USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 981 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 68 MET CE :methyl 176:sc= 0 (180deg=-0.00816) USER MOD Set 1.2: A 74 CYS SG : rot 176:sc= 0.225 USER MOD Set 2.1: A 55 THR OG1 : rot 85:sc= 1.87 USER MOD Set 2.2: A 57 THR OG1 : rot -130:sc= 1.02 USER MOD Set 3.1: A 50 LYS NZ :NH3+ -144:sc= 1.05 (180deg=0.13) USER MOD Set 3.2: A 52 SER OG : rot 76:sc= 1.18 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.057 (180deg=0) USER MOD Single : A 3 SER OG : rot 67:sc= 0.341 USER MOD Single : A 9 THR OG1 : rot 130:sc= 0.571 USER MOD Single : A 12 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.5!) USER MOD Single : A 16 THR OG1 : rot -79:sc= 1.27 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 137:sc= -0.557 (180deg=-1.81) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 77:sc= 1.27 USER MOD Single : A 45 MET CE :methyl -164:sc= -0.141 (180deg=-0.402) USER MOD Single : A 47 LYS NZ :NH3+ -152:sc= 1.23 (180deg=1.08) USER MOD Single : A 49 LYS NZ :NH3+ 151:sc= 1.29 (180deg=1.07) USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= 1.16 (180deg=0.75) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -133:sc= 0.832 (180deg=0.0204) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 163:sc= -0.0521 (180deg=-0.202) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 70:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 171:sc= 1.18 (180deg=0.978) USER MOD Single : A 98 SER OG : rot 152:sc= 2.1 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 110 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.35) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 99:sc= 0.0225 USER MOD Single : A 125 LYS NZ :NH3+ -165:sc= 0.877 (180deg=0.724) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.895 -15.615 -4.364 1.00 0.00 N ATOM 2 CA MET A 1 9.058 -14.461 -3.947 1.00 0.00 C ATOM 3 C MET A 1 9.835 -13.152 -4.131 1.00 0.00 C ATOM 4 O MET A 1 11.068 -13.144 -4.083 1.00 0.00 O ATOM 5 CB MET A 1 8.564 -14.582 -2.487 1.00 0.00 C ATOM 6 CG MET A 1 7.503 -15.673 -2.285 1.00 0.00 C ATOM 7 SD MET A 1 6.809 -15.711 -0.607 1.00 0.00 S ATOM 8 CE MET A 1 5.625 -17.072 -0.797 1.00 0.00 C ATOM 0 H1 MET A 1 9.514 -16.021 -5.242 1.00 0.00 H new ATOM 0 H2 MET A 1 10.871 -15.295 -4.525 1.00 0.00 H new ATOM 0 H3 MET A 1 9.887 -16.338 -3.616 1.00 0.00 H new ATOM 0 HA MET A 1 8.175 -14.459 -4.586 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.416 -14.791 -1.840 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.152 -13.624 -2.171 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.695 -15.519 -3.000 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.945 -16.644 -2.508 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.104 -17.235 0.146 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.902 -16.819 -1.572 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.157 -17.980 -1.079 1.00 0.00 H new ATOM 20 N ALA A 2 9.120 -12.028 -4.303 1.00 0.00 N ATOM 21 CA ALA A 2 9.709 -10.707 -4.553 1.00 0.00 C ATOM 22 C ALA A 2 10.713 -10.267 -3.478 1.00 0.00 C ATOM 23 O ALA A 2 11.607 -9.476 -3.781 1.00 0.00 O ATOM 24 CB ALA A 2 8.595 -9.660 -4.700 1.00 0.00 C ATOM 0 H ALA A 2 8.101 -12.014 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 2 10.275 -10.789 -5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.038 -8.681 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.949 -9.930 -5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.006 -9.624 -3.783 1.00 0.00 H new ATOM 30 N SER A 3 10.577 -10.771 -2.242 1.00 0.00 N ATOM 31 CA SER A 3 11.438 -10.438 -1.102 1.00 0.00 C ATOM 32 C SER A 3 11.533 -8.914 -0.870 1.00 0.00 C ATOM 33 O SER A 3 12.564 -8.388 -0.445 1.00 0.00 O ATOM 34 CB SER A 3 12.800 -11.131 -1.273 1.00 0.00 C ATOM 35 OG SER A 3 12.639 -12.511 -1.581 1.00 0.00 O ATOM 0 H SER A 3 9.844 -11.440 -2.004 1.00 0.00 H new ATOM 0 HA SER A 3 10.991 -10.822 -0.185 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.363 -10.641 -2.068 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.382 -11.025 -0.358 1.00 0.00 H new ATOM 0 HG SER A 3 12.230 -12.603 -2.467 1.00 0.00 H new ATOM 41 N VAL A 4 10.465 -8.198 -1.233 1.00 0.00 N ATOM 42 CA VAL A 4 10.392 -6.742 -1.294 1.00 0.00 C ATOM 43 C VAL A 4 10.252 -6.107 0.104 1.00 0.00 C ATOM 44 O VAL A 4 10.551 -4.923 0.268 1.00 0.00 O ATOM 45 CB VAL A 4 9.266 -6.374 -2.291 1.00 0.00 C ATOM 46 CG1 VAL A 4 7.902 -6.970 -1.907 1.00 0.00 C ATOM 47 CG2 VAL A 4 9.117 -4.867 -2.530 1.00 0.00 C ATOM 0 H VAL A 4 9.588 -8.642 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 4 11.326 -6.319 -1.664 1.00 0.00 H new ATOM 0 HB VAL A 4 9.592 -6.828 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.156 -6.676 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.975 -8.057 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.607 -6.600 -0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.309 -4.689 -3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.888 -4.370 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.048 -4.469 -2.934 1.00 0.00 H new ATOM 57 N GLU A 5 9.830 -6.870 1.121 1.00 0.00 N ATOM 58 CA GLU A 5 9.794 -6.412 2.509 1.00 0.00 C ATOM 59 C GLU A 5 11.197 -6.009 3.001 1.00 0.00 C ATOM 60 O GLU A 5 12.210 -6.499 2.491 1.00 0.00 O ATOM 61 CB GLU A 5 9.141 -7.471 3.421 1.00 0.00 C ATOM 62 CG GLU A 5 9.953 -8.759 3.665 1.00 0.00 C ATOM 63 CD GLU A 5 10.169 -9.632 2.415 1.00 0.00 C ATOM 64 OE1 GLU A 5 9.295 -9.640 1.513 1.00 0.00 O ATOM 65 OE2 GLU A 5 11.201 -10.337 2.352 1.00 0.00 O ATOM 0 H GLU A 5 9.503 -7.828 0.999 1.00 0.00 H new ATOM 0 HA GLU A 5 9.173 -5.517 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.934 -7.010 4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.180 -7.749 2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.926 -8.486 4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.444 -9.354 4.423 1.00 0.00 H new ATOM 72 N ARG A 6 11.263 -5.127 4.009 1.00 0.00 N ATOM 73 CA ARG A 6 12.518 -4.615 4.550 1.00 0.00 C ATOM 74 C ARG A 6 13.349 -5.758 5.135 1.00 0.00 C ATOM 75 O ARG A 6 14.534 -5.871 4.827 1.00 0.00 O ATOM 76 CB ARG A 6 12.178 -3.497 5.559 1.00 0.00 C ATOM 77 CG ARG A 6 13.365 -2.957 6.372 1.00 0.00 C ATOM 78 CD ARG A 6 13.476 -3.657 7.733 1.00 0.00 C ATOM 79 NE ARG A 6 14.680 -3.224 8.462 1.00 0.00 N ATOM 80 CZ ARG A 6 15.192 -3.789 9.564 1.00 0.00 C ATOM 81 NH1 ARG A 6 14.590 -4.811 10.169 1.00 0.00 N ATOM 82 NH2 ARG A 6 16.330 -3.319 10.066 1.00 0.00 N ATOM 0 H ARG A 6 10.436 -4.749 4.472 1.00 0.00 H new ATOM 0 HA ARG A 6 13.145 -4.178 3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.724 -2.668 5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 6 11.426 -3.874 6.253 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.288 -3.101 5.811 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.247 -1.884 6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.590 -3.440 8.329 1.00 0.00 H new ATOM 0 HD3 ARG A 6 13.505 -4.737 7.587 1.00 0.00 H new ATOM 0 HE ARG A 6 15.174 -2.412 8.091 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.717 -5.183 9.795 1.00 0.00 H new ATOM 0 HH12 ARG A 6 15.002 -5.222 11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 6 16.803 -2.537 9.613 1.00 0.00 H new ATOM 0 HH22 ARG A 6 16.730 -3.740 10.904 1.00 0.00 H new ATOM 96 N ASP A 7 12.725 -6.598 5.962 1.00 0.00 N ATOM 97 CA ASP A 7 13.291 -7.786 6.594 1.00 0.00 C ATOM 98 C ASP A 7 12.118 -8.529 7.244 1.00 0.00 C ATOM 99 O ASP A 7 10.997 -8.010 7.280 1.00 0.00 O ATOM 100 CB ASP A 7 14.348 -7.399 7.653 1.00 0.00 C ATOM 101 CG ASP A 7 15.042 -8.602 8.315 1.00 0.00 C ATOM 102 OD1 ASP A 7 15.209 -9.653 7.658 1.00 0.00 O ATOM 103 OD2 ASP A 7 15.425 -8.498 9.501 1.00 0.00 O ATOM 0 H ASP A 7 11.749 -6.456 6.223 1.00 0.00 H new ATOM 0 HA ASP A 7 13.799 -8.414 5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 7 15.104 -6.770 7.183 1.00 0.00 H new ATOM 0 HB3 ASP A 7 13.869 -6.798 8.426 1.00 0.00 H new ATOM 108 N GLU A 8 12.362 -9.714 7.803 1.00 0.00 N ATOM 109 CA GLU A 8 11.380 -10.533 8.511 1.00 0.00 C ATOM 110 C GLU A 8 10.723 -9.812 9.698 1.00 0.00 C ATOM 111 O GLU A 8 9.719 -10.302 10.212 1.00 0.00 O ATOM 112 CB GLU A 8 12.027 -11.850 8.971 1.00 0.00 C ATOM 113 CG GLU A 8 12.446 -12.741 7.792 1.00 0.00 C ATOM 114 CD GLU A 8 13.012 -14.088 8.277 1.00 0.00 C ATOM 115 OE1 GLU A 8 14.232 -14.187 8.541 1.00 0.00 O ATOM 116 OE2 GLU A 8 12.246 -15.074 8.380 1.00 0.00 O ATOM 0 H GLU A 8 13.285 -10.146 7.774 1.00 0.00 H new ATOM 0 HA GLU A 8 10.578 -10.742 7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.901 -11.628 9.583 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.326 -12.395 9.603 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.587 -12.918 7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.196 -12.225 7.193 1.00 0.00 H new ATOM 123 N THR A 9 11.225 -8.652 10.132 1.00 0.00 N ATOM 124 CA THR A 9 10.556 -7.794 11.096 1.00 0.00 C ATOM 125 C THR A 9 9.132 -7.463 10.637 1.00 0.00 C ATOM 126 O THR A 9 8.184 -7.523 11.422 1.00 0.00 O ATOM 127 CB THR A 9 11.391 -6.510 11.235 1.00 0.00 C ATOM 128 OG1 THR A 9 11.974 -6.096 10.001 1.00 0.00 O ATOM 129 CG2 THR A 9 12.531 -6.704 12.236 1.00 0.00 C ATOM 0 H THR A 9 12.121 -8.283 9.815 1.00 0.00 H new ATOM 0 HA THR A 9 10.475 -8.302 12.057 1.00 0.00 H new ATOM 0 HB THR A 9 10.695 -5.745 11.578 