= -1.02 (180deg=-1.14) USER MOD Set 1.2: A 62 TYR OH : rot -44:sc= -5.93! USER MOD Set 2.1: A 18 MET CE :methyl -133:sc= -0.67 (180deg=-0.446) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -142:sc= 0.476 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.104 F(o=-1.5,f=-0.1) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0296 F(o=-3.8!,f=-0.03) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.169 F(o=-1.4!,f=-0.17) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 CYS SG : rot -109:sc= -0.7! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -160:sc= -0.673 (180deg=-1.84!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 141:sc= 1.12 (180deg=0.434) USER MOD Single : A 70 HIS : no HE2:sc= 0.0598 K(o=0.06,f=-3.7!) USER MOD Single : A 73 GLN : amide:sc= -0.211 K(o=-0.21,f=-0.75) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 150:sc= -0.546 USER MOD Single : A 81 SER OG : rot -31:sc= 1.23 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 7 8.360 -6.134 6.620 1.00 0.00 N ATOM 93 CA TYR A 7 7.057 -5.522 6.571 1.00 0.00 C ATOM 94 C TYR A 7 5.985 -6.588 6.721 1.00 0.00 C ATOM 95 O TYR A 7 6.249 -7.775 6.519 1.00 0.00 O ATOM 96 CB TYR A 7 6.874 -4.764 5.252 1.00 0.00 C ATOM 97 CG TYR A 7 6.576 -5.658 4.075 1.00 0.00 C ATOM 98 CD1 TYR A 7 7.582 -6.374 3.437 1.00 0.00 C ATOM 99 CD2 TYR A 7 5.276 -5.802 3.620 1.00 0.00 C ATOM 100 CE1 TYR A 7 7.294 -7.209 2.380 1.00 0.00 C ATOM 101 CE2 TYR A 7 4.980 -6.639 2.572 1.00 0.00 C ATOM 102 CZ TYR A 7 5.992 -7.343 1.952 1.00 0.00 C ATOM 103 OH TYR A 7 5.702 -8.200 0.918 1.00 0.00 O ATOM 0 HA TYR A 7 6.967 -4.810 7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.062 -4.046 5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.778 -4.193 5.043 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.603 -6.274 3.774 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.482 -5.247 4.097 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.085 -7.756 1.889 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.960 -6.746 2.235 1.00 0.00 H new ATOM 0 HH TYR A 7 5.007 -7.805 0.351 1.00 0.00 H new ATOM 113 N GLN A 8 4.785 -6.169 7.075 1.00 0.00 N ATOM 114 CA GLN A 8 3.670 -7.086 7.185 1.00 0.00 C ATOM 115 C GLN A 8 2.382 -6.367 6.812 1.00 0.00 C ATOM 116 O GLN A 8 2.020 -5.357 7.415 1.00 0.00 O ATOM 117 CB GLN A 8 3.579 -7.667 8.603 1.00 0.00 C ATOM 118 CG GLN A 8 3.042 -9.096 8.649 1.00 0.00 C ATOM 119 CD GLN A 8 1.562 -9.198 8.328 1.00 0.00 C ATOM 120 OE1 GLN A 8 0.795 -8.204 8.739 1.00 0.00 O flip ATOM 121 NE2 GLN A 8 1.110 -10.176 7.736 1.00 0.00 N flip ATOM 0 H GLN A 8 4.559 -5.198 7.291 1.00 0.00 H new ATOM 0 HA GLN A 8 3.825 -7.917 6.497 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.569 -7.646 9.059 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.936 -7.027 9.207 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.602 -9.709 7.943 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.220 -9.511 9.641 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.735 -10.923 7.434 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.110 -10.240 7.546 1.00 0.00 H new ATOM 130 N ILE A 9 1.719 -6.873 5.796 1.00 0.00 N ATOM 131 CA ILE A 9 0.459 -6.306 5.350 1.00 0.00 C ATOM 132 C ILE A 9 -0.675 -6.709 6.280 1.00 0.00 C ATOM 133 O ILE A 9 -0.991 -7.892 6.436 1.00 0.00 O ATOM 134 CB ILE A 9 0.133 -6.721 3.907 1.00 0.00 C ATOM 135 CG1 ILE A 9 1.229 -6.199 2.978 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.239 -6.198 3.498 1.00 0.00 C ATOM 137 CD1 ILE A 9 0.901 -6.312 1.510 1.00 0.00 C ATOM 0 H ILE A 9 2.031 -7.681 5.258 1.00 0.00 H new ATOM 0 HA ILE A 9 0.564 -5.221 5.374 1.00 0.00 H new ATOM 0 HB ILE A 9 0.100 -7.808 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.424 -5.153 3.216 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.150 -6.748 3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.453 -6.501 2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.998 -6.608 4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.248 -5.110 3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.730 -5.920 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.736 -7.359 1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.001 -5.739 1.294 1.00 0.00 H new ATOM 149 N GLU A 10 -1.273 -5.711 6.899 1.00 0.00 N ATOM 150 CA GLU A 10 -2.296 -5.926 7.900 1.00 0.00 C ATOM 151 C GLU A 10 -3.627 -5.342 7.447 1.00 0.00 C ATOM 152 O GLU A 10 -3.685 -4.517 6.528 1.00 0.00 O ATOM 153 CB GLU A 10 -1.846 -5.276 9.205 1.00 0.00 C ATOM 154 CG GLU A 10 -1.855 -3.756 9.168 1.00 0.00 C ATOM 155 CD GLU A 10 -0.989 -3.155 10.246 1.00 0.00 C ATOM 156 OE1 GLU A 10 -1.368 -3.230 11.432 1.00 0.00 O ATOM 157 OE2 GLU A 10 0.106 -2.651 9.923 1.00 0.00 O ATOM 0 H GLU A 10 -1.063 -4.729 6.722 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.438 -6.996 8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.496 -5.614 10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.839 -5.619 9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.507 -3.416 8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.878 -3.397 9.284 1.00 0.00 H new ATOM 164 N GLN A 11 -4.696 -5.779 8.090 1.00 0.00 N ATOM 165 CA GLN A 11 -6.018 -5.276 7.792 1.00 0.00 C ATOM 166 C GLN A 11 -6.288 -4.015 8.590 1.00 0.00 C ATOM 167 O GLN A 11 -5.959 -3.917 9.771 1.00 0.00 O ATOM 168 CB GLN A 11 -7.073 -6.354 8.073 1.00 0.00 C ATOM 169 CG GLN A 11 -8.499 -5.828 8.221 1.00 0.00 C ATOM 170 CD GLN A 11 -9.195 -5.522 6.903 1.00 0.00 C ATOM 171 OE1 GLN A 11 -8.435 -5.231 5.865 1.00 0.00 O flip ATOM 172 NE2 GLN A 11 -10.418 -5.573 6.815 1.00 0.00 N flip ATOM 0 H GLN A 11 -4.669 -6.485 8.825 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.075 -5.023 6.733 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.052 -7.084 7.264 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.799 -6.882 8.986 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.090 -6.563 8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.478 -4.922 8.826 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.979 -5.801 7.636 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.873 -5.388 5.921 1.00 0.00 H new ATOM 181 N LEU A 12 -6.893 -3.057 7.918 1.00 0.00 N ATOM 182 CA LEU A 12 -7.068 -1.729 8.460 1.00 0.00 C ATOM 183 C LEU A 12 -8.427 -1.598 9.124 1.00 0.00 C ATOM 184 O LEU A 12 -8.543 -1.148 10.263 1.00 0.00 O ATOM 185 CB LEU A 12 -6.937 -0.731 7.330 1.00 0.00 C ATOM 186 CG LEU A 12 -6.596 0.690 7.735 1.00 0.00 C ATOM 187 CD1 LEU A 12 -5.961 0.741 9.118 1.00 0.00 C ATOM 188 CD2 LEU A 12 -5.639 1.244 6.714 1.00 0.00 C ATOM 0 H LEU A 12 -7.277 -3.179 6.981 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.308 -1.537 9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.168 -1.087 6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.875 -0.715 6.775 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.511 1.281 7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.730 1.775 9.375 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.655 0.331 9.852 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.043 0.153 9.119 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.375 2.268 6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.738 0.632 6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.110 1.234 5.731 1.00 0.00 H new ATOM 200 N GLY A 13 -9.450 -1.996 8.393 1.00 0.00 N ATOM 201 CA GLY A 13 -10.792 -1.926 8.892 1.00 0.00 C ATOM 202 C GLY A 13 -11.750 -1.704 7.757 1.00 0.00 C ATOM 203 O GLY A 13 -11.415 -1.004 6.799 1.00 0.00 O ATOM 0 H GLY A 13 -9.367 -2.372 7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.043 -2.849 9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.878 -1.115 9.616 1.00 0.00 H new ATOM 207 N ASP A 14 -12.910 -2.338 7.845 1.00 0.00 N ATOM 208 CA ASP A 14 -13.964 -2.222 6.839 1.00 0.00 C ATOM 209 C ASP A 14 -13.569 -2.920 5.548 1.00 0.00 C ATOM 210 O ASP A 14 -14.064 -4.003 5.233 1.00 0.00 O ATOM 211 CB ASP A 14 -14.302 -0.762 6.546 1.00 0.00 C ATOM 212 CG ASP A 14 -15.034 -0.076 7.681 1.00 0.00 C ATOM 213 OD1 ASP A 14 -16.257 -0.287 7.817 1.00 0.00 O ATOM 214 OD2 ASP A 14 -14.397 0.700 8.427 1.00 0.00 O ATOM 0 H ASP A 14 -13.152 -2.953 8.622 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.849 -2.708 7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.381 -0.218 6.336 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.914 -0.712 5.645 1.00 0.00 H new ATOM 219 N SER A 15 -12.648 -2.300 4.833 1.00 0.00 N ATOM 220 CA SER A 15 -12.211 -2.768 3.530 1.00 0.00 C ATOM 221 C SER A 15 -11.038 -1.925 3.052 1.00 0.00 C ATOM 222 O SER A 15 -11.051 -1.359 1.962 1.00 0.00 O ATOM 223 CB SER A 15 -13.367 -2.718 2.527 1.00 0.00 C ATOM 224 OG SER A 15 -14.124 -1.521 2.667 1.00 0.00 O ATOM 0 H SER A 15 -12.178 -1.450 5.143 1.00 0.00 H new ATOM 0 HA SER A 15 -11.886 -3.805 3.612 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.974 -2.785 1.513 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.017 -3.581 2.675 1.00 0.00 H new ATOM 0 HG SER A 15 -14.854 -1.517 2.013 1.00 0.00 H new ATOM 230 N ALA A 16 -10.032 -1.843 3.898 1.00 0.00 N ATOM 