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.780 -5.147 9.849 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.106 -5.781 12.316 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.119 -6.960 13.212 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.182 -7.509 11.895 1.00 0.00 H new ATOM 137 N ARG A 10 8.976 -7.162 9.344 1.00 0.00 N ATOM 138 CA ARG A 10 7.676 -6.884 8.738 1.00 0.00 C ATOM 139 C ARG A 10 6.767 -8.098 8.897 1.00 0.00 C ATOM 140 O ARG A 10 5.617 -7.943 9.296 1.00 0.00 O ATOM 141 CB ARG A 10 7.859 -6.512 7.253 1.00 0.00 C ATOM 142 CG ARG A 10 8.581 -5.166 7.044 1.00 0.00 C ATOM 143 CD ARG A 10 7.636 -3.976 7.252 1.00 0.00 C ATOM 144 NE ARG A 10 8.348 -2.684 7.294 1.00 0.00 N ATOM 145 CZ ARG A 10 7.769 -1.479 7.173 1.00 0.00 C ATOM 146 NH1 ARG A 10 6.478 -1.362 6.886 1.00 0.00 N ATOM 147 NH2 ARG A 10 8.482 -0.373 7.340 1.00 0.00 N ATOM 0 H ARG A 10 9.754 -7.105 8.687 1.00 0.00 H new ATOM 0 HA ARG A 10 7.208 -6.038 9.242 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.424 -7.300 6.756 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.881 -6.470 6.773 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.418 -5.091 7.738 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.997 -5.129 6.037 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.902 -3.955 6.447 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.085 -4.113 8.183 1.00 0.00 H new ATOM 0 HE ARG A 10 9.359 -2.709 7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.907 -2.197 6.753 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.057 -0.437 6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.476 -0.435 7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.037 0.540 7.247 1.00 0.00 H new ATOM 161 N GLU A 11 7.282 -9.304 8.654 1.00 0.00 N ATOM 162 CA GLU A 11 6.491 -10.524 8.770 1.00 0.00 C ATOM 163 C GLU A 11 6.052 -10.753 10.216 1.00 0.00 C ATOM 164 O GLU A 11 4.905 -11.135 10.446 1.00 0.00 O ATOM 165 CB GLU A 11 7.264 -11.742 8.237 1.00 0.00 C ATOM 166 CG GLU A 11 7.764 -11.564 6.797 1.00 0.00 C ATOM 167 CD GLU A 11 6.670 -11.058 5.848 1.00 0.00 C ATOM 168 OE1 GLU A 11 5.671 -11.771 5.608 1.00 0.00 O ATOM 169 OE2 GLU A 11 6.822 -9.949 5.295 1.00 0.00 O ATOM 0 H GLU A 11 8.250 -9.459 8.374 1.00 0.00 H new ATOM 0 HA GLU A 11 5.598 -10.400 8.157 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.116 -11.936 8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.621 -12.621 8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.598 -10.862 6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.146 -12.516 6.429 1.00 0.00 H new ATOM 176 N HIS A 12 6.922 -10.472 11.193 1.00 0.00 N ATOM 177 CA HIS A 12 6.561 -10.576 12.603 1.00 0.00 C ATOM 178 C HIS A 12 5.452 -9.579 12.947 1.00 0.00 C ATOM 179 O HIS A 12 4.495 -9.957 13.623 1.00 0.00 O ATOM 180 CB HIS A 12 7.784 -10.375 13.510 1.00 0.00 C ATOM 181 CG HIS A 12 8.732 -11.551 13.516 1.00 0.00 C ATOM 182 ND1 HIS A 12 9.605 -11.908 12.513 1.00 0.00 N ATOM 183 CD2 HIS A 12 8.884 -12.469 14.522 1.00 0.00 C ATOM 184 CE1 HIS A 12 10.266 -13.010 12.902 1.00 0.00 C ATOM 185 NE2 HIS A 12 9.862 -13.395 14.128 1.00 0.00 N ATOM 0 H HIS A 12 7.882 -10.170 11.028 1.00 0.00 H new ATOM 0 HA HIS A 12 6.184 -11.583 12.781 1.00 0.00 H new ATOM 0 HB2 HIS A 12 8.324 -9.485 13.186 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.444 -10.188 14.529 1.00 0.00 H new ATOM 0 HD1 HIS A 12 9.728 -11.419 11.626 1.00 0.00 H new ATOM 0 HD2 HIS A 12 8.344 -12.478 15.457 1.00 0.00 H new ATOM 0 HE1 HIS A 12 11.017 -13.517 12.314 1.00 0.00 H new ATOM 193 N ARG A 13 5.529 -8.328 12.476 1.00 0.00 N ATOM 194 CA ARG A 13 4.479 -7.336 12.724 1.00 0.00 C ATOM 195 C ARG A 13 3.162 -7.770 12.084 1.00 0.00 C ATOM 196 O ARG A 13 2.123 -7.690 12.736 1.00 0.00 O ATOM 197 CB ARG A 13 4.906 -5.951 12.202 1.00 0.00 C ATOM 198 CG ARG A 13 6.045 -5.300 13.005 1.00 0.00 C ATOM 199 CD ARG A 13 5.592 -4.849 14.399 1.00 0.00 C ATOM 200 NE ARG A 13 6.686 -4.208 15.146 1.00 0.00 N ATOM 201 CZ ARG A 13 6.572 -3.661 16.364 1.00 0.00 C ATOM 202 NH1 ARG A 13 5.403 -3.650 16.998 1.00 0.00 N ATOM 203 NH2 ARG A 13 7.639 -3.122 16.945 1.00 0.00 N ATOM 0 H ARG A 13 6.310 -7.980 11.920 1.00 0.00 H new ATOM 0 HA ARG A 13 4.327 -7.264 13.801 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.218 -6.047 11.162 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.041 -5.287 12.215 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.867 -6.009 13.104 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.429 -4.441 12.455 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.759 -4.152 14.303 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.225 -5.709 14.958 1.00 0.00 H new ATOM 0 HE ARG A 13 7.604 -4.178 14.702 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.580 -4.061 16.557 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.329 -3.231 17.925 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.538 -3.126 16.464 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.558 -2.704 17.872 1.00 0.00 H new ATOM 217 N ILE A 14 3.200 -8.256 10.841 1.00 0.00 N ATOM 218 CA ILE A 14 2.024 -8.766 10.141 1.00 0.00 C ATOM 219 C ILE A 14 1.387 -9.866 10.998 1.00 0.00 C ATOM 220 O ILE A 14 0.202 -9.789 11.332 1.00 0.00 O ATOM 221 CB ILE A 14 2.432 -9.223 8.715 1.00 0.00 C ATOM 222 CG1 ILE A 14 2.739 -7.996 7.825 1.00 0.00 C ATOM 223 CG2 ILE A 14 1.353 -10.094 8.047 1.00 0.00 C ATOM 224 CD1 ILE A 14 3.527 -8.327 6.551 1.00 0.00 C ATOM 0 H ILE A 14 4.057 -8.306 10.289 1.00 0.00 H new ATOM 0 HA ILE A 14 1.265 -7.996 10.002 1.00 0.00 H new ATOM 0 HB ILE A 14 3.328 -9.834 8.821 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.799 -7.520 7.545 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.303 -7.269 8.409 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.687 -10.387 7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.181 -10.986 8.650 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.426 -9.526 7.966 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.701 -7.413 5.983 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.484 -8.774 6.821 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.957 -9.029 5.943 1.00 0.00 H new ATOM 236 N GLU A 15 2.177 -10.864 11.392 1.00 0.00 N ATOM 237 CA GLU A 15 1.686 -12.013 12.132 1.00 0.00 C ATOM 238 C GLU A 15 1.101 -11.596 13.486 1.00 0.00 C ATOM 239 O GLU A 15 0.018 -12.051 13.841 1.00 0.00 O ATOM 240 CB GLU A 15 2.837 -13.021 12.291 1.00 0.00 C ATOM 241 CG GLU A 15 2.418 -14.274 13.070 1.00 0.00 C ATOM 242 CD GLU A 15 3.540 -15.328 13.087 1.00 0.00 C ATOM 243 OE1 GLU A 15 4.379 -15.317 14.016 1.00 0.00 O ATOM 244 OE2 GLU A 15 3.580 -16.196 12.185 1.00 0.00 O ATOM 0 H GLU A 15 3.179 -10.893 11.203 1.00 0.00 H new ATOM 0 HA GLU A 15 0.872 -12.484 11.581 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.198 -13.314 11.305 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.669 -12.539 12.805 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.160 -13.999 14.093 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.522 -14.702 12.619 1.00 0.00 H new ATOM 251 N THR A 16 1.786 -10.733 14.238 1.00 0.00 N ATOM 252 CA THR A 16 1.414 -10.453 15.623 1.00 0.00 C ATOM 253 C THR A 16 0.341 -9.363 15.759 1.00 0.00 C ATOM 254 O THR A 16 -0.349 -9.339 16.781 1.00 0.00 O ATOM 255 CB THR A 16 2.669 -10.129 16.460 1.00 0.00 C ATOM 256 OG1 THR A 16 3.443 -9.090 15.894 1.00 0.00 O ATOM 257 CG2 THR A 16 3.568 -11.360 16.633 1.00 0.00 C ATOM 0 H THR A 16 2.602 -10.216 13.910 1.00 0.00 H new ATOM 0 HA THR A 16 0.954 -11.359 16.017 1.00 0.00 H new ATOM 0 HB THR A 16 2.295 -9.804 17.431 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.977 -9.446 15.153 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.441 -11.092 17.228 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.012 -12.148 17.140 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.891 -11.715 15.654 1.00 0.00 H new ATOM 265 N GLU A 17 0.158 -8.490 14.758 1.00 0.00 N ATOM 266 CA GLU A 17 -0.685 -7.298 14.902 1.00 0.00 C ATOM 267 C GLU A 17 -1.696 -7.113 13.764 1.00 0.00 C ATOM 268 O GLU A 17 -2.559 -6.240 13.884 1.00 0.00 O ATOM 269 CB GLU A 17 0.189 -6.037 15.068 1.00 0.00 C ATOM 270 CG GLU A 17 1.041 -6.062 16.345 1.00 0.00 C ATOM 271 CD GLU A 17 1.769 -4.726 16.568 1.00 0.00 C ATOM 272 OE1 GLU A 17 1.176 -3.799 17.168 1.00 0.00 O ATOM 273 OE2 GLU A 17 2.951 -4.603 16.177 1.00 0.00 O ATOM 0 H GLU A 17 0.585 -8.589 13.837 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.278 -7.452 15.804 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.844 -5.939 14.202 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.453 -5.156 15.083 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.404 -6.277 17.203 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.772 -6.868 16.280 1.00 0.00 H new ATOM 280 N ILE A 18 -1.655 -7.922 12.695 1.00 0.00 N ATOM 281 CA ILE A 18 -2.540 -7.740 11.540 1.00 0.00 C ATOM 282 C ILE A 18 -3.388 -8.996 11.317 1.00 0.00 C ATOM 283 O ILE A 18 -4.595 -8.866 11.119 1.00 0.00 O ATOM 284 CB ILE A 18 -1.744 -7.308 10.278 1.00 0.00 C ATOM 285 CG1 ILE A 18 -0.762 -6.153 10.602 1.00 0.00 C ATOM 286 CG2 ILE A 18 -2.712 -6.890 9.158 1.00 0.00 C ATOM 287 CD1 ILE A 18 -0.063 -5.525 9.390 1.00 0.00 C ATOM 0 H ILE A 18 -1.015 -8.711 12.609 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.230 -6.923 11.749 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.157 -8.161 9.939 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.308 -5.372 11.130 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.000 -6.527 11.286 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.143 -6.589 8.279 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.357 -7.730 8.903 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.323 -6.054 9.498 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.601 -4.728 9.725 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.518 -6.287 8.870 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.810 -5.113 8.712 1.00 0.00 H new ATOM 299 N ILE A 19 -2.810 -10.203 11.398 1.00 0.00 N ATOM 300 CA ILE A 19 -3.494 -11.434 10.986 1.00 0.00 C ATOM 301 C ILE A 19 -3.368 -12.580 12.012 1.00 0.00 C ATOM 302 O ILE A 19 -3.469 -13.747 11.643 1.00 0.00 O ATOM 303 CB ILE A 19 -3.018 -11.829 9.576 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.493 -12.022 9.587 1.00 0.00 C ATOM 305 CG2 ILE A 19 -3.454 -10.807 8.503 1.00 0.00 C ATOM 306 CD1 ILE A 19 -1.060 -12.969 8.486 1.00 0.00 C ATOM 0 H ILE A 19 -1.864 -10.352 11.748 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.565 -11.234 10.949 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.494 -12.771 9.305 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.000 -11.059 9.459 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.179 -12.414 10.554 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.095 -11.130 7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.542 -10.740 8.485 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.034 -9.829 8.740 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.023 -13.089 8.515 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.537 -13.938 8.631 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.354 -12.561 7.519 1.00 0.00 H new ATOM 318 N VAL A 20 -3.139 -12.273 13.292 1.00 0.00 N ATOM 319 CA VAL A 20 -2.814 -13.258 14.333 1.00 0.00 C ATOM 320 C VAL A 20 -3.761 -14.471 14.392 1.00 0.00 C ATOM 321 O VAL A 20 -3.296 -15.595 14.593 1.00 0.00 O ATOM 322 CB VAL A 20 -2.681 -12.534 15.692 1.00 0.00 C ATOM 323 CG1 VAL A 20 -4.028 -12.033 16.239 1.00 0.00 C ATOM 324 CG2 VAL A 20 -2.004 -13.424 16.742 1.00 0.00 C ATOM 0 H VAL A 20 -3.174 -11.316 13.642 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.857 -13.706 14.066 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.054 -11.664 15.498 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.869 -11.534 17.195 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.470 -11.331 15.532 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.701 -12.879 16.379 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.928 -12.881 17.684 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.596 -14.327 16.890 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.006 -13.697 16.399 1.00 0.00 H new ATOM 334 N ASP A 21 -5.067 -14.267 14.185 1.00 0.00 N ATOM 335 CA ASP A 21 -6.094 -15.319 14.257 1.00 0.00 C ATOM 336 C ASP A 21 -6.740 -15.558 12.874 1.00 0.00 C ATOM 337 O ASP A 21 -7.709 -16.325 12.712 1.00 0.00 O ATOM 338 CB ASP A 21 -7.133 -14.916 15.315 1.00 0.00 C ATOM 339 CG ASP A 21 -8.168 -16.022 15.586 1.00 0.00 C ATOM 340 OD1 ASP A 21 -7.775 -17.153 15.952 1.00 0.00 O ATOM 341 OD2 ASP A 21 -9.387 -15.750 15.496 1.00 0.00 O ATOM 0 H ASP A 21 -5.450 -13.349 13.958 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.638 -16.264 14.551 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.621 -14.668 16.245 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.649 -14.014 14.986 1.00 0.00 H new ATOM 346 N ALA A 22 -6.183 -14.870 11.869 1.00 0.00 N ATOM 347 CA ALA A 22 -6.725 -14.747 10.538 1.00 0.00 C ATOM 348 C ALA A 22 -5.928 -15.583 9.547 1.00 0.00 C ATOM 349 O ALA A 22 -4.723 -15.409 9.348 1.00 0.00 O ATOM 350 CB ALA A 22 -6.741 -13.286 10.102 1.00 0.00 C ATOM 0 H ALA A 22 -5.303 -14.367 11.982 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.749 -15.120 10.555 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.153 -13.211 9.096 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.357 -12.708 10.790 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.724 -12.893 10.108 1.00 0.00 H new ATOM 356 N GLU A 23 -6.663 -16.442 8.864 1.00 0.00 N ATOM 357 CA GLU A 23 -6.166 -17.324 7.808 1.00 0.00 C ATOM 358 C GLU A 23 -7.233 -17.723 6.800 1.00 0.00 C ATOM 359 O GLU A 23 -6.912 -18.137 5.685 1.00 0.00 O ATOM 360 CB GLU A 23 -5.430 -18.527 8.400 1.00 0.00 C ATOM 361 CG GLU A 23 -6.208 -19.815 8.709 1.00 0.00 C ATOM 362 CD GLU A 23 -7.102 -19.738 9.953 1.00 0.00 C ATOM 363 OE1 GLU A 23 -6.931 -18.856 10.820 1.00 0.00 O ATOM 364 OE2 GLU A 23 -8.027 -20.564 10.109 1.00 0.00 O ATOM 0 H GLU A 23 -7.663 -16.553 9.032 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.442 -16.748 7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.626 -18.789 7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.961 -18.199 9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.827 -20.065 7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.497 -20.631 8.838 1.00 0.00 H new ATOM 371 N ASP A 24 -8.498 -17.598 7.187 1.00 0.00 N ATOM 372 CA ASP A 24 -9.613 -17.708 6.273 1.00 0.00 C ATOM 373 C ASP A 24 -9.545 -16.389 5.495 1.00 0.00 C ATOM 374 O ASP A 24 -9.258 -15.335 6.076 1.00 0.00 O ATOM 375 CB ASP A 24 -10.933 -17.885 7.037 1.00 0.00 C ATOM 376 CG ASP A 24 -10.959 -19.122 7.966 1.00 0.00 C ATOM 377 OD1 ASP A 24 -11.265 -20.230 7.466 1.00 0.00 O ATOM 378 OD2 ASP A 24 -10.705 -19.005 9.195 1.00 0.00 O ATOM 0 H ASP A 24 -8.773 -17.416 8.152 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.566 -18.576 5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.119 -16.991 7.633 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.749 -17.965 6.319 1.00 0.00 H new ATOM 383 N LYS A 25 -9.773 -16.418 4.182 1.00 0.00 N ATOM 384 CA LYS A 25 -9.498 -15.265 3.320 1.00 0.00 C ATOM 385 C LYS A 25 -10.209 -13.981 3.746 1.00 0.00 C ATOM 386 O LYS A 25 -9.631 -12.898 3.642 1.00 0.00 O ATOM 387 CB LYS A 25 -9.801 -15.651 1.867 1.00 0.00 C ATOM 388 CG LYS A 25 -11.307 -15.815 1.588 1.00 0.00 C ATOM 389 CD LYS A 25 -11.618 -16.761 0.419 1.00 0.00 C ATOM 390 CE LYS A 25 -10.727 -16.484 -0.798 1.00 0.00 C ATOM 391 NZ LYS A 25 -11.071 -17.342 -1.959 1.00 0.00 N ATOM 0 H LYS A 25 -10.148 -17.229 3.690 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.441 -15.019 3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.395 -14.888 1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.290 -16.584 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.796 -16.190 2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.737 -14.836 1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.480 -17.793 0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.665 -16.653 0.134 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.822 -15.436 -1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.684 -16.647 -0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.441 -17.117 -2.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.955 -18.342 -1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.058 -17.169 -2.238 1.00 0.00 H new ATOM 405 N GLU A 26 -11.439 -14.101 4.248 1.00 0.00 N ATOM 406 CA GLU A 26 -12.231 -12.956 4.672 1.00 0.00 C ATOM 407 C GLU A 26 -11.601 -12.345 5.922 1.00 0.00 C ATOM 408 O GLU A 26 -11.544 -11.123 6.046 1.00 0.00 O ATOM 409 CB GLU A 26 -13.682 -13.382 4.948 1.00 0.00 C ATOM 410 CG GLU A 26 -14.395 -13.896 3.687 1.00 0.00 C ATOM 411 CD GLU A 26 -15.862 -14.259 3.977 1.00 0.00 C ATOM 412 OE1 GLU A 26 -16.135 -15.385 4.454 1.00 0.00 O ATOM 413 OE2 GLU A 26 -16.765 -13.433 3.711 1.00 0.00 O ATOM 0 H GLU A 26 -11.910 -14.997 4.370 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.245 -12.210 3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.690 -14.162 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.235 -12.535 5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.355 -13.134 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.871 -14.772 3.303 1.00 0.00 H new ATOM 420 N GLU A 27 -11.080 -13.177 6.831 1.00 0.00 N ATOM 421 CA GLU A 27 -10.445 -12.695 8.046 1.00 0.00 C ATOM 422 C GLU A 27 -9.161 -11.975 7.694 1.00 0.00 C ATOM 423 O GLU A 27 -8.910 -10.908 8.243 1.00 0.00 O ATOM 424 CB GLU A 27 -10.050 -13.837 8.976 1.00 0.00 C ATOM 425 CG GLU A 27 -11.190 -14.756 9.389 1.00 0.00 C ATOM 426 CD GLU A 27 -10.619 -15.924 10.192 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.527 -16.449 9.856 1.00 0.00 O ATOM 428 OE2 GLU A 27 -11.240 -16.337 11.199 1.00 0.00 O ATOM 0 H GLU A 27 -11.090 -14.193 6.740 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.166 -12.044 8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.281 -14.435 8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.601 -13.414 9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.918 -14.208 9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.714 -15.125 8.508 1.00 0.00 H new ATOM 435 N ARG A 28 -8.331 -12.546 6.807 1.00 0.00 N ATOM 436 CA ARG A 28 -7.082 -11.869 6.453 1.00 0.00 C ATOM 437 C ARG A 28 -7.379 -10.526 5.802 1.00 0.00 C ATOM 438 O ARG A 28 -6.763 -9.535 6.195 1.00 0.00 O ATOM 439 CB ARG A 28 -6.164 -12.751 5.595 1.00 0.00 C ATOM 440 