231 CA ALA A 16 -8.829 -1.093 3.604 1.00 0.00 C ATOM 232 C ALA A 16 -7.647 -1.827 4.199 1.00 0.00 C ATOM 233 O ALA A 16 -7.813 -2.614 5.133 1.00 0.00 O ATOM 234 CB ALA A 16 -8.924 0.321 4.161 1.00 0.00 C ATOM 0 H ALA A 16 -10.026 -2.296 4.812 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.703 -1.009 2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.009 0.866 3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.775 0.833 3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.056 0.278 5.242 1.00 0.00 H new ATOM 240 N MET A 17 -6.467 -1.597 3.665 1.00 0.00 N ATOM 241 CA MET A 17 -5.286 -2.305 4.143 1.00 0.00 C ATOM 242 C MET A 17 -4.211 -1.331 4.597 1.00 0.00 C ATOM 243 O MET A 17 -4.189 -0.183 4.176 1.00 0.00 O ATOM 244 CB MET A 17 -4.737 -3.231 3.050 1.00 0.00 C ATOM 245 CG MET A 17 -3.492 -2.704 2.347 1.00 0.00 C ATOM 246 SD MET A 17 -2.650 -3.957 1.360 1.00 0.00 S ATOM 247 CE MET A 17 -3.965 -4.512 0.283 1.00 0.00 C ATOM 0 H MET A 17 -6.294 -0.935 2.909 1.00 0.00 H new ATOM 0 HA MET A 17 -5.581 -2.910 5.001 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.507 -4.200 3.493 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.516 -3.398 2.306 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.772 -1.871 1.703 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.800 -2.312 3.092 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.624 -5.371 -0.295 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.829 -4.799 0.882 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.245 -3.706 -0.395 1.00 0.00 H new ATOM 257 N MET A 18 -3.332 -1.783 5.473 1.00 0.00 N ATOM 258 CA MET A 18 -2.168 -0.992 5.840 1.00 0.00 C ATOM 259 C MET A 18 -0.935 -1.884 5.878 1.00 0.00 C ATOM 260 O MET A 18 -0.988 -3.017 6.347 1.00 0.00 O ATOM 261 CB MET A 18 -2.367 -0.282 7.180 1.00 0.00 C ATOM 262 CG MET A 18 -1.132 0.454 7.679 1.00 0.00 C ATOM 263 SD MET A 18 -1.362 1.205 9.304 1.00 0.00 S ATOM 264 CE MET A 18 -2.621 2.428 8.945 1.00 0.00 C ATOM 0 H MET A 18 -3.399 -2.687 5.941 1.00 0.00 H new ATOM 0 HA MET A 18 -2.028 -0.218 5.086 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.188 0.429 7.085 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.667 -1.016 7.928 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.295 -0.242 7.723 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.864 1.230 6.962 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.336 3.384 9.385 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.721 2.541 7.866 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.573 2.104 9.365 1.00 0.00 H new ATOM 274 N ILE A 19 0.159 -1.383 5.349 1.00 0.00 N ATOM 275 CA ILE A 19 1.395 -2.144 5.277 1.00 0.00 C ATOM 276 C ILE A 19 2.485 -1.474 6.093 1.00 0.00 C ATOM 277 O ILE A 19 3.005 -0.435 5.697 1.00 0.00 O ATOM 278 CB ILE A 19 1.881 -2.260 3.824 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.768 -2.780 2.928 1.00 0.00 C ATOM 280 CG2 ILE A 19 3.079 -3.188 3.738 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.834 -2.229 1.525 1.00 0.00 C ATOM 0 H ILE A 19 0.222 -0.443 4.958 1.00 0.00 H new ATOM 0 HA ILE A 19 1.190 -3.137 5.677 1.00 0.00 H new ATOM 0 HB ILE A 19 2.174 -1.266 3.485 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.820 -3.868 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.195 -2.523 3.368 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.411 -3.259 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.889 -2.794 4.352 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.799 -4.178 4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.014 -2.637 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.753 -1.143 1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.784 -2.509 1.069 1.00 0.00 H new ATOM 293 N ARG A 20 2.829 -2.051 7.227 1.00 0.00 N ATOM 294 CA ARG A 20 3.910 -1.503 8.029 1.00 0.00 C ATOM 295 C ARG A 20 5.227 -2.148 7.615 1.00 0.00 C ATOM 296 O ARG A 20 5.280 -3.355 7.384 1.00 0.00 O ATOM 297 CB ARG A 20 3.657 -1.717 9.534 1.00 0.00 C ATOM 298 CG ARG A 20 4.275 -2.987 10.115 1.00 0.00 C ATOM 299 CD ARG A 20 3.515 -4.245 9.724 1.00 0.00 C ATOM 300 NE ARG A 20 2.191 -4.312 10.324 1.00 0.00 N ATOM 301 CZ ARG A 20 1.876 -5.103 11.348 1.00 0.00 C ATOM 302 NH1 ARG A 20 2.769 -5.947 11.842 1.00 0.00 N ATOM 303 NH2 ARG A 20 0.662 -5.058 11.873 1.00 0.00 N ATOM 0 H ARG A 20 2.386 -2.885 7.611 1.00 0.00 H new ATOM 0 HA ARG A 20 3.960 -0.428 7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.048 -0.858 10.079 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.581 -1.742 9.707 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.307 -3.071 9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.303 -2.908 11.202 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.420 -4.284 8.639 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.090 -5.120 10.025 1.00 0.00 H new ATOM 0 HE ARG A 20 1.459 -3.716 9.936 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.704 -5.994 11.438 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.521 -6.550 12.626 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.034 -4.417 11.493 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.423 -5.665 12.657 1.00 0.00 H new ATOM 317 N PHE A 21 6.271 -1.348 7.475 1.00 0.00 N ATOM 318 CA PHE A 21 7.608 -1.891 7.287 1.00 0.00 C ATOM 319 C PHE A 21 8.414 -1.665 8.561 1.00 0.00 C ATOM 320 O PHE A 21 7.861 -1.670 9.658 1.00 0.00 O ATOM 321 CB PHE A 21 8.349 -1.254 6.098 1.00 0.00 C ATOM 322 CG PHE A 21 7.692 -1.410 4.750 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.516 -0.750 4.441 1.00 0.00 C ATOM 324 CD2 PHE A 21 8.288 -2.192 3.771 1.00 0.00 C ATOM 325 CE1 PHE A 21 5.945 -0.871 3.192 1.00 0.00 C ATOM 326 CE2 PHE A 21 7.716 -2.322 2.520 1.00 0.00 C ATOM 327 CZ PHE A 21 6.543 -1.659 2.231 1.00 0.00 C ATOM 0 H PHE A 21 6.221 -0.329 7.488 1.00 0.00 H new ATOM 0 HA PHE A 21 7.504 -2.954 7.068 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.471 -0.190 6.300 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.349 -1.685 6.045 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.039 -0.132 5.188 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.212 -2.706 3.990 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.028 -0.348 2.966 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.187 -2.941 1.771 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.093 -1.756 1.254 1.00 0.00 H new ATOM 422 N GLN A 28 15.728 1.609 3.667 1.00 0.00 N ATOM 423 CA GLN A 28 15.085 1.331 2.391 1.00 0.00 C ATOM 424 C GLN A 28 13.572 1.529 2.496 1.00 0.00 C ATOM 425 O GLN A 28 12.953 2.121 1.614 1.00 0.00 O ATOM 426 CB GLN A 28 15.418 -0.099 1.944 1.00 0.00 C ATOM 427 CG GLN A 28 15.400 -0.295 0.436 1.00 0.00 C ATOM 428 CD GLN A 28 14.006 -0.417 -0.151 1.00 0.00 C ATOM 429 OE1 GLN A 28 13.093 -1.025 0.592 1.00 0.00 O flip ATOM 430 NE2 GLN A 28 13.760 0.002 -1.278 1.00 0.00 N flip ATOM 0 HA GLN A 28 15.463 2.029 1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.404 -0.367 2.323 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.704 -0.786 2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.910 0.545 -0.036 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.967 -1.192 0.189 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.489 0.465 -1.820 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.826 -0.113 -1.672 1.00 0.00 H new ATOM 439 N VAL A 29 12.985 1.054 3.593 1.00 0.00 N ATOM 440 CA VAL A 29 11.539 1.149 3.779 1.00 0.00 C ATOM 441 C VAL A 29 11.123 2.601 3.948 1.00 0.00 C ATOM 442 O VAL A 29 10.138 3.041 3.365 1.00 0.00 O ATOM 443 CB VAL A 29 11.049 0.323 4.989 1.00 0.00 C ATOM 444 CG1 VAL A 29 11.408 -1.133 4.811 1.00 0.00 C ATOM 445 CG2 VAL A 29 11.616 0.843 6.298 1.00 0.00 C ATOM 0 H VAL A 29 13.484 0.603 4.360 1.00 0.00 H new ATOM 0 HA VAL A 29 11.074 0.734 2.885 1.00 0.00 H new ATOM 0 HB VAL A 29 9.965 0.425 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.056 -1.702 5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.937 -1.516 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.490 -1.233 4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.246 0.234 7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.704 0.792 6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.305 1.878 6.444 1.00 0.00 H new ATOM 455 N ASN A 30 11.907 3.326 4.736 1.00 0.00 N ATOM 456 CA ASN A 30 11.713 4.753 4.966 1.00 0.00 C ATOM 457 C ASN A 30 11.536 5.515 3.651 1.00 0.00 C ATOM 458 O ASN A 30 10.686 6.398 3.541 1.00 0.00 O ATOM 459 CB ASN A 30 12.924 5.281 5.741 1.00 0.00 C ATOM 460 CG ASN A 30 12.999 6.792 5.823 1.00 0.00 C ATOM 461 OD1 ASN A 30 11.989 7.492 5.890 1.00 0.00 O ATOM 462 ND2 ASN A 30 14.217 7.301 5.823 1.00 0.00 N ATOM 0 H ASN A 30 12.704 2.936 5.239 1.00 0.00 H new ATOM 0 HA ASN A 30 10.801 4.906 5.543 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.899 4.874 6.752 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.833 4.908 5.270 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.348 8.311 5.880 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.027 6.684 5.766 1.00 0.00 H new ATOM 469 N