CG ARG A 28 -5.444 -13.763 6.494 1.00 0.00 C ATOM 441 CD ARG A 28 -4.355 -14.552 5.764 1.00 0.00 C ATOM 442 NE ARG A 28 -3.523 -15.287 6.730 1.00 0.00 N ATOM 443 CZ ARG A 28 -2.574 -16.185 6.444 1.00 0.00 C ATOM 444 NH1 ARG A 28 -2.282 -16.506 5.186 1.00 0.00 N ATOM 445 NH2 ARG A 28 -1.927 -16.770 7.446 1.00 0.00 N ATOM 0 H ARG A 28 -8.494 -13.438 6.340 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.527 -11.679 7.371 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.748 -13.273 4.836 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.436 -12.133 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.998 -13.236 7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.175 -14.460 6.904 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.811 -15.250 5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.733 -13.873 5.181 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.687 -15.092 7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.786 -16.064 4.417 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.554 -17.194 4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.158 -16.531 8.410 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.200 -17.458 7.251 1.00 0.00 H new ATOM 459 N ALA A 29 -8.350 -10.459 4.889 1.00 0.00 N ATOM 460 CA ALA A 29 -8.746 -9.203 4.276 1.00 0.00 C ATOM 461 C ALA A 29 -9.171 -8.186 5.343 1.00 0.00 C ATOM 462 O ALA A 29 -8.709 -7.046 5.320 1.00 0.00 O ATOM 463 CB ALA A 29 -9.865 -9.470 3.269 1.00 0.00 C ATOM 0 H ALA A 29 -8.876 -11.269 4.560 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.897 -8.769 3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.168 -8.532 2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.508 -10.156 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.719 -9.913 3.782 1.00 0.00 H new ATOM 469 N MET A 30 -10.003 -8.596 6.306 1.00 0.00 N ATOM 470 CA MET A 30 -10.451 -7.719 7.382 1.00 0.00 C ATOM 471 C MET A 30 -9.315 -7.315 8.321 1.00 0.00 C ATOM 472 O MET A 30 -9.248 -6.151 8.702 1.00 0.00 O ATOM 473 CB MET A 30 -11.614 -8.358 8.148 1.00 0.00 C ATOM 474 CG MET A 30 -12.906 -8.407 7.318 1.00 0.00 C ATOM 475 SD MET A 30 -13.606 -6.803 6.825 1.00 0.00 S ATOM 476 CE MET A 30 -12.863 -6.545 5.185 1.00 0.00 C ATOM 0 H MET A 30 -10.381 -9.542 6.358 1.00 0.00 H new ATOM 0 HA MET A 30 -10.807 -6.797 6.922 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.338 -9.370 8.445 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.795 -7.795 9.064 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.712 -8.988 6.416 1.00 0.00 H new ATOM 0 HG3 MET A 30 -13.660 -8.948 7.890 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.620 -6.167 4.498 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.050 -5.823 5.263 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.473 -7.491 4.809 1.00 0.00 H new ATOM 486 N GLY A 31 -8.396 -8.219 8.661 1.00 0.00 N ATOM 487 CA GLY A 31 -7.267 -7.920 9.527 1.00 0.00 C ATOM 488 C GLY A 31 -6.393 -6.836 8.905 1.00 0.00 C ATOM 489 O GLY A 31 -6.082 -5.837 9.560 1.00 0.00 O ATOM 0 H GLY A 31 -8.419 -9.186 8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.626 -7.592 10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.677 -8.822 9.691 1.00 0.00 H new ATOM 493 N TRP A 32 -6.074 -6.991 7.614 1.00 0.00 N ATOM 494 CA TRP A 32 -5.369 -5.971 6.855 1.00 0.00 C ATOM 495 C TRP A 32 -6.158 -4.662 6.849 1.00 0.00 C ATOM 496 O TRP A 32 -5.596 -3.626 7.195 1.00 0.00 O ATOM 497 CB TRP A 32 -5.071 -6.468 5.434 1.00 0.00 C ATOM 498 CG TRP A 32 -3.833 -7.305 5.342 1.00 0.00 C ATOM 499 CD1 TRP A 32 -3.766 -8.652 5.267 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.450 -6.847 5.340 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.447 -9.056 5.238 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.587 -7.980 5.303 1.00 0.00 C ATOM 503 CE3 TRP A 32 -1.844 -5.576 5.368 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.190 -7.852 5.319 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -0.446 -5.434 5.357 1.00 0.00 C ATOM 506 CH2 TRP A 32 0.382 -6.569 5.333 1.00 0.00 C ATOM 0 H TRP A 32 -6.300 -7.827 7.075 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.413 -5.771 7.338 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.921 -7.049 5.075 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.969 -5.609 4.771 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.618 -9.314 5.235 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.146 -10.029 5.176 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.466 -4.693 5.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.439 -8.730 5.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.006 -4.448 5.367 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.456 -6.455 5.325 1.00 0.00 H new ATOM 517 N TYR A 33 -7.448 -4.702 6.509 1.00 0.00 N ATOM 518 CA TYR A 33 -8.295 -3.519 6.397 1.00 0.00 C ATOM 519 C TYR A 33 -8.335 -2.728 7.708 1.00 0.00 C ATOM 520 O TYR A 33 -8.140 -1.511 7.690 1.00 0.00 O ATOM 521 CB TYR A 33 -9.695 -3.965 5.946 1.00 0.00 C ATOM 522 CG TYR A 33 -10.818 -2.958 6.113 1.00 0.00 C ATOM 523 CD1 TYR A 33 -10.721 -1.669 5.560 1.00 0.00 C ATOM 524 CD2 TYR A 33 -11.967 -3.319 6.840 1.00 0.00 C ATOM 525 CE1 TYR A 33 -11.760 -0.739 5.746 1.00 0.00 C ATOM 526 CE2 TYR A 33 -13.000 -2.391 7.048 1.00 0.00 C ATOM 527 CZ TYR A 33 -12.904 -1.093 6.497 1.00 0.00 C ATOM 528 OH TYR A 33 -13.892 -0.175 6.699 1.00 0.00 O ATOM 0 H TYR A 33 -7.938 -5.572 6.301 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.880 -2.839 5.653 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.641 -4.243 4.893 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.960 -4.865 6.500 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.846 -1.392 4.991 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -12.055 -4.318 7.241 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -11.683 0.248 5.314 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.867 -2.669 7.629 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.608 -0.577 7.234 1.00 0.00 H new ATOM 538 N TYR A 34 -8.546 -3.397 8.845 1.00 0.00 N ATOM 539 CA TYR A 34 -8.678 -2.733 10.133 1.00 0.00 C ATOM 540 C TYR A 34 -7.359 -2.064 10.527 1.00 0.00 C ATOM 541 O TYR A 34 -7.362 -0.913 10.964 1.00 0.00 O ATOM 542 CB TYR A 34 -9.095 -3.745 11.214 1.00 0.00 C ATOM 543 CG TYR A 34 -10.420 -4.485 11.051 1.00 0.00 C ATOM 544 CD1 TYR A 34 -11.426 -4.063 10.153 1.00 0.00 C ATOM 545 CD2 TYR A 34 -10.642 -5.628 11.846 1.00 0.00 C ATOM 546 CE1 TYR A 34 -12.642 -4.768 10.067 1.00 0.00 C ATOM 547 CE2 TYR A 34 -11.850 -6.340 11.760 1.00 0.00 C ATOM 548 CZ TYR A 34 -12.860 -5.910 10.871 1.00 0.00 C ATOM 549 OH TYR A 34 -14.030 -6.605 10.797 1.00 0.00 O ATOM 0 H TYR A 34 -8.629 -4.412 8.892 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.449 -1.967 10.048 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.306 -4.493 11.289 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.126 -3.217 12.167 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.262 -3.196 9.530 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.874 -5.960 12.529 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.410 -4.435 9.385 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.006 -7.215 12.373 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.002 -7.360 11.421 1.00 0.00 H new ATOM 559 N TYR A 35 -6.229 -2.762 10.371 1.00 0.00 N ATOM 560 CA TYR A 35 -4.929 -2.223 10.749 1.00 0.00 C ATOM 561 C TYR A 35 -4.513 -1.092 9.808 1.00 0.00 C ATOM 562 O TYR A 35 -3.946 -0.098 10.270 1.00 0.00 O ATOM 563 CB TYR A 35 -3.898 -3.356 10.722 1.00 0.00 C ATOM 564 CG TYR A 35 -2.517 -2.945 11.194 1.00 0.00 C ATOM 565 CD1 TYR A 35 -2.180 -3.044 12.557 1.00 0.00 C ATOM 566 CD2 TYR A 35 -1.564 -2.478 10.268 1.00 0.00 C ATOM 567 CE1 TYR A 35 -0.894 -2.685 12.996 1.00 0.00 C ATOM 568 CE2 TYR A 35 -0.276 -2.114 10.699 1.00 0.00 C ATOM 569 CZ TYR A 35 0.066 -2.218 12.068 1.00 0.00 C ATOM 570 OH TYR A 35 1.312 -1.877 12.504 1.00 0.00 O ATOM 0 H TYR A 35 -6.194 -3.705 9.983 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.989 -1.807 11.755 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.256 -4.174 11.347 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.823 -3.741 9.705 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.912 -3.397 13.268 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.824 -2.399 9.223 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.639 -2.766 14.042 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.451 -1.755 9.986 1.00 0.00 H new ATOM 0 HH TYR A 35 1.854 -1.577 11.744 1.00 0.00 H new ATOM 580 N LEU A 36 -4.803 -1.207 8.506 1.00 0.00 N ATOM 581 CA LEU A 36 -4.515 -0.154 7.548 1.00 0.00 C ATOM 582 C LEU A 36 -5.300 1.078 7.926 1.00 0.00 C ATOM 583 O LEU A 36 -4.657 2.109 8.098 1.00 0.00 O ATOM 584 CB LEU A 36 -4.828 -0.565 6.102 1.00 0.00 C ATOM 585 CG LEU A 36 -3.565 -0.920 5.299 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.678 -1.975 5.969 1.00 0.00 C ATOM 587 CD2 LEU A 36 -4.006 -1.422 3.922 1.00 0.00 C ATOM 0 H LEU A 36 -5.242 -2.032 8.097 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.445 0.050 7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.501 -1.422 6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.354 0.249 5.603 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.956 -0.018 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.808 -2.171 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.349 -1.609 6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.245 -2.896 6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.128 -1.681 3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.636 -2.303 4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.568 -0.640 3.412 1.00 0.00 H new ATOM 599 N ASP A 37 -6.625 0.982 8.136 1.00 0.00 N ATOM 600 CA ASP A 37 -7.384 2.144 8.596 1.00 0.00 C ATOM 601 C ASP A 37 -6.711 2.684 9.807 1.00 0.00 C ATOM 602 O ASP A 37 -6.456 3.890 9.840 1.00 0.00 O ATOM 603 CB ASP A 37 -8.849 1.884 9.012 1.00 0.00 C ATOM 604 CG ASP A 37 -9.569 3.070 9.754 1.00 0.00 C ATOM 605 OD1 ASP A 37 -9.024 3.797 10.638 1.00 0.00 O ATOM 606 OD2 ASP A 37 -10.776 3.240 9.476 1.00 0.00 O ATOM 0 H ASP A 37 -7.175 0.134 7.997 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.410 2.814 7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.423 1.637 8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.873 1.007 9.659 1.00 0.00 H new ATOM 611 N ASP A 38 -6.400 1.839 10.798 1.00 0.00 N ATOM 612 CA ASP A 38 -6.001 2.469 12.024 1.00 0.00 C ATOM 613 C ASP A 38 -4.707 3.261 11.897 1.00 0.00 C ATOM 614 O ASP A 38 -4.613 4.350 12.466 1.00 0.00 O ATOM 615 CB ASP A 38 -6.126 1.657 13.302 1.00 0.00 C ATOM 616 CG ASP A 38 -6.295 2.686 14.456 1.00 0.00 C ATOM 617 OD1 ASP A 38 -6.851 3.801 14.226 1.00 0.00 O ATOM 618 OD2 ASP A 38 -5.885 2.379 15.598 1.00 0.00 O ATOM 0 H ASP A 38 -6.417 0.819 10.773 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.793 3.202 12.180 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.982 0.983 13.253 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.242 1.039 13.458 1.00 0.00 H new ATOM 623 N THR A 39 -3.821 2.810 11.015 1.00 0.00 N ATOM 624 CA THR A 39 -2.533 3.433 10.797 1.00 0.00 C ATOM 625 C THR A 39 -2.711 4.718 9.973 1.00 0.00 C ATOM 626 O THR A 39 -2.137 5.758 10.298 1.00 0.00 O ATOM 627 CB THR A 39 -1.634 2.408 10.091 1.00 0.00 C ATOM 628 OG1 THR A 39 -1.595 1.181 10.797 1.00 0.00 O ATOM 629 CG2 THR A 39 -0.211 2.943 10.000 1.00 0.00 C ATOM 0 H THR A 39 -3.985 1.992 10.428 1.00 0.00 H new ATOM 0 HA THR A 39 -2.065 3.724 11.738 1.00 0.00 H new ATOM 0 HB THR A 39 -2.050 2.239 9.098 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.425 0.685 10.638 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.422 2.211 9.498 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.208 3.874 9.434 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.173 3.127 11.003 1.00 0.00 H new ATOM 637 N LEU A 40 -3.519 4.652 8.913 1.00 0.00 N ATOM 638 CA LEU A 40 -3.895 5.797 8.095 1.00 0.00 C ATOM 639 C LEU A 40 -4.636 6.831 8.956 1.00 0.00 C ATOM 640 O LEU A 40 -5.467 6.492 9.812 1.00 0.00 O ATOM 641 CB LEU A 40 -4.805 5.353 6.929 1.00 0.00 C ATOM 642 CG LEU A 40 -4.218 4.307 5.954 1.00 0.00 C ATOM 643 CD1 LEU A 40 -5.348 3.651 5.151 1.00 0.00 C ATOM 644 CD2 LEU A 40 -3.202 4.865 4.959 1.00 0.00 C ATOM 0 H LEU A 40 -3.938 3.778 8.596 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.989 6.243 7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.725 4.948 7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.080 6.238 6.355 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.693 3.592 6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.928 2.915 4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.040 3.158 5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.880 4.413 4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.844 4.061 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.675 5.635 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.361 5.298 5.501 1.00 0.00 H new ATOM 656 N GLU A 41 -4.405 8.107 8.656 1.00 0.00 N ATOM 657 CA GLU A 41 -5.100 9.250 9.244 1.00 0.00 C ATOM 658 C GLU A 41 -5.679 10.102 8.104 1.00 0.00 C ATOM 659 O GLU A 41 -5.409 11.298 7.974 1.00 0.00 O ATOM 660 CB GLU A 41 -4.164 10.006 10.205 1.00 0.00 C ATOM 661 CG GLU A 41 -3.842 9.195 11.472 1.00 0.00 C ATOM 662 CD GLU A 41 -5.059 9.049 12.411 1.00 0.00 C ATOM 663 OE1 GLU A 41 -5.310 9.966 13.226 1.00 0.00 O ATOM 664 OE2 GLU A 41 -5.771 8.016 12.363 1.00 0.00 O ATOM 0 H GLU A 41 -3.702 8.384 7.971 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.941 8.937 9.863 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.236 10.249 9.687 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.627 10.951 10.490 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.489 8.205 11.185 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.028 9.679 12.011 1.00 0.00 H new ATOM 671 N PHE A 42 -6.451 9.438 7.235 1.00 0.00 N ATOM 672 CA PHE A 42 -7.274 10.063 6.201 1.00 0.00 C ATOM 673 C PHE A 42 -8.288 11.057 6.818 1.00 0.00 C ATOM 674 O PHE A 42 -8.571 10.952 8.018 1.00 0.00 O ATOM 675 CB PHE A 42 -7.942 8.942 5.381 1.00 0.00 C ATOM 676 CG PHE A 42 -8.788 7.947 6.160 1.00 0.00 C ATOM 677 CD1 PHE A 42 -10.043 8.332 6.676 1.00 0.00 C ATOM 678 CD2 PHE A 42 -8.372 6.606 6.279 1.00 0.00 C ATOM 679 CE1 PHE A 42 -10.868 7.386 7.308 1.00 0.00 C ATOM 680 CE2 PHE A 42 -9.198 5.661 6.913 1.00 0.00 C ATOM 681 CZ PHE A 42 -10.448 6.051 7.423 1.00 0.00 C ATOM 0 H PHE A 42 -6.520 8.420 7.235 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.659 10.663 5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.571 9.404 4.620 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.161 8.390 4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.371 9.357 6.585 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.415 6.303 5.882 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.826 7.686 7.706 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.872 4.636 7.008 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.086 5.324 7.903 1.00 0.00 H new ATOM 691 N PRO A 43 -8.886 11.990 6.046 1.00 0.00 N ATOM 692 CA PRO A 43 -8.696 12.230 4.612 1.00 0.00 C ATOM 693 C PRO A 43 -7.284 12.732 4.291 1.00 0.00 C ATOM 694 O PRO A 43 -6.645 13.363 5.136 1.00 0.00 O ATOM 695 CB PRO A 43 -9.753 13.276 4.236 1.00 0.00 C ATOM 696 CG PRO A 43 -9.985 14.048 5.530 1.00 0.00 C ATOM 697 CD PRO A 43 -9.829 12.961 6.590 1.00 0.00 C ATOM 0 HA PRO A 43 -8.808 11.308 4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.401 13.930 3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.671 12.807 3.881 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.259 14.850 5.661 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.974 14.505 5.559 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -9.459 13.381 7.525 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.788 12.491 6.809 1.00 0.00 H new ATOM 705 N PHE A 44 -6.794 12.457 3.077 1.00 0.00 N ATOM 706 CA PHE A 44 -5.495 12.950 2.618 1.00 0.00 C ATOM 707 C PHE A 44 -5.510 13.127 1.099 1.00 0.00 C ATOM 708 O PHE A 44 -6.367 12.567 0.421 1.00 0.00 O ATOM 709 CB PHE A 44 -4.358 12.016 3.080 1.00 0.00 C ATOM 710 CG PHE A 44 -4.370 10.583 2.564 1.00 0.00 C ATOM 711 CD1 PHE A 44 -3.959 10.308 1.249 1.00 0.00 C ATOM 712 CD2 PHE A 44 -4.715 9.509 3.406 1.00 0.00 C ATOM 713 CE1 PHE A 44 -3.908 8.994 0.762 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.673 8.187 2.924 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.268 7.926 1.602 1.00 0.00 C ATOM 0 H PHE A 44 -7.287 11.888 2.389 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.306 13.925 3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.411 12.470 2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.373 11.981 4.169 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.677 11.124 0.601 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.013 9.700 4.426 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.594 8.803 -0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.953 7.369 3.572 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.234 6.911 1.235 1.00 0.00 H new ATOM 725 N MET A 45 -4.572 13.891 0.541 1.00 0.00 N ATOM 726 CA MET A 45 -4.447 14.051 -0.906 1.00 0.00 C ATOM 727 C MET A 45 -3.565 12.929 -1.454 1.00 0.00 C ATOM 728 O MET A 45 -2.558 12.590 -0.833 1.00 0.00 O ATOM 729 CB MET A 45 -3.815 15.423 -1.184 1.00 0.00 C ATOM 730 CG MET A 45 -3.620 15.688 -2.677 1.00 0.00 C ATOM 731 SD MET A 45 -2.771 17.242 -3.044 1.00 0.00 S ATOM 732 CE MET A 45 -2.779 17.106 -4.847 1.00 0.00 C ATOM 0 H MET A 45 -3.880 14.414 1.077 1.00 0.00 H new ATOM 0 HA MET A 45 -5.421 13.997 -1.392 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.447 16.203 -0.760 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.851 15.484 -0.679 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.052 14.865 -3.110 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.595 15.695 -3.165 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.063 17.811 -5.268 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.503 16.092 -5.137 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.776 17.333 -5.225 1.00 0.00 H new ATOM 742 N GLY A 46 -3.873 12.393 -2.635 1.00 0.00 N ATOM 743 CA GLY A 46 -3.023 11.415 -3.290 1.00 0.00 C ATOM 744 C GLY A 46 -3.145 11.486 -4.803 1.00 0.00 C ATOM 745 O GLY A 46 -4.041 12.133 -5.350 1.00 0.00 O ATOM 0 H GLY A 46 -4.717 12.627 -3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.986 11.583 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.291 10.415 -2.950 1.00 0.00 H new ATOM 749 N LYS A 47 -2.219 10.821 -5.488 1.00 0.00 N ATOM 750 CA LYS A 47 -2.325 10.602 -6.924 1.00 0.00 C ATOM 751 C LYS A 47 -2.882 9.198 -7.107 1.00 0.00 C ATOM 752 O LYS A 47 -2.359 8.242 -6.529 1.00 0.00 O ATOM 753 CB LYS A 47 -0.951 10.737 -7.614 1.00 0.00 C ATOM 754 CG LYS A 47 -1.074 10.946 -9.136 1.00 0.00 C ATOM 755 CD LYS A 47 -1.480 12.383 -9.517 1.00 0.00 C ATOM 756 CE LYS A 47 -0.330 13.396 -9.400 1.00 0.00 C ATOM 757 NZ LYS A 47 0.562 13.395 -10.587 1.00 0.00 N ATOM 0 H LYS A 47 -1.381 10.422 -5.066 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.975 11.348 -7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.410 11.576 -7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.361 9.841 -7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.121 10.707 -9.608 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.811 10.249 -9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.855 12.387 -10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.302 12.702 -8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.745 14.395 -9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.257 13.171 -8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.517 13.692 -10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.603 12.437 -10.