GLY A 31 12.320 5.150 2.645 1.00 0.00 N ATOM 470 CA GLY A 31 12.247 5.836 1.374 1.00 0.00 C ATOM 471 C GLY A 31 11.126 5.327 0.486 1.00 0.00 C ATOM 472 O GLY A 31 10.517 6.098 -0.255 1.00 0.00 O ATOM 0 H GLY A 31 13.003 4.393 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.107 6.902 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.197 5.722 0.851 1.00 0.00 H new ATOM 476 N ILE A 32 10.827 4.037 0.571 1.00 0.00 N ATOM 477 CA ILE A 32 9.892 3.426 -0.364 1.00 0.00 C ATOM 478 C ILE A 32 8.449 3.516 0.125 1.00 0.00 C ATOM 479 O ILE A 32 7.534 3.537 -0.682 1.00 0.00 O ATOM 480 CB ILE A 32 10.275 1.958 -0.696 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.333 1.764 -2.220 1.00 0.00 C ATOM 482 CG2 ILE A 32 9.319 0.953 -0.053 1.00 0.00 C ATOM 483 CD1 ILE A 32 9.019 2.017 -2.949 1.00 0.00 C ATOM 0 H ILE A 32 11.213 3.401 1.269 1.00 0.00 H new ATOM 0 HA ILE A 32 9.962 4.002 -1.287 1.00 0.00 H new ATOM 0 HB ILE A 32 11.262 1.767 -0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 32 11.092 2.431 -2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.658 0.745 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.627 -0.060 -0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.341 1.072 1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.307 1.129 -0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.159 1.855 -4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.258 1.332 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.699 3.045 -2.776 1.00 0.00 H new ATOM 495 N VAL A 33 8.234 3.596 1.432 1.00 0.00 N ATOM 496 CA VAL A 33 6.876 3.750 1.950 1.00 0.00 C ATOM 497 C VAL A 33 6.293 5.079 1.474 1.00 0.00 C ATOM 498 O VAL A 33 5.091 5.205 1.245 1.00 0.00 O ATOM 499 CB VAL A 33 6.833 3.663 3.491 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.698 4.737 4.111 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.404 3.755 4.006 1.00 0.00 C ATOM 0 H VAL A 33 8.965 3.558 2.143 1.00 0.00 H new ATOM 0 HA VAL A 33 6.273 2.928 1.565 1.00 0.00 H new ATOM 0 HB VAL A 33 7.231 2.692 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.654 4.658 5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.729 4.610 3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.336 5.718 3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.405 3.691 5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.967 4.705 3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.815 2.935 3.595 1.00 0.00 H new ATOM 511 N HIS A 34 7.170 6.056 1.292 1.00 0.00 N ATOM 512 CA HIS A 34 6.780 7.347 0.756 1.00 0.00 C ATOM 513 C HIS A 34 6.531 7.242 -0.747 1.00 0.00 C ATOM 514 O HIS A 34 5.545 7.770 -1.262 1.00 0.00 O ATOM 515 CB HIS A 34 7.870 8.380 1.048 1.00 0.00 C ATOM 516 CG HIS A 34 7.585 9.743 0.487 1.00 0.00 C ATOM 517 ND1 HIS A 34 6.674 10.618 1.041 1.00 0.00 N ATOM 518 CD2 HIS A 34 8.087 10.370 -0.604 1.00 0.00 C ATOM 519 CE1 HIS A 34 6.627 11.719 0.316 1.00 0.00 C ATOM 520 NE2 HIS A 34 7.473 11.595 -0.688 1.00 0.00 N ATOM 0 H HIS A 34 8.163 5.975 1.510 1.00 0.00 H new ATOM 0 HA HIS A 34 5.855 7.667 1.235 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.999 8.462 2.127 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.815 8.021 0.641 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.832 9.979 -1.282 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.001 12.577 0.512 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.643 12.295 -1.410 1.00 0.00 H new ATOM 529 N ALA A 35 7.415 6.536 -1.440 1.00 0.00 N ATOM 530 CA ALA A 35 7.329 6.413 -2.889 1.00 0.00 C ATOM 531 C ALA A 35 6.219 5.449 -3.294 1.00 0.00 C ATOM 532 O ALA A 35 5.707 5.517 -4.404 1.00 0.00 O ATOM 533 CB ALA A 35 8.666 5.958 -3.461 1.00 0.00 C ATOM 0 H ALA A 35 8.201 6.039 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 35 7.087 7.394 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.587 5.870 -4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.436 6.688 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.933 4.990 -3.037 1.00 0.00 H new ATOM 539 N ALA A 36 5.843 4.565 -2.376 1.00 0.00 N ATOM 540 CA ALA A 36 4.832 3.545 -2.638 1.00 0.00 C ATOM 541 C ALA A 36 3.466 4.164 -2.884 1.00 0.00 C ATOM 542 O ALA A 36 2.643 3.600 -3.599 1.00 0.00 O ATOM 543 CB ALA A 36 4.753 2.560 -1.484 1.00 0.00 C ATOM 0 H ALA A 36 6.229 4.535 -1.432 1.00 0.00 H new ATOM 0 HA ALA A 36 5.132 3.013 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.994 1.808 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.720 2.073 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.489 3.091 -0.570 1.00 0.00 H new ATOM 549 N ALA A 37 3.238 5.332 -2.305 1.00 0.00 N ATOM 550 CA ALA A 37 1.978 6.029 -2.480 1.00 0.00 C ATOM 551 C ALA A 37 1.815 6.398 -3.942 1.00 0.00 C ATOM 552 O ALA A 37 0.739 6.267 -4.524 1.00 0.00 O ATOM 553 CB ALA A 37 1.938 7.275 -1.611 1.00 0.00 C ATOM 0 H ALA A 37 3.910 5.816 -1.710 1.00 0.00 H new ATOM 0 HA ALA A 37 1.158 5.378 -2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.986 7.787 -1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.045 6.992 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.754 7.941 -1.892 1.00 0.00 H new ATOM 559 N ALA A 38 2.913 6.846 -4.527 1.00 0.00 N ATOM 560 CA ALA A 38 2.941 7.172 -5.936 1.00 0.00 C ATOM 561 C ALA A 38 3.207 5.931 -6.784 1.00 0.00 C ATOM 562 O ALA A 38 2.905 5.900 -7.977 1.00 0.00 O ATOM 563 CB ALA A 38 3.979 8.244 -6.214 1.00 0.00 C ATOM 0 H ALA A 38 3.799 6.992 -4.042 1.00 0.00 H new ATOM 0 HA ALA A 38 1.960 7.560 -6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.986 8.476 -7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.734 9.143 -5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.963 7.884 -5.915 1.00 0.00 H new ATOM 569 N TYR A 39 3.784 4.913 -6.161 1.00 0.00 N ATOM 570 CA TYR A 39 4.088 3.666 -6.846 1.00 0.00 C ATOM 571 C TYR A 39 2.794 2.955 -7.239 1.00 0.00 C ATOM 572 O TYR A 39 2.644 2.478 -8.366 1.00 0.00 O ATOM 573 CB TYR A 39 4.928 2.751 -5.950 1.00 0.00 C ATOM 574 CG TYR A 39 5.676 1.685 -6.715 1.00 0.00 C ATOM 575 CD1 TYR A 39 5.027 0.553 -7.189 1.00 0.00 C ATOM 576 CD2 TYR A 39 7.032 1.819 -6.971 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.710 -0.418 -7.894 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.723 0.855 -7.674 1.00 0.00 C ATOM 579 CZ TYR A 39 7.060 -0.262 -8.134 1.00 0.00 C ATOM 580 OH TYR A 39 7.757 -1.220 -8.837 1.00 0.00 O ATOM 0 H TYR A 39 4.052 4.928 -5.177 1.00 0.00 H new ATOM 0 HA TYR A 39 4.659 3.898 -7.745 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.643 3.357 -5.393 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.276 2.273 -5.218 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.970 0.430 -7.003 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.556 2.693 -6.614 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.191 -1.294 -8.255 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.779 0.975 -7.863 1.00 0.00 H new ATOM 0 HH TYR A 39 8.696 -0.950 -8.915 1.00 0.00 H new ATOM 590 N ILE A 40 1.855 2.910 -6.304 1.00 0.00 N ATOM 591 CA ILE A 40 0.619 2.168 -6.487 1.00 0.00 C ATOM 592 C ILE A 40 -0.372 2.930 -7.361 1.00 0.00 C ATOM 593 O ILE A 40 -1.151 2.328 -8.090 1.00 0.00 O ATOM 594 CB ILE A 40 -0.041 1.857 -5.132 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.933 1.107 -4.235 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.305 1.038 -5.326 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.589 1.215 -2.769 1.00 0.00 C ATOM 0 H ILE A 40 1.929 3.384 -5.404 1.00 0.00 H new ATOM 0 HA ILE A 40 0.882 1.236 -6.987 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.310 2.800 -4.656 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.947 0.056 -4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.939 1.495 -4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.756 0.829 -4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.010 1.597 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.058 0.099 -5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.320 0.659 -2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.602 2.263 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.405 0.801 -2.597 1.00 0.00 H new ATOM 609 N GLU A 41 -0.338 4.254 -7.297 1.00 0.00 N ATOM 610 CA GLU A 41 -1.292 5.060 -8.050 1.00 0.00 C ATOM 611 C GLU A 41 -1.008 4.977 -9.547 1.00 0.00 C ATOM 612 O GLU A 41 -1.890 5.220 -10.373 1.00 0.00 O ATOM 613 CB GLU A 41 -1.274 6.516 -7.575 1.00 0.00 C ATOM 614 CG GLU A 41 0.025 7.249 -7.861 1.00 0.00 C ATOM 615 CD GLU A 41 -0.054 8.720 -7.512 1.00 0.00 C ATOM 616 OE1 GLU A 41 0.210 9.078 -6.349 1.00 0.00 O ATOM 617 OE2 GLU A 41 -0.383 9.530 -8.402 1.00 0.00 O ATOM 0 H GLU A 41 0.329 4.788 -6.740 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.289 4.658 -7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.094 7.052 -8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.462 6.538 -6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.833 6.787 -7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.275 7.142 -8.917 1.00 0.00 H new ATOM 624 N GLU A 42 0.223 4.621 -9.883 1.00 0.00 N ATOM 625 CA GLU A 42 0.610 4.431 -11.269 1.00 0.00 C ATOM 626 C GLU A 42 0.267 3.020 -11.735 1.00 0.00 C ATOM 627 O GLU A 42 -0.010 2.802 -12.913 1.00 0.00 O ATOM 628 CB GLU A 42 2.107 4.693 -11.441 1.00 0.00 C ATOM 629 CG GLU A 42 2.504 6.142 -11.200 1.00 0.00 C ATOM 630 CD GLU A 42 1.945 7.081 -12.249 1.00 0.00 C ATOM 631 OE1 GLU A 42 2.565 7.207 -13.326 1.00 0.00 O ATOM 632 OE2 GLU A 42 0.891 7.699 -12.005 1.00 0.00 O ATOM 0 H GLU A 42 0.972 4.458 -9.210 1.00 0.00 H new ATOM 0 HA GLU A 42 0.054 5.141 -11.881 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.660 4.054 -10.753 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.404 4.407 -12.450 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.153 6.452 -10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.591 6.220 -11.190 1.00 0.00 H new ATOM 639 N GLN A 43 0.287 2.064 -10.808 1.00 0.00 N ATOM 640 CA GLN A 43 -0.042 0.676 -11.130 1.00 0.00 C ATOM 641 C GLN A 43 -1.071 0.113 -10.145 1.00 0.00 C ATOM 642 O GLN A 43 -0.749 -0.739 -9.314 1.00 0.00 O ATOM 643 CB GLN A 43 1.222 -0.177 -11.118 1.00 0.00 C ATOM 644 CG GLN A 43 2.190 0.179 -12.227 1.00 0.00 C ATOM 645 CD GLN A 43 3.557 -0.445 -12.035 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.818 -1.549 -12.508 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.435 0.253 -11.333 1.00 0.00 N ATOM 0 H GLN A 43 0.527 2.224 -9.830 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.480 0.651 -12.128 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.722 -0.061 -10.156 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.945 -1.227 -11.209 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.778 -0.147 -13.182 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.294 1.263 -12.278 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.178 1.166 -10.958 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.369 -0.122 -11.167 1.00 0.00 H new ATOM 656 N PRO A 44 -2.322 0.592 -10.219 1.00 0.00 N ATOM 657 CA PRO A 44 -3.384 0.202 -9.306 1.00 0.00 C ATOM 658 C PRO A 44 -4.285 -0.893 -9.869 1.00 0.00 C ATOM 659 O PRO A 44 -4.038 -1.435 -10.946 1.00 0.00 O ATOM 660 CB PRO A 44 -4.162 1.507 -9.182 1.00 0.00 C ATOM 661 CG PRO A 44 -4.040 2.161 -10.525 1.00 0.00 C ATOM 662 CD PRO A 44 -2.809 1.582 -11.193 1.00 0.00 C ATOM 0 HA PRO A 44 -3.006 -0.213 -8.372 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.205 1.322 -8.927 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.749 2.139 -8.396 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.929 1.973 -11.127 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.949 3.242 -10.420 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.052 1.118 -12.149 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.062 2.350 -11.392 1.00 0.00 H new ATOM 670 N PHE A 45 -5.321 -1.217 -9.117 1.00 0.00 N ATOM 671 CA PHE A 45 -6.358 -2.116 -9.582 1.00 0.00 C ATOM 672 C PHE A 45 -7.666 -1.325 -9.646 1.00 0.00 C ATOM 673 O PHE A 45 -7.843 -0.378 -8.884 1.00 0.00 O ATOM 674 CB PHE A 45 -6.480 -3.350 -8.667 1.00 0.00 C ATOM 675 CG PHE A 45 -7.304 -3.133 -7.430 1.00 0.00 C ATOM 676 CD1 PHE A 45 -6.782 -2.466 -6.335 1.00 0.00 C ATOM 677 CD2 PHE A 45 -8.606 -3.600 -7.371 1.00 0.00 C ATOM 678 CE1 PHE A 45 -7.547 -2.269 -5.202 1.00 0.00 C ATOM 679 CE2 PHE A 45 -9.373 -3.405 -6.241 1.00 0.00 C ATOM 680 CZ PHE A 45 -8.843 -2.737 -5.157 1.00 0.00 C ATOM 0 H PHE A 45 -5.466 -0.865 -8.171 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.110 -2.498 -10.572 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.917 -4.168 -9.239 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.480 -3.666 -8.371 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.768 -2.096 -6.367 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -9.025 -4.122 -8.218 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.130 -1.749 -4.352 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -10.387 -3.775 -6.205 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.443 -2.581 -4.273 1.00 0.00 H new ATOM 690 N PRO A 46 -8.565 -1.671 -10.588 1.00 0.00 N ATOM 691 CA PRO A 46 -9.763 -0.868 -10.930 1.00 0.00 C ATOM 692 C PRO A 46 -10.569 -0.336 -9.734 1.00 0.00 C ATOM 693 O PRO A 46 -11.244 0.688 -9.852 1.00 0.00 O ATOM 694 CB PRO A 46 -10.615 -1.848 -11.732 1.00 0.00 C ATOM 695 CG PRO A 46 -9.634 -2.762 -12.370 1.00 0.00 C ATOM 696 CD PRO A 46 -8.492 -2.900 -11.400 1.00 0.00 C ATOM 0 HA PRO A 46 -9.466 0.040 -11.454 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.304 -2.394 -11.088 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -11.218 -1.331 -12.478 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.085 -3.732 -12.580 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.289 -2.359 -13.322 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.597 -3.793 -10.784 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.536 -2.981 -11.917 1.00 0.00 H new ATOM 704 N GLY A 47 -10.500 -1.010 -8.593 1.00 0.00 N ATOM 705 CA GLY A 47 -11.291 -0.599 -7.442 1.00 0.00 C ATOM 706 C GLY A 47 -10.472 0.126 -6.399 1.00 0.00 C ATOM 707 O GLY A 47 -10.904 0.286 -5.261 1.00 0.00 O ATOM 0 H GLY A 47 -9.914 -1.831 -8.441 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.101 0.049 -7.776 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.751 -1.478 -6.990 1.00 0.00 H new ATOM 711 N PHE A 48 -9.283 0.540 -6.780 1.00 0.00 N ATOM 712 CA PHE A 48 -8.407 1.278 -5.889 1.00 0.00 C ATOM 713 C PHE A 48 -8.970 2.657 -5.590 1.00 0.00 C ATOM 714 O PHE A 48 -9.501 3.339 -6.467 1.00 0.00 O ATOM 715 CB PHE A 48 -7.015 1.376 -6.504 1.00 0.00 C ATOM 716 CG PHE A 48 -6.003 1.962 -5.582 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.949 3.322 -5.403 1.00 0.00 C ATOM 718 CD2 PHE A 48 -5.115 1.156 -4.894 1.00 0.00 C ATOM 719 CE1 PHE A 48 -5.035 3.880 -4.557 1.00 0.00 C ATOM 720 CE2 PHE A 48 -4.189 1.713 -4.038 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.149 3.081 -3.871 1.00 0.00 C ATOM 0 H PHE A 48 -8.896 0.377 -7.710 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.336 0.743 -4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.688 0.381 -6.806 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.067 1.983 -7.408 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.638 3.958 -5.938 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.147 0.085 -5.028 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.007 4.952 -4.425 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.498 1.081 -3.501 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.425 3.524 -3.204 1.00 0.00 H new ATOM 731 N ILE A 49 -8.825 3.049 -4.334 1.00 0.00 N ATOM 732 CA ILE A 49 -9.388 4.284 -3.830 1.00 0.00 C ATOM 733 C ILE A 49 -8.275 5.276 -3.478 1.00 0.00 C ATOM 734 O ILE A 49 -8.153 6.328 -4.106 1.00 0.00 O ATOM 735 CB ILE A 49 -10.268 4.004 -2.589 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.473 3.135 -2.968 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.724 5.291 -1.927 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.442 3.787 -3.931 1.00 0.00 C ATOM 0 H ILE A 49 -8.310 2.514 -3.635 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.010 4.724 -4.609 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.659 3.460 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.110 2.207 -3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.011 2.866 -2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.340 5.055 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.854 5.865 -1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.307 5.879 -2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.262 3.101 -4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.838 4.700 -3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.924 4.031 -4.859 1.00 0.00 H new ATOM 750 N GLU A 50 -7.443 4.923 -2.494 1.00 0.00 N ATOM 751 CA GLU A 50 -6.371 5.819 -2.032 1.00 0.00 C ATOM 752 C GLU A 50 -5.203 5.034 -1.456 1.00 0.00 C ATOM 753 O GLU A 50 -5.294 3.833 -1.237 1.00 0.00 O ATOM 754 CB GLU A 50 -6.843 6.788 -0.941 1.00 0.00 C ATOM 755 CG GLU A 50 -8.315 6.770 -0.640 1.00 0.00 C ATOM 756 CD GLU A 50 -8.744 7.955 0.195 1.00 0.00 C ATOM 757 OE1 GLU A 50 -9.025 9.024 -0.389 1.00 0.00 O ATOM 758 OE2 GLU A 50 -8.801 7.828 1.437 1.00 0.00 O ATOM 0 H GLU A 50 -7.488 4.030 -2.003 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.066 6.380 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.301 6.562 -0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.564 7.800 -1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.875 6.766 -1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.565 5.848 -0.114 1.00 0.00 H new ATOM 765 N CYS A 51 -4.105 5.725 -1.214 1.00 0.00 N ATOM 766 CA CYS A 51 -2.997 5.173 -0.464 1.00 0.00 C ATOM 767 C CYS A 51 -2.147 6.307 0.093 1.00 0.00 C ATOM 768 O CYS A 51 -1.688 7.172 -0.653 1.00 0.00 O ATOM 769 CB CYS A 51 -2.145 4.249 -1.333 1.00 0.00 C ATOM 770 SG CYS A 51 -1.604 4.991 -2.892 1.00 0.00 S ATOM 0 H CYS A 51 -3.958 6.683 -1.532 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.396 4.579 0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.267 3.942 -0.765 