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.191 14.055 -11.300 1.00 0.00 H new ATOM 771 N TRP A 48 -3.945 9.068 -7.891 1.00 0.00 N ATOM 772 CA TRP A 48 -4.444 7.784 -8.338 1.00 0.00 C ATOM 773 C TRP A 48 -3.580 7.449 -9.551 1.00 0.00 C ATOM 774 O TRP A 48 -3.723 8.075 -10.602 1.00 0.00 O ATOM 775 CB TRP A 48 -5.940 7.898 -8.670 1.00 0.00 C ATOM 776 CG TRP A 48 -6.671 6.632 -9.010 1.00 0.00 C ATOM 777 CD1 TRP A 48 -6.132 5.399 -9.143 1.00 0.00 C ATOM 778 CD2 TRP A 48 -8.102 6.454 -9.245 1.00 0.00 C ATOM 779 NE1 TRP A 48 -7.110 4.487 -9.471 1.00 0.00 N ATOM 780 CE2 TRP A 48 -8.349 5.083 -9.555 1.00 0.00 C ATOM 781 CE3 TRP A 48 -9.222 7.315 -9.208 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -9.636 4.597 -9.833 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -10.521 6.833 -9.461 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.728 5.478 -9.779 1.00 0.00 C ATOM 0 H TRP A 48 -4.486 9.861 -8.235 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.377 6.994 -7.590 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.440 8.357 -7.817 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.047 8.585 -9.510 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.086 5.164 -9.011 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.939 3.494 -9.632 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -9.079 8.361 -8.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.785 3.558 -10.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.363 7.507 -9.411 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.725 5.116 -9.981 1.00 0.00 H new ATOM 795 N LYS A 49 -2.641 6.516 -9.399 1.00 0.00 N ATOM 796 CA LYS A 49 -1.719 6.074 -10.444 1.00 0.00 C ATOM 797 C LYS A 49 -2.334 4.822 -11.071 1.00 0.00 C ATOM 798 O LYS A 49 -1.841 3.706 -10.904 1.00 0.00 O ATOM 799 CB LYS A 49 -0.328 5.843 -9.825 1.00 0.00 C ATOM 800 CG LYS A 49 0.363 7.182 -9.514 1.00 0.00 C ATOM 801 CD LYS A 49 1.651 7.050 -8.690 1.00 0.00 C ATOM 802 CE LYS A 49 2.691 6.117 -9.328 1.00 0.00 C ATOM 803 NZ LYS A 49 4.002 6.201 -8.639 1.00 0.00 N ATOM 0 H LYS A 49 -2.496 6.030 -8.514 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.575 6.815 -11.230 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.425 5.258 -8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.288 5.262 -10.511 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.596 7.684 -10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.336 7.822 -8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.092 8.038 -8.559 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.401 6.678 -7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.327 5.090 -9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.816 6.376 -10.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.499 5.292 -8.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.575 6.952 -9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.852 6.419 -7.633 1.00 0.00 H new ATOM 817 N LYS A 50 -3.494 5.016 -11.695 1.00 0.00 N ATOM 818 CA LYS A 50 -4.349 3.944 -12.181 1.00 0.00 C ATOM 819 C LYS A 50 -3.616 3.109 -13.234 1.00 0.00 C ATOM 820 O LYS A 50 -3.250 3.634 -14.288 1.00 0.00 O ATOM 821 CB LYS A 50 -5.644 4.542 -12.749 1.00 0.00 C ATOM 822 CG LYS A 50 -6.649 3.419 -13.036 1.00 0.00 C ATOM 823 CD LYS A 50 -7.809 3.901 -13.911 1.00 0.00 C ATOM 824 CE LYS A 50 -8.599 2.724 -14.504 1.00 0.00 C ATOM 825 NZ LYS A 50 -7.770 1.890 -15.414 1.00 0.00 N ATOM 0 H LYS A 50 -3.871 5.946 -11.879 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.604 3.281 -11.354 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.070 5.252 -12.040 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.430 5.095 -13.664 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.139 2.593 -13.532 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.040 3.033 -12.095 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.477 4.526 -13.318 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.422 4.523 -14.718 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.984 2.103 -13.695 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.461 3.106 -15.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.355 1.551 -16.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.983 2.459 -15.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.391 1.076 -14.890 1.00 0.00 H new ATOM 839 N LYS A 51 -3.439 1.810 -12.991 1.00 0.00 N ATOM 840 CA LYS A 51 -2.966 0.870 -14.009 1.00 0.00 C ATOM 841 C LYS A 51 -4.074 0.758 -15.060 1.00 0.00 C ATOM 842 O LYS A 51 -5.240 0.543 -14.710 1.00 0.00 O ATOM 843 CB LYS A 51 -2.665 -0.484 -13.343 1.00 0.00 C ATOM 844 CG LYS A 51 -1.297 -0.455 -12.635 1.00 0.00 C ATOM 845 CD LYS A 51 -1.156 -1.495 -11.516 1.00 0.00 C ATOM 846 CE LYS A 51 -1.918 -0.992 -10.282 1.00 0.00 C ATOM 847 NZ LYS A 51 -1.773 -1.865 -9.095 1.00 0.00 N ATOM 0 H LYS A 51 -3.619 1.380 -12.084 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.046 1.206 -14.487 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.447 -0.721 -12.622 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.674 -1.274 -14.094 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.513 -0.621 -13.373 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.136 0.539 -12.217 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.554 -2.456 -11.841 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.105 -1.650 -11.274 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.565 0.008 -10.031 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.976 -0.904 -10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.942 -1.309 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.464 -2.641 -9.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.811 -2.259 -9.069 1.00 0.00 H new ATOM 861 N SER A 52 -3.726 0.910 -16.336 1.00 0.00 N ATOM 862 CA SER A 52 -4.673 1.054 -17.436 1.00 0.00 C ATOM 863 C SER A 52 -4.131 0.405 -18.721 1.00 0.00 C ATOM 864 O SER A 52 -3.129 -0.319 -18.694 1.00 0.00 O ATOM 865 CB SER A 52 -4.942 2.560 -17.624 1.00 0.00 C ATOM 866 OG SER A 52 -5.397 3.157 -16.418 1.00 0.00 O ATOM 0 H SER A 52 -2.753 0.937 -16.640 1.00 0.00 H new ATOM 0 HA SER A 52 -5.606 0.539 -17.207 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.030 3.056 -17.956 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.686 2.704 -18.407 1.00 0.00 H new ATOM 0 HG SER A 52 -4.640 3.281 -15.809 1.00 0.00 H new ATOM 872 N ARG A 53 -4.816 0.642 -19.853 1.00 0.00 N ATOM 873 CA ARG A 53 -4.435 0.217 -21.211 1.00 0.00 C ATOM 874 C ARG A 53 -4.433 -1.312 -21.395 1.00 0.00 C ATOM 875 O ARG A 53 -4.030 -1.808 -22.445 1.00 0.00 O ATOM 876 CB ARG A 53 -3.099 0.904 -21.576 1.00 0.00 C ATOM 877 CG ARG A 53 -2.749 0.940 -23.071 1.00 0.00 C ATOM 878 CD ARG A 53 -1.374 1.588 -23.266 1.00 0.00 C ATOM 879 NE ARG A 53 -0.917 1.491 -24.662 1.00 0.00 N ATOM 880 CZ ARG A 53 -0.333 0.423 -25.223 1.00 0.00 C ATOM 881 NH1 ARG A 53 -0.158 -0.707 -24.539 1.00 0.00 N ATOM 882 NH2 ARG A 53 0.076 0.492 -26.486 1.00 0.00 N ATOM 0 H ARG A 53 -5.694 1.161 -19.845 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.195 0.543 -21.921 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.126 1.928 -21.204 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.294 0.394 -21.047 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.746 -0.071 -23.478 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.507 1.501 -23.618 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.421 2.636 -22.971 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.648 1.105 -22.612 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.057 2.309 -25.255 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.471 -0.770 -23.570 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.289 -1.509 -24.984 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.056 1.352 -27.018 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.522 -0.315 -26.923 1.00 0.00 H new ATOM 896 N LYS A 54 -4.905 -2.078 -20.400 1.00 0.00 N ATOM 897 CA LYS A 54 -4.775 -3.540 -20.332 1.00 0.00 C ATOM 898 C LYS A 54 -3.309 -3.991 -20.482 1.00 0.00 C ATOM 899 O LYS A 54 -3.055 -5.141 -20.842 1.00 0.00 O ATOM 900 CB LYS A 54 -5.738 -4.240 -21.320 1.00 0.00 C ATOM 901 CG LYS A 54 -7.217 -3.820 -21.213 1.00 0.00 C ATOM 902 CD LYS A 54 -7.879 -4.072 -19.847 1.00 0.00 C ATOM 903 CE LYS A 54 -7.898 -5.564 -19.480 1.00 0.00 C ATOM 904 NZ LYS A 54 -8.605 -5.820 -18.200 1.00 0.00 N ATOM 0 H LYS A 54 -5.401 -1.686 -19.599 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.081 -3.858 -19.335 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.395 -4.043 -22.336 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.672 -5.317 -21.164 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.293 -2.757 -21.444 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.784 -4.353 -21.976 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.343 -3.517 -19.077 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.900 -3.690 -19.863 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.382 -6.126 -20.279 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.874 -5.931 -19.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.592 -6.839 -17.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.129 -5.305 -17.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.590 -5.495 -18.276 1.00 0.00 H new ATOM 918 N THR A 55 -2.351 -3.116 -20.162 1.00 0.00 N ATOM 919 CA THR A 55 -0.916 -3.399 -20.160 1.00 0.00 C ATOM 920 C THR A 55 -0.278 -2.883 -18.856 1.00 0.00 C ATOM 921 O THR A 55 0.942 -2.723 -18.773 1.00 0.00 O ATOM 922 CB THR A 55 -0.270 -2.846 -21.455 1.00 0.00 C ATOM 923 OG1 THR A 55 -0.743 -1.556 -21.808 1.00 0.00 O ATOM 924 CG2 THR A 55 -0.576 -3.755 -22.650 1.00 0.00 C ATOM 0 H THR A 55 -2.563 -2.157 -19.888 1.00 0.00 H new ATOM 0 HA THR A 55 -0.734 -4.474 -20.171 1.00 0.00 H new ATOM 0 HB THR A 55 0.797 -2.800 -21.238 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.227 -0.876 -21.327 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.112 -3.345 -23.547 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.180 -4.752 -22.459 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.655 -3.815 -22.795 1.00 0.00 H new ATOM 932 N SER A 56 -1.104 -2.626 -17.829 1.00 0.00 N ATOM 933 CA SER A 56 -0.719 -2.029 -16.551 1.00 0.00 C ATOM 934 C SER A 56 0.024 -0.693 -16.724 1.00 0.00 C ATOM 935 O SER A 56 0.830 -0.305 -15.876 1.00 0.00 O ATOM 936 CB SER A 56 0.041 -3.056 -15.695 1.00 0.00 C ATOM 937 OG SER A 56 -0.689 -4.273 -15.601 1.00 0.00 O ATOM 0 H SER A 56 -2.100 -2.840 -17.874 1.00 0.00 H new ATOM 0 HA SER A 56 -1.625 -1.765 -16.005 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.021 -3.247 -16.133 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.211 -2.650 -14.698 1.00 0.00 H new ATOM 0 HG SER A 56 -0.188 -4.914 -15.054 1.00 0.00 H new ATOM 943 N THR A 57 -0.240 0.016 -17.822 1.00 0.00 N ATOM 944 CA THR A 57 0.371 1.296 -18.131 1.00 0.00 C ATOM 945 C THR A 57 -0.240 2.320 -17.174 1.00 0.00 C ATOM 946 O THR A 57 -1.464 2.404 -17.063 1.00 0.00 O ATOM 947 CB THR A 57 0.089 1.616 -19.606 1.00 0.00 C ATOM 948 OG1 THR A 57 0.382 0.475 -20.398 1.00 0.00 O ATOM 949 CG2 THR A 57 0.905 2.798 -20.131 1.00 0.00 C ATOM 0 H THR A 57 -0.901 -0.297 -18.533 1.00 0.00 H new ATOM 0 HA THR A 57 1.453 1.300 -18.000 1.00 0.00 H new ATOM 0 HB THR A 57 -0.964 1.889 -19.674 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.956 0.736 -21.148 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.660 2.973 -21.179 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.670 3.689 -19.550 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.968 2.575 -20.040 1.00 0.00 H new ATOM 957 N ILE A 58 0.594 3.041 -16.428 1.00 0.00 N ATOM 958 CA ILE A 58 0.119 3.972 -15.413 1.00 0.00 C ATOM 959 C ILE A 58 -0.473 5.194 -16.117 1.00 0.00 C ATOM 960 O ILE A 58 0.121 5.746 -17.047 1.00 0.00 O ATOM 961 CB ILE A 58 1.272 4.335 -14.445 1.00 0.00 C ATOM 962 CG1 ILE A 58 1.785 3.094 -13.674 1.00 0.00 C ATOM 963 CG2 ILE A 58 0.887 5.456 -13.459 1.00 0.00 C ATOM 964 CD1 ILE A 58 0.844 2.561 -12.588 1.00 0.00 C ATOM 0 H ILE A 58 1.610 2.996 -16.510 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.664 3.520 -14.804 1.00 0.00 H new ATOM 0 HB ILE A 58 2.081 4.712 -15.070 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.975 2.295 -14.391 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.741 3.343 -13.213 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.732 5.670 -12.804 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.622 6.355 -14.016 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.035 5.136 -12.859 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.296 1.693 -12.109 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.671 3.338 -11.843 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.106 2.273 -13.039 1.00 0.00 H new ATOM 976 N GLU A 59 -1.624 5.633 -15.624 1.00 0.00 N ATOM 977 CA GLU A 59 -2.280 6.884 -15.954 1.00 0.00 C ATOM 978 C GLU A 59 -2.492 7.574 -14.604 1.00 0.00 C ATOM 979 O GLU A 59 -2.565 6.905 -13.569 1.00 0.00 O ATOM 980 CB GLU A 59 -3.612 6.617 -16.676 1.00 0.00 C ATOM 981 CG GLU A 59 -3.440 6.018 -18.083 1.00 0.00 C ATOM 982 CD GLU A 59 -2.672 6.924 -19.068 1.00 0.00 C ATOM 983 OE1 GLU A 59 -2.774 8.170 -18.990 1.00 0.00 O ATOM 984 OE2 GLU A 59 -1.991 6.391 -19.973 1.00 0.00 O ATOM 0 H GLU A 59 -2.153 5.090 -14.942 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.695 7.504 -16.633 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.213 5.938 -16.072 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.168 7.552 -16.753 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.916 5.066 -17.999 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.425 5.804 -18.497 1.00 0.00 H new ATOM 991 N GLU A 60 -2.576 8.902 -14.583 1.00 0.00 N ATOM 992 CA GLU A 60 -2.552 9.660 -13.337 1.00 0.00 C ATOM 993 C GLU A 60 -3.765 10.578 -13.250 1.00 0.00 C ATOM 994 O GLU A 60 -4.098 11.274 -14.214 1.00 0.00 O ATOM 995 CB GLU A 60 -1.247 10.466 -13.242 1.00 0.00 C ATOM 996 CG GLU A 60 -0.018 9.567 -13.057 1.00 0.00 C ATOM 997 CD GLU A 60 1.265 10.394 -12.875 1.00 0.00 C ATOM 998 OE1 GLU A 60 1.397 11.090 -11.843 1.00 0.00 O ATOM 999 OE2 GLU A 60 2.152 10.352 -13.759 1.00 0.00 O ATOM 0 H GLU A 60 -2.662 9.477 -15.421 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.594 8.966 -12.497 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.125 11.063 -14.146 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.313 11.163 -12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.164 8.924 -12.189 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.089 8.913 -13.923 1.00 0.00 H new ATOM 1006 N LYS A 61 -4.392 10.610 -12.072 1.00 0.00 N ATOM 1007 CA LYS A 61 -5.434 11.567 -11.706 1.00 0.00 C ATOM 1008 C LYS A 61 -5.103 12.047 -10.298 1.00 0.00 C ATOM 1009 O LYS A 61 -4.546 11.282 -9.509 1.00 0.00 O ATOM 1010 CB LYS A 61 -6.823 10.904 -11.738 1.00 0.00 C ATOM 1011 CG LYS A 61 -7.257 10.495 -13.156 1.00 0.00 C ATOM 1012 CD LYS A 61 -8.647 9.840 -13.195 1.00 0.00 C ATOM 1013 CE LYS A 61 -8.663 8.477 -12.482 1.00 0.00 C ATOM 1014 NZ LYS A 61 -9.989 7.813 -12.570 1.00 0.00 N ATOM 0 H LYS A 61 -4.181 9.949 -11.324 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.464 12.398 -12.410 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.814 10.022 -11.097 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.559 11.593 -11.322 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.259 11.376 -13.797 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.524 9.802 -13.568 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.373 10.503 -12.725 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.958 9.710 -14.232 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.905 7.830 -12.922 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.396 8.614 -11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.264 7.461 -11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.698 8.496 -12.