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.715 3.346 -1.551 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.237 4.433 -3.881 1.00 0.00 H new ATOM 776 N ILE A 52 -1.957 6.318 1.397 1.00 0.00 N ATOM 777 CA ILE A 52 -1.208 7.384 2.041 1.00 0.00 C ATOM 778 C ILE A 52 -0.025 6.842 2.836 1.00 0.00 C ATOM 779 O ILE A 52 -0.140 5.833 3.536 1.00 0.00 O ATOM 780 CB ILE A 52 -2.112 8.237 2.955 1.00 0.00 C ATOM 781 CG1 ILE A 52 -3.047 7.344 3.774 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.908 9.224 2.115 1.00 0.00 C ATOM 783 CD1 ILE A 52 -3.819 8.086 4.844 1.00 0.00 C ATOM 0 H ILE A 52 -2.310 5.603 2.033 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.822 8.020 1.245 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.485 8.794 3.652 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.753 6.859 3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.461 6.554 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.545 9.824 2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.223 9.877 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.527 8.679 1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.459 7.387 5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.121 8.549 5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.433 8.858 4.380 1.00 0.00 H new ATOM 795 N PRO A 53 1.133 7.503 2.713 1.00 0.00 N ATOM 796 CA PRO A 53 2.354 7.105 3.399 1.00 0.00 C ATOM 797 C PRO A 53 2.443 7.684 4.811 1.00 0.00 C ATOM 798 O PRO A 53 2.275 8.886 5.017 1.00 0.00 O ATOM 799 CB PRO A 53 3.451 7.681 2.506 1.00 0.00 C ATOM 800 CG PRO A 53 2.839 8.867 1.828 1.00 0.00 C ATOM 801 CD PRO A 53 1.339 8.707 1.890 1.00 0.00 C ATOM 0 HA PRO A 53 2.419 6.026 3.538 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.322 7.972 3.093 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.790 6.945 1.777 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.146 9.790 2.320 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.174 8.931 0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.864 9.580 2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.911 8.586 0.895 1.00 0.00 H new ATOM 809 N ALA A 54 2.709 6.822 5.778 1.00 0.00 N ATOM 810 CA ALA A 54 2.802 7.237 7.173 1.00 0.00 C ATOM 811 C ALA A 54 4.219 7.043 7.705 1.00 0.00 C ATOM 812 O ALA A 54 4.412 6.516 8.805 1.00 0.00 O ATOM 813 CB ALA A 54 1.799 6.470 8.025 1.00 0.00 C ATOM 0 H ALA A 54 2.865 5.826 5.624 1.00 0.00 H new ATOM 0 HA ALA A 54 2.563 8.299 7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.882 6.792 9.063 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.790 6.666 7.664 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.007 5.402 7.959 1.00 0.00 H new ATOM 819 N PHE A 55 5.197 7.438 6.889 1.00 0.00 N ATOM 820 CA PHE A 55 6.621 7.425 7.255 1.00 0.00 C ATOM 821 C PHE A 55 7.208 6.008 7.304 1.00 0.00 C ATOM 822 O PHE A 55 8.340 5.791 6.883 1.00 0.00 O ATOM 823 CB PHE A 55 6.851 8.148 8.588 1.00 0.00 C ATOM 824 CG PHE A 55 8.301 8.331 8.925 1.00 0.00 C ATOM 825 CD1 PHE A 55 9.083 9.223 8.212 1.00 0.00 C ATOM 826 CD2 PHE A 55 8.883 7.606 9.950 1.00 0.00 C ATOM 827 CE1 PHE A 55 10.418 9.393 8.516 1.00 0.00 C ATOM 828 CE2 PHE A 55 10.220 7.770 10.259 1.00 0.00 C ATOM 829 CZ PHE A 55 10.987 8.664 9.541 1.00 0.00 C ATOM 0 H PHE A 55 5.025 7.781 5.944 1.00 0.00 H new ATOM 0 HA PHE A 55 7.148 7.961 6.466 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.368 9.125 8.551 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.369 7.584 9.386 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.643 9.793 7.407 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.286 6.905 10.514 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.016 10.095 7.954 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.664 7.199 11.061 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.032 8.794 9.781 1.00 0.00 H new ATOM 839 N THR A 56 6.453 5.059 7.833 1.00 0.00 N ATOM 840 CA THR A 56 6.890 3.668 7.882 1.00 0.00 C ATOM 841 C THR A 56 5.733 2.717 7.553 1.00 0.00 C ATOM 842 O THR A 56 5.943 1.554 7.201 1.00 0.00 O ATOM 843 CB THR A 56 7.507 3.325 9.262 1.00 0.00 C ATOM 844 OG1 THR A 56 7.769 1.919 9.370 1.00 0.00 O ATOM 845 CG2 THR A 56 6.594 3.762 10.395 1.00 0.00 C ATOM 0 H THR A 56 5.531 5.225 8.237 1.00 0.00 H new ATOM 0 HA THR A 56 7.663 3.536 7.125 1.00 0.00 H new ATOM 0 HB THR A 56 8.448 3.869 9.342 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.159 1.725 10.248 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.053 3.508 11.351 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.438 4.840 10.342 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.635 3.252 10.307 1.00 0.00 H new ATOM 853 N SER A 57 4.510 3.226 7.644 1.00 0.00 N ATOM 854 CA SER A 57 3.325 2.434 7.347 1.00 0.00 C ATOM 855 C SER A 57 2.631 2.973 6.102 1.00 0.00 C ATOM 856 O SER A 57 2.476 4.179 5.945 1.00 0.00 O ATOM 857 CB SER A 57 2.365 2.475 8.538 1.00 0.00 C ATOM 858 OG SER A 57 3.060 2.265 9.758 1.00 0.00 O ATOM 0 H SER A 57 4.314 4.188 7.922 1.00 0.00 H new ATOM 0 HA SER A 57 3.625 1.402 7.163 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.856 3.438 8.566 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.596 1.712 8.417 1.00 0.00 H new ATOM 0 HG SER A 57 2.427 2.297 10.505 1.00 0.00 H new ATOM 864 N LEU A 58 2.240 2.084 5.212 1.00 0.00 N ATOM 865 CA LEU A 58 1.523 2.472 4.011 1.00 0.00 C ATOM 866 C LEU A 58 0.041 2.156 4.167 1.00 0.00 C ATOM 867 O LEU A 58 -0.350 0.993 4.231 1.00 0.00 O ATOM 868 CB LEU A 58 2.099 1.734 2.802 1.00 0.00 C ATOM 869 CG LEU A 58 1.494 2.105 1.447 1.00 0.00 C ATOM 870 CD1 LEU A 58 1.777 3.562 1.105 1.00 0.00 C ATOM 871 CD2 LEU A 58 2.036 1.184 0.365 1.00 0.00 C ATOM 0 H LEU A 58 2.407 1.081 5.297 1.00 0.00 H new ATOM 0 HA LEU A 58 1.638 3.545 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.172 1.921 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.967 0.663 2.957 1.00 0.00 H new ATOM 0 HG LEU A 58 0.413 1.980 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.336 3.801 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.343 4.206 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.854 3.723 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.600 1.456 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.120 1.283 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.777 0.152 0.602 1.00 0.00 H new ATOM 883 N THR A 59 -0.771 3.191 4.238 1.00 0.00 N ATOM 884 CA THR A 59 -2.197 3.036 4.441 1.00 0.00 C ATOM 885 C THR A 59 -2.904 2.987 3.085 1.00 0.00 C ATOM 886 O THR A 59 -3.025 4.007 2.406 1.00 0.00 O ATOM 887 CB THR A 59 -2.729 4.228 5.258 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.872 4.460 6.386 1.00 0.00 O ATOM 889 CG2 THR A 59 -4.145 3.982 5.743 1.00 0.00 C ATOM 0 H THR A 59 -0.463 4.160 4.157 1.00 0.00 H new ATOM 0 HA THR A 59 -2.390 2.110 4.982 1.00 0.00 H new ATOM 0 HB THR A 59 -2.739 5.103 4.608 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.211 5.220 6.904 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.488 4.843 6.316 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.802 3.831 4.886 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.164 3.095 6.376 1.00 0.00 H new ATOM 897 N VAL A 60 -3.362 1.810 2.689 1.00 0.00 N ATOM 898 CA VAL A 60 -3.916 1.614 1.357 1.00 0.00 C ATOM 899 C VAL A 60 -5.432 1.450 1.399 1.00 0.00 C ATOM 900 O VAL A 60 -5.962 0.540 2.035 1.00 0.00 O ATOM 901 CB VAL A 60 -3.282 0.390 0.666 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.777 0.252 -0.765 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.768 0.494 0.703 1.00 0.00 C ATOM 0 H VAL A 60 -3.361 0.973 3.272 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.680 2.508 0.780 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.584 -0.505 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.314 -0.619 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.860 0.130 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.513 1.146 -1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.331 -0.376 0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.453 1.400 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.431 0.533 1.739 1.00 0.00 H new ATOM 913 N PHE A 61 -6.114 2.337 0.704 1.00 0.00 N ATOM 914 CA PHE A 61 -7.561 2.329 0.638 1.00 0.00 C ATOM 915 C PHE A 61 -8.022 1.831 -0.725 1.00 0.00 C ATOM 916 O PHE A 61 -7.374 2.077 -1.744 1.00 0.00 O ATOM 917 CB PHE A 61 -8.111 3.726 0.877 1.00 0.00 C ATOM 918 CG PHE A 61 -7.855 4.283 2.248 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.639 4.879 2.563 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.842 4.232 3.220 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.420 5.410 3.817 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.624 4.757 4.478 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.413 5.347 4.778 1.00 0.00 C ATOM 0 H PHE A 61 -5.679 3.087 0.167 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.935 1.660 1.413 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.677 4.402 0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.187 3.711 0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.858 4.927 1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.794 3.776 2.990 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.473 5.875 4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.401 4.706 5.227 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.241 5.759 5.761 1.00 0.00 H new ATOM 933 N TYR A 62 -9.153 1.157 -0.742 1.00 0.00 N ATOM 934 CA TYR A 62 -9.680 0.556 -1.955 1.00 0.00 C ATOM 935 C TYR A 62 -11.124 0.143 -1.735 1.00 0.00 C ATOM 936 O TYR A 62 -11.623 0.190 -0.610 1.00 0.00 O ATOM 937 CB TYR A 62 -8.833 -0.645 -2.392 1.00 0.00 C ATOM 938 CG TYR A 62 -8.421 -1.547 -1.259 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.352 -2.312 -0.577 1.00 0.00 C ATOM 940 CD2 TYR A 62 -7.095 -1.621 -0.863 1.00 0.00 C ATOM 941 CE1 TYR A 62 -8.975 -3.127 0.463 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.712 -2.437 0.178 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.660 -3.185 0.835 1.00 0.00 C ATOM 944 OH TYR A 62 -7.294 -3.996 1.872 1.00 0.00 O ATOM 0 H TYR A 62 -9.735 1.009 0.083 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.638 1.295 -2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.396 -1.228 -3.121 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.938 -0.281 -2.897 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.391 -2.267 -0.867 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.352 -1.030 -1.378 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.713 -3.719 0.984 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.675 -2.489 0.476 1.00 0.00 H new ATOM 0 HH TYR A 62 -7.934 -3.895 2.608 1.00 0.00 H new ATOM 954 N ASP A 63 -11.792 -0.239 -2.805 1.00 0.00 N ATOM 955 CA ASP A 63 -13.191 -0.589 -2.730 1.00 0.00 C ATOM 956 C ASP A 63 -13.374 -2.094 -2.802 1.00 0.00 C ATOM 957 O ASP A 63 -12.955 -2.749 -3.761 1.00 0.00 O ATOM 958 CB ASP A 63 -13.976 0.080 -3.847 1.00 0.00 C ATOM 959 CG ASP A 63 -15.447 0.188 -3.488 1.00 0.00 C ATOM 960 OD1 ASP A 63 -16.131 -0.857 -3.445 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.921 1.310 -3.214 1.00 0.00 O ATOM 0 H ASP A 63 -11.385 -0.314 -3.737 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.572 -0.234 -1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.570 1.074 -4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.864 -0.492 -4.768 1.00 0.00 H new ATOM 966 N MET A 64 -14.025 -2.619 -1.781 1.00 0.00 N ATOM 967 CA MET A 64 -14.225 -4.054 -1.616 1.00 0.00 C ATOM 968 C MET A 64 -15.028 -4.677 -2.764 1.00 0.00 C ATOM 969 O MET A 64 -14.894 -5.869 -3.035 1.00 0.00 O ATOM 970 CB MET A 64 -14.885 -4.308 -0.249 1.00 0.00 C ATOM 971 CG MET A 64 -15.901 -5.448 -0.193 1.00 0.00 C ATOM 972 SD MET A 64 -17.484 -5.019 -0.954 1.00 0.00 S ATOM 973 CE MET A 64 -17.652 -3.306 -0.447 1.00 0.00 C ATOM 0 H MET A 64 -14.435 -2.059 -1.033 1.00 0.00 H new ATOM 0 HA MET A 64 -13.253 -4.546 -1.647 1.00 0.00 H new ATOM 0 HB2 MET A 64 -14.099 -4.513 0.478 1.00 0.00 H new ATOM 0 HB3 MET A 64 -15.381 -3.391 0.068 1.00 0.00 H new ATOM 0 HG2 MET A 64 -15.487 -6.322 -0.696 1.00 0.00 H new ATOM 0 HG3 MET A 64 -16.068 -5.728 0.847 1.00 0.00 H new ATOM 0 HE1 MET A 64 -18.697 -3.006 -0.519 1.00 0.00 H new ATOM 0 HE2 MET A 64 -17.314 -3.197 0.583 1.00 0.00 H new ATOM 0 HE3 MET A 64 -17.047 -2.673 -1.097 1.00 0.00 H new ATOM 983 N TYR A 65 -15.833 -3.880 -3.460 1.00 0.00 N ATOM 984 CA TYR A 65 -16.687 -4.427 -4.515 1.00 0.00 C ATOM 985 C TYR A 65 -15.836 -4.906 -5.685 1.00 0.00 C ATOM 986 O TYR A 65 -16.197 -5.842 -6.400 1.00 0.00 O ATOM 987 CB TYR A 65 -17.718 -3.389 -4.996 1.00 0.00 C ATOM 988 CG TYR A 65 -17.342 -2.649 -6.271 1.00 0.00 C ATOM 989 CD1 TYR A 65 -16.486 -1.554 -6.250 1.00 0.00 C ATOM 990 CD2 TYR A 65 -17.853 -3.050 -7.501 1.00 0.00 C ATOM 991 CE1 TYR A 65 -16.150 -0.883 -7.410 1.00 0.00 C ATOM 992 CE2 TYR A 65 -17.522 -2.386 -8.665 1.00 0.00 C ATOM 993 CZ TYR A 65 -16.671 -1.303 -8.615 1.00 0.00 C ATOM 994 OH TYR A 65 -16.334 -0.640 -9.774 1.00 0.00 O ATOM 0 H TYR A 65 -15.914 -2.873 -3.319 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.233 -5.274 -4.100 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.671 -3.893 -5.155 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.872 -2.658 -4.202 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.075 -1.221 -5.308 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -18.521 -3.897 -7.546 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.483 -0.034 -7.373 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -17.928 -2.714 -9.611 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.785 -1.062 -10.535 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.690 -4.270 -5.857 1.00 0.00 N ATOM 1005 CA GLU A 66 -13.832 -4.556 -6.986 1.00 0.00 C ATOM 1006 C GLU A 66 -12.838 -5.632 -6.606 1.00 0.00 C ATOM 1007 O GLU A 66 -12.395 -6.423 -7.436 1.00 0.00 O ATOM 1008 CB GLU A 66 -13.110 -3.293 -7.434 1.00 0.00 C ATOM 1009 CG GLU A 66 -13.240 -3.011 -8.920 1.00 0.00 C ATOM 1010 CD GLU A 66 -12.695 -4.132 -9.770 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -11.465 -4.322 -9.786 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -13.499 -4.837 -10.414 1.00 0.00 O ATOM 0 H GLU A 66 -14.335 -3.552 -5.226 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.439 -4.913 -7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.503 -2.443 -6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.053 -3.380 -7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.290 -2.850 -9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.712 -2.088 -9.159 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.493 -5.668 -5.333 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.604 -6.692 -4.837 1.00 0.00 C ATOM 1021 C VAL A 67 -12.339 -8.023 -4.824 1.00 0.00 C ATOM 1022 O VAL A 67 -11.766 -9.059 -5.134 1.00 0.00 O ATOM 1023 CB VAL A 67 -11.048 -6.342 -3.432 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.712 -4.863 -3.360 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -12.012 -6.715 -2.320 1.00 0.00 C ATOM 0 H VAL A 67 -12.814 -5.003 -4.630 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.742 -6.761 -5.501 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.143 -6.931 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.322 -4.626 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.961 -4.624 -4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.612 -4.276 -3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.576 -6.450 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.950 -6.176 -2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.203 -7.788 -2.349 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.632 -7.961 -4.513 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.511 -9.120 -4.538 1.00 0.00 C ATOM 1037 C TYR A 68 -14.743 -9.583 -5.971 1.00 0.00 C ATOM 1038 O TYR A 68 -15.082 -10.742 -6.209 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.840 -8.786 -3.850 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.782 -9.963 -3.731 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -16.525 -10.988 -2.828 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -17.923 -10.050 -4.517 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -17.380 -12.067 -2.714 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -18.783 -11.126 -4.408 1.00 0.00 C ATOM 1045 CZ TYR A 68 -18.507 -12.131 -3.506 1.00 0.00 C ATOM 1046 OH TYR A 68 -19.363 -13.206 -3.395 1.00 0.00 O ATOM 0 H TYR A 68 -14.099 -7.098 -4.235 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.035 -9.935 -3.993 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.634 -8.396 -2.853 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.336 -7.991 -4.407 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.643 -10.940 -2.206 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -18.142 -9.264 -5.225 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -17.167 -12.856 -2.008 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -19.667 -11.179 -5.026 1.00 0.00 H new ATOM 0 HH TYR A 68 -20.108 -13.097 -4.022 1.00 0.00 H new ATOM 1056 N LYS A 69 -14.549 -8.672 -6.923 1.00 0.00 N ATOM 1057 CA LYS A 69 -14.593 -9.030 -8.336 1.00 0.00 C ATOM 1058 C LYS A 69 -13.505 -10.037 -8.594 1.00 0.00 C ATOM 1059 O LYS A 69 -13.664 -10.987 -9.355 1.00 0.00 O ATOM 1060 CB LYS A 69 -14.322 -7.822 -9.221 1.00 0.00 C ATOM 1061 CG LYS A 69 -14.851 -7.963 -10.639 1.00 0.00 C ATOM 1062 CD LYS A 69 -16.331 -7.634 -10.719 1.00 0.00 C ATOM 1063 CE LYS A 69 -16.584 -6.154 -10.468 1.00 0.00 C ATOM 1064 NZ LYS A 69 -15.878 -5.296 -11.459 1.00 0.00 N ATOM 0 H LYS A 69 -14.361 -7.686 -6.741 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.583 -9.423 -8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.771 -6.941 -8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.247 -7.648 -9.261 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.294 -7.302 -11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.685 -8.981 -10.990 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.714 -7.909 -11.702 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.878 -8.228 -9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -17.655 -5.956 -10.513 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.254 -5.894 -9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.488 -4.495 -11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.996 -4.937 -11.