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.935 7.016 -13.236 1.00 0.00 H new ATOM 1028 N THR A 62 -5.452 13.281 -9.964 1.00 0.00 N ATOM 1029 CA THR A 62 -5.084 13.891 -8.692 1.00 0.00 C ATOM 1030 C THR A 62 -6.360 13.952 -7.861 1.00 0.00 C ATOM 1031 O THR A 62 -7.360 14.524 -8.303 1.00 0.00 O ATOM 1032 CB THR A 62 -4.432 15.256 -8.966 1.00 0.00 C ATOM 1033 OG1 THR A 62 -3.427 15.113 -9.957 1.00 0.00 O ATOM 1034 CG2 THR A 62 -3.773 15.816 -7.710 1.00 0.00 C ATOM 0 H THR A 62 -6.001 13.891 -10.570 1.00 0.00 H new ATOM 0 HA THR A 62 -4.343 13.324 -8.129 1.00 0.00 H new ATOM 0 HB THR A 62 -5.216 15.936 -9.298 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.014 15.984 -10.132 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.321 16.782 -7.936 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.524 15.941 -6.930 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.002 15.127 -7.365 1.00 0.00 H new ATOM 1042 N VAL A 63 -6.353 13.345 -6.672 1.00 0.00 N ATOM 1043 CA VAL A 63 -7.568 13.134 -5.902 1.00 0.00 C ATOM 1044 C VAL A 63 -7.348 13.430 -4.421 1.00 0.00 C ATOM 1045 O VAL A 63 -6.235 13.374 -3.898 1.00 0.00 O ATOM 1046 CB VAL A 63 -8.092 11.692 -6.119 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -8.404 11.378 -7.592 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -7.136 10.601 -5.606 1.00 0.00 C ATOM 0 H VAL A 63 -5.508 12.990 -6.224 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.326 13.832 -6.257 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.010 11.671 -5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.767 10.354 -7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.168 12.065 -7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.499 11.493 -8.188 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.571 9.619 -5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.181 10.680 -6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.978 10.730 -4.535 1.00 0.00 H new ATOM 1058 N GLU A 64 -8.438 13.742 -3.738 1.00 0.00 N ATOM 1059 CA GLU A 64 -8.503 13.842 -2.292 1.00 0.00 C ATOM 1060 C GLU A 64 -9.220 12.570 -1.849 1.00 0.00 C ATOM 1061 O GLU A 64 -10.341 12.314 -2.291 1.00 0.00 O ATOM 1062 CB GLU A 64 -9.239 15.127 -1.881 1.00 0.00 C ATOM 1063 CG GLU A 64 -9.265 15.279 -0.353 1.00 0.00 C ATOM 1064 CD GLU A 64 -9.850 16.638 0.069 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -11.089 16.763 0.203 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -9.074 17.595 0.292 1.00 0.00 O ATOM 0 H GLU A 64 -9.330 13.939 -4.192 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.525 13.914 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.748 15.991 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.259 15.106 -2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.858 14.475 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.254 15.179 0.041 1.00 0.00 H new ATOM 1073 N VAL A 65 -8.563 11.734 -1.049 1.00 0.00 N ATOM 1074 CA VAL A 65 -9.173 10.536 -0.491 1.00 0.00 C ATOM 1075 C VAL A 65 -9.980 10.959 0.731 1.00 0.00 C ATOM 1076 O VAL A 65 -9.500 11.749 1.548 1.00 0.00 O ATOM 1077 CB VAL A 65 -8.153 9.409 -0.191 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -7.018 9.332 -1.229 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -7.554 9.385 1.219 1.00 0.00 C ATOM 0 H VAL A 65 -7.591 11.871 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.835 10.085 -1.230 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.783 8.522 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.337 8.524 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.440 9.142 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.473 10.276 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.856 8.552 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.027 10.320 1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.352 9.266 1.951 1.00 0.00 H new ATOM 1089 N LEU A 66 -11.190 10.421 0.869 1.00 0.00 N ATOM 1090 CA LEU A 66 -12.076 10.736 1.981 1.00 0.00 C ATOM 1091 C LEU A 66 -11.908 9.710 3.103 1.00 0.00 C ATOM 1092 O LEU A 66 -12.151 10.033 4.265 1.00 0.00 O ATOM 1093 CB LEU A 66 -13.545 10.797 1.518 1.00 0.00 C ATOM 1094 CG LEU A 66 -13.902 11.862 0.457 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -13.249 13.226 0.721 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -13.563 11.416 -0.970 1.00 0.00 C ATOM 0 H LEU A 66 -11.583 9.751 0.208 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.804 11.719 2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.816 9.819 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.170 10.969 2.394 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.982 11.975 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.541 13.927 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.577 13.605 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.165 13.116 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.836 12.204 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.494 11.217 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.118 10.509 -1.209 1.00 0.00 H new ATOM 1108 N GLY A 67 -11.473 8.491 2.773 1.00 0.00 N ATOM 1109 CA GLY A 67 -11.255 7.411 3.708 1.00 0.00 C ATOM 1110 C GLY A 67 -11.215 6.095 2.954 1.00 0.00 C ATOM 1111 O GLY A 67 -11.424 6.057 1.738 1.00 0.00 O ATOM 0 H GLY A 67 -11.259 8.231 1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.319 7.564 4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.051 7.393 4.452 1.00 0.00 H new ATOM 1115 N MET A 68 -10.934 5.011 3.670 1.00 0.00 N ATOM 1116 CA MET A 68 -11.069 3.668 3.115 1.00 0.00 C ATOM 1117 C MET A 68 -12.536 3.403 2.763 1.00 0.00 C ATOM 1118 O MET A 68 -13.451 3.930 3.404 1.00 0.00 O ATOM 1119 CB MET A 68 -10.511 2.595 4.057 1.00 0.00 C ATOM 1120 CG MET A 68 -8.993 2.730 4.226 1.00 0.00 C ATOM 1121 SD MET A 68 -8.210 1.327 5.065 1.00 0.00 S ATOM 1122 CE MET A 68 -8.003 0.184 3.673 1.00 0.00 C ATOM 0 H MET A 68 -10.611 5.036 4.637 1.00 0.00 H new ATOM 0 HA MET A 68 -10.472 3.612 2.205 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.995 2.676 5.030 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.748 1.606 3.665 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.539 2.850 3.243 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.781 3.639 4.788 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.468 -0.705 4.008 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.982 -0.104 3.290 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.434 0.673 2.882 1.00 0.00 H new ATOM 1132 N ALA A 69 -12.747 2.587 1.730 1.00 0.00 N ATOM 1133 CA ALA A 69 -14.068 2.161 1.288 1.00 0.00 C ATOM 1134 C ALA A 69 -14.756 1.299 2.366 1.00 0.00 C ATOM 1135 O ALA A 69 -14.077 0.818 3.280 1.00 0.00 O ATOM 1136 CB ALA A 69 -13.906 1.379 -0.018 1.00 0.00 C ATOM 0 H ALA A 69 -11.989 2.199 1.169 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.702 3.031 1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.884 1.049 -0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.448 2.020 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.271 0.510 0.155 1.00 0.00 H new ATOM 1142 N PRO A 70 -16.081 1.071 2.266 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.789 0.108 3.100 1.00 0.00 C ATOM 1144 C PRO A 70 -16.115 -1.268 3.110 1.00 0.00 C ATOM 1145 O PRO A 70 -15.517 -1.696 2.117 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.209 0.026 2.530 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.405 1.395 1.884 1.00 0.00 C ATOM 1148 CD PRO A 70 -17.012 1.714 1.348 1.00 0.00 C ATOM 0 HA PRO A 70 -16.788 0.431 4.141 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.305 -0.780 1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.946 -0.160 3.311 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.148 1.364 1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -18.742 2.139 2.606 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.886 1.335 0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.844 2.790 1.310 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.288 -1.998 4.214 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.700 -3.321 4.420 1.00 0.00 C ATOM 1158 C ASP A 71 -16.074 -4.315 3.318 1.00 0.00 C ATOM 1159 O ASP A 71 -15.290 -5.211 3.021 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.093 -3.892 5.789 1.00 0.00 C ATOM 1161 CG ASP A 71 -17.497 -4.523 5.809 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -18.496 -3.769 5.835 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -17.612 -5.768 5.839 1.00 0.00 O ATOM 0 H ASP A 71 -16.851 -1.680 5.003 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.620 -3.181 4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.361 -4.644 6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.050 -3.096 6.532 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.234 -4.138 2.679 1.00 0.00 N ATOM 1169 CA ASP A 72 -17.709 -5.019 1.614 1.00 0.00 C ATOM 1170 C ASP A 72 -16.797 -4.972 0.383 1.00 0.00 C ATOM 1171 O ASP A 72 -16.638 -5.977 -0.309 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.141 -4.644 1.223 1.00 0.00 C ATOM 1173 CG ASP A 72 -19.690 -5.593 0.144 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -19.921 -6.786 0.443 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -19.949 -5.140 -0.993 1.00 0.00 O ATOM 0 H ASP A 72 -17.874 -3.372 2.890 1.00 0.00 H new ATOM 0 HA ASP A 72 -17.691 -6.039 1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -19.782 -4.680 2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.163 -3.618 0.854 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.161 -3.824 0.133 1.00 0.00 N ATOM 1181 CA GLU A 73 -15.153 -3.685 -0.915 1.00 0.00 C ATOM 1182 C GLU A 73 -13.834 -4.275 -0.406 1.00 0.00 C ATOM 1183 O GLU A 73 -13.175 -5.046 -1.108 1.00 0.00 O ATOM 1184 CB GLU A 73 -14.958 -2.203 -1.284 1.00 0.00 C ATOM 1185 CG GLU A 73 -16.204 -1.520 -1.868 1.00 0.00 C ATOM 1186 CD GLU A 73 -16.627 -2.122 -3.221 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -16.022 -1.778 -4.261 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -17.589 -2.921 -3.267 1.00 0.00 O ATOM 0 H GLU A 73 -16.333 -2.964 0.654 1.00 0.00 H new ATOM 0 HA GLU A 73 -15.481 -4.217 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.645 -1.658 -0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.145 -2.126 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.028 -1.609 -1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.006 -0.456 -1.994 1.00 0.00 H new ATOM 1195 N CYS A 74 -13.477 -3.963 0.844 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.203 -4.334 1.452 1.00 0.00 C ATOM 1197 C CYS A 74 -12.061 -5.833 1.769 1.00 0.00 C ATOM 1198 O CYS A 74 -11.119 -6.223 2.457 1.00 0.00 O ATOM 1199 CB CYS A 74