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.657 -5.855 -12.307 1.00 0.00 H new ATOM 1078 N HIS A 70 -12.388 -9.798 -7.932 1.00 0.00 N ATOM 1079 CA HIS A 70 -11.232 -10.641 -8.066 1.00 0.00 C ATOM 1080 C HIS A 70 -11.371 -11.848 -7.142 1.00 0.00 C ATOM 1081 O HIS A 70 -11.595 -12.960 -7.615 1.00 0.00 O ATOM 1082 CB HIS A 70 -9.948 -9.861 -7.741 1.00 0.00 C ATOM 1083 CG HIS A 70 -9.624 -8.763 -8.717 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -10.259 -7.539 -8.725 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -8.704 -8.707 -9.708 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -9.743 -6.783 -9.674 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -8.794 -7.464 -10.286 1.00 0.00 N ATOM 0 H HIS A 70 -12.264 -9.015 -7.290 1.00 0.00 H new ATOM 0 HA HIS A 70 -11.164 -10.985 -9.098 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.042 -9.429 -6.745 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.112 -10.559 -7.708 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -11.011 -7.261 -8.095 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.023 -9.496 -9.993 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.047 -5.774 -9.911 1.00 0.00 H new ATOM 1096 N LEU A 71 -11.266 -11.578 -5.827 1.00 0.00 N ATOM 1097 CA LEU A 71 -11.369 -12.580 -4.746 1.00 0.00 C ATOM 1098 C LEU A 71 -11.042 -14.007 -5.217 1.00 0.00 C ATOM 1099 O LEU A 71 -11.926 -14.864 -5.269 1.00 0.00 O ATOM 1100 CB LEU A 71 -12.768 -12.550 -4.112 1.00 0.00 C ATOM 1101 CG LEU A 71 -12.848 -12.014 -2.668 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -12.075 -12.903 -1.698 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -12.333 -10.587 -2.584 1.00 0.00 C ATOM 0 H LEU A 71 -11.103 -10.634 -5.477 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.621 -12.306 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.416 -11.940 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.172 -13.562 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.899 -12.025 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.153 -12.495 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.492 -13.910 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.027 -12.940 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.401 -10.235 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.293 -10.556 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.934 -9.945 -3.227 1.00 0.00 H new ATOM 1115 N PRO A 72 -9.772 -14.278 -5.570 1.00 0.00 N ATOM 1116 CA PRO A 72 -9.360 -15.582 -6.115 1.00 0.00 C ATOM 1117 C PRO A 72 -9.576 -16.726 -5.127 1.00 0.00 C ATOM 1118 O PRO A 72 -9.564 -16.521 -3.912 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.863 -15.397 -6.400 1.00 0.00 C ATOM 1120 CG PRO A 72 -7.655 -13.923 -6.436 1.00 0.00 C ATOM 1121 CD PRO A 72 -8.639 -13.352 -5.462 1.00 0.00 C ATOM 0 HA PRO A 72 -9.945 -15.854 -6.994 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.254 -15.862 -5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.582 -15.858 -7.347 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.633 -13.665 -6.158 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.822 -13.528 -7.438 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.236 -13.321 -4.450 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.923 -12.332 -5.723 1.00 0.00 H new ATOM 1129 N GLN A 73 -9.771 -17.933 -5.652 1.00 0.00 N ATOM 1130 CA GLN A 73 -10.012 -19.096 -4.810 1.00 0.00 C ATOM 1131 C GLN A 73 -8.755 -19.445 -4.021 1.00 0.00 C ATOM 1132 O GLN A 73 -7.755 -19.901 -4.577 1.00 0.00 O ATOM 1133 CB GLN A 73 -10.467 -20.291 -5.648 1.00 0.00 C ATOM 1134 CG GLN A 73 -11.009 -21.435 -4.808 1.00 0.00 C ATOM 1135 CD GLN A 73 -12.207 -21.022 -3.970 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -12.993 -20.159 -4.368 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -12.348 -21.618 -2.796 1.00 0.00 N ATOM 0 H GLN A 73 -9.766 -18.128 -6.653 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.810 -18.852 -4.108 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.237 -19.965 -6.347 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.628 -20.651 -6.243 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.294 -22.259 -5.462 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.221 -21.806 -4.152 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.678 -22.328 -2.501 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.127 -21.367 -2.187 1.00 0.00 H new ATOM 1146 N GLY A 74 -8.819 -19.200 -2.727 1.00 0.00 N ATOM 1147 CA GLY A 74 -7.674 -19.367 -1.860 1.00 0.00 C ATOM 1148 C GLY A 74 -7.527 -18.143 -0.998 1.00 0.00 C ATOM 1149 O GLY A 74 -7.073 -18.204 0.144 1.00 0.00 O ATOM 0 H GLY A 74 -9.663 -18.881 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.800 -20.253 -1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.772 -19.520 -2.453 1.00 0.00 H new ATOM 1153 N ILE A 75 -7.940 -17.025 -1.573 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.062 -15.773 -0.861 1.00 0.00 C ATOM 1155 C ILE A 75 -9.368 -15.771 -0.086 1.00 0.00 C ATOM 1156 O ILE A 75 -10.453 -15.857 -0.665 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.046 -14.599 -1.847 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -6.783 -14.652 -2.714 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.136 -13.282 -1.099 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -5.510 -14.273 -1.985 1.00 0.00 C ATOM 0 H ILE A 75 -8.201 -16.966 -2.557 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.222 -15.664 -0.175 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.913 -14.677 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.673 -15.660 -3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.913 -13.984 -3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.124 -12.457 -1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.062 -13.252 -0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.287 -13.189 -0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.665 -14.337 -2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.596 -13.253 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.352 -14.955 -1.150 1.00 0.00 H new ATOM 1172 N SER A 76 -9.258 -15.686 1.219 1.00 0.00 N ATOM 1173 CA SER A 76 -10.411 -15.791 2.085 1.00 0.00 C ATOM 1174 C SER A 76 -10.917 -14.410 2.469 1.00 0.00 C ATOM 1175 O SER A 76 -11.924 -14.273 3.162 1.00 0.00 O ATOM 1176 CB SER A 76 -10.014 -16.565 3.333 1.00 0.00 C ATOM 1177 OG SER A 76 -9.425 -17.813 2.995 1.00 0.00 O ATOM 0 H SER A 76 -8.375 -15.543 1.708 1.00 0.00 H new ATOM 0 HA SER A 76 -11.212 -16.313 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.312 -15.976 3.922 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.892 -16.731 3.957 1.00 0.00 H new ATOM 0 HG SER A 76 -9.177 -18.290 3.814 1.00 0.00 H new ATOM 1183 N SER A 77 -10.223 -13.389 1.997 1.00 0.00 N ATOM 1184 CA SER A 77 -10.477 -12.040 2.453 1.00 0.00 C ATOM 1185 C SER A 77 -10.305 -11.005 1.343 1.00 0.00 C ATOM 1186 O SER A 77 -9.356 -11.070 0.562 1.00 0.00 O ATOM 1187 CB SER A 77 -9.522 -11.742 3.598 1.00 0.00 C ATOM 1188 OG SER A 77 -9.753 -10.459 4.150 1.00 0.00 O ATOM 0 H SER A 77 -9.482 -13.471 1.301 1.00 0.00 H new ATOM 0 HA SER A 77 -11.515 -11.973 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.637 -12.499 4.374 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.494 -11.805 3.241 1.00 0.00 H new ATOM 0 HG SER A 77 -9.517 -10.465 5.101 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.238 -10.043 1.261 1.00 0.00 N ATOM 1195 CA PRO A 78 -11.147 -8.905 0.341 1.00 0.00 C ATOM 1196 C PRO A 78 -9.780 -8.221 0.357 1.00 0.00 C ATOM 1197 O PRO A 78 -9.123 -8.123 -0.678 1.00 0.00 O ATOM 1198 CB PRO A 78 -12.223 -7.959 0.865 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.249 -8.860 1.448 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.490 -10.015 2.042 1.00 0.00 C ATOM 0 HA PRO A 78 -11.281 -9.213 -0.696 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.822 -7.275 1.613 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.639 -7.347 0.065 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.835 -8.345 2.209 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.948 -9.202 0.685 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.297 -9.865 3.104 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.043 -10.950 1.948 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.350 -7.763 1.529 1.00 0.00 N ATOM 1209 CA PHE A 79 -8.065 -7.073 1.657 1.00 0.00 C ATOM 1210 C PHE A 79 -6.913 -7.973 1.198 1.00 0.00 C ATOM 1211 O PHE A 79 -5.903 -7.499 0.673 1.00 0.00 O ATOM 1212 CB PHE A 79 -7.848 -6.613 3.109 1.00 0.00 C ATOM 1213 CG PHE A 79 -6.906 -7.460 3.926 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -7.361 -8.574 4.610 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -5.564 -7.126 4.015 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -6.496 -9.344 5.365 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -4.695 -7.889 4.770 1.00 0.00 C ATOM 1218 CZ PHE A 79 -5.160 -8.999 5.445 1.00 0.00 C ATOM 0 H PHE A 79 -9.869 -7.855 2.402 1.00 0.00 H new ATOM 0 HA PHE A 79 -8.083 -6.194 1.013 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.470 -5.591 3.095 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.815 -6.588 3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.405 -8.845 4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.193 -6.259 3.488 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.863 -10.213 5.891 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.652 -7.617 4.832 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.481 -9.597 6.035 1.00 0.00 H new ATOM 1228 N GLU A 80 -7.091 -9.273 1.380 1.00 0.00 N ATOM 1229 CA GLU A 80 -6.058 -10.242 1.057 1.00 0.00 C ATOM 1230 C GLU A 80 -5.943 -10.444 -0.453 1.00 0.00 C ATOM 1231 O GLU A 80 -4.874 -10.792 -0.958 1.00 0.00 O ATOM 1232 CB GLU A 80 -6.357 -11.567 1.761 1.00 0.00 C ATOM 1233 CG GLU A 80 -5.342 -12.663 1.492 1.00 0.00 C ATOM 1234 CD GLU A 80 -5.687 -13.949 2.208 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -6.650 -14.628 1.795 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -5.011 -14.280 3.202 1.00 0.00 O ATOM 0 H GLU A 80 -7.948 -9.682 1.752 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.100 -9.860 1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.407 -11.390 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.342 -11.916 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.287 -12.850 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.354 -12.327 1.808 1.00 0.00 H new ATOM 1243 N SER A 81 -7.029 -10.204 -1.181 1.00 0.00 N ATOM 1244 CA SER A 81 -6.996 -10.353 -2.628 1.00 0.00 C ATOM 1245 C SER A 81 -6.211 -9.199 -3.228 1.00 0.00 C ATOM 1246 O SER A 81 -5.448 -9.373 -4.176 1.00 0.00 O ATOM 1247 CB SER A 81 -8.410 -10.418 -3.224 1.00 0.00 C ATOM 1248 OG SER A 81 -9.122 -9.206 -3.039 1.00 0.00 O ATOM 0 H SER A 81 -7.928 -9.910 -0.799 1.00 0.00 H new ATOM 0 HA SER A 81 -6.505 -11.296 -2.871 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.344 -10.641 -4.289 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.961 -11.236 -2.761 1.00 0.00 H new ATOM 0 HG SER A 81 -8.826 -8.776 -2.210 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.378 -8.029 -2.624 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.679 -6.824 -3.047 1.00 0.00 C ATOM 1256 C VAL A 82 -4.191 -6.945 -2.766 1.00 0.00 C ATOM 1257 O VAL A 82 -3.369 -6.297 -3.415 1.00 0.00 O ATOM 1258 CB VAL A 82 -6.216 -5.590 -2.311 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.698 -4.321 -2.956 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.729 -5.608 -2.282 1.00 0.00 C ATOM 0 H VAL A 82 -7.001 -7.890 -1.828 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.846 -6.709 -4.118 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.859 -5.615 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.089 -3.455 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.609 -4.311 -2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.023 -4.282 -3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.093 -4.726 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.113 -5.607 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.072 -6.505 -1.767 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.849 -7.781 -1.792 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.457 -8.035 -1.472 1.00 0.00 C ATOM 1272 C LYS A 83 -1.713 -8.496 -2.707 1.00 0.00 C ATOM 1273 O LYS A 83 -0.572 -8.139 -2.915 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.324 -9.070 -0.363 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.424 -8.465 1.024 1.00 0.00 C ATOM 1276 CD LYS A 83 -2.477 -9.531 2.104 1.00 0.00 C ATOM 1277 CE LYS A 83 -1.268 -10.453 2.044 1.00 0.00 C ATOM 1278 NZ LYS A 83 -1.208 -11.371 3.213 1.00 0.00 N ATOM 0 H LYS A 83 -4.517 -8.291 -1.214 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.018 -7.103 -1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.102 -9.824 -0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.366 -9.581 -0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.568 -7.814 1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.316 -7.842 1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.523 -9.055 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.388 -10.118 1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.304 -11.038 1.125 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.358 -9.855 2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.370 -11.981 3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.148 -10.814 4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.064 -11.961 3.236 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.393 -9.252 -3.548 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.773 -9.790 -4.750 1.00 0.00 C ATOM 1294 C ARG A 84 -1.527 -8.672 -5.757 1.00 0.00 C ATOM 1295 O ARG A 84 -0.497 -8.641 -6.430 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.661 -10.876 -5.358 1.00 0.00 C ATOM 1297 CG ARG A 84 -3.259 -11.811 -4.319 1.00 0.00 C ATOM 1298 CD ARG A 84 -2.191 -12.435 -3.427 1.00 0.00 C ATOM 1299 NE ARG A 84 -1.231 -13.238 -4.176 1.00 0.00 N ATOM 1300 CZ ARG A 84 0.043 -13.417 -3.815 1.00 0.00 C ATOM 1301 NH1 ARG A 84 0.530 -12.811 -2.733 1.00 0.00 N ATOM 1302 NH2 ARG A 84 0.832 -14.201 -4.542 1.00 0.00 N ATOM 0 H ARG A 84 -3.372 -9.509 -3.424 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.814 -10.235 -4.486 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.467 -10.405 -5.920 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.076 -11.460 -6.069 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.969 -11.260 -3.702 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.818 -12.601 -4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.661 -11.645 -2.895 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.672 -13.059 -2.674 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.553 -13.692 -5.031 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.071 -12.205 -2.174 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.504 -12.953 -2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.465 -14.664 -5.373 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.805 -14.339 -4.269 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.467 -7.733 -5.814 1.00 0.00 N ATOM 1317 CA ASP A 85 -2.392 -6.609 -6.727 1.00 0.00 C ATOM 1318 C ASP A 85 -1.286 -5.655 -6.324 1.00 0.00 C ATOM 1319 O ASP A 85 -0.633 -5.050 -7.169 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.725 -5.860 -6.759 1.00 0.00 C ATOM 1321 CG ASP A 85 -4.837 -6.694 -7.357 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -4.875 -6.834 -8.597 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -5.662 -7.228 -6.590 1.00 0.00 O ATOM 0 H ASP A 85 -3.300 -7.735 -5.226 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.172 -7.000 -7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.999 -5.566 -5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.610 -4.943 -7.337 1.00 0.00 H new ATOM 1328 N VAL A 86 -1.077 -5.506 -5.032 1.00 0.00 N ATOM 1329 CA VAL A 86 -0.040 -4.614 -4.554 1.00 0.00 C ATOM 1330 C VAL A 86 1.311 -5.329 -4.495 1.00 0.00 C ATOM 1331 O VAL A 86 2.310 -4.793 -4.966 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.399 -3.976 -3.190 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -1.692 -3.186 -3.312 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.513 -5.019 -2.088 1.00 0.00 C ATOM 0 H VAL A 86 -1.604 -5.984 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 86 0.038 -3.797 -5.272 1.00 0.00 H new ATOM 0 HB VAL A 86 0.411 -3.301 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.938 -2.740 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.568 -2.398 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.498 -3.852 -3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.766 -4.529 -1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.293 -5.736 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.438 -5.540 -1.981 1.00 0.00 H new ATOM 1344 N GLU A 87 1.328 -6.553 -3.965 1.00 0.00 N ATOM 1345 CA GLU A 87 2.559 -7.341 -3.855 1.00 0.00 C ATOM 1346 C GLU A 87 3.307 -7.437 -5.179 1.00 0.00 C ATOM 1347 O GLU A 87 4.519 -7.293 -5.209 1.00 0.00 O ATOM 1348 CB GLU A 87 2.257 -8.753 -3.356 1.00 0.00 C ATOM 1349 CG GLU A 87 2.062 -8.844 -1.854 1.00 0.00 C ATOM 1350 CD GLU A 87 3.334 -8.548 -1.098 1.00 0.00 C ATOM 1351 OE1 GLU A 87 4.300 -9.320 -1.246 1.00 0.00 O ATOM 1352 OE2 GLU A 87 3.375 -7.548 -0.364 1.00 0.00 O ATOM 0 H GLU A 87 0.498 -7.023 -3.603 1.00 0.00 H new ATOM 0 HA GLU A 87 3.193 -6.819 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.358 -9.119 -3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.074 -9.414 -3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.286 -8.143 -1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.710 -9.842 -1.594 1.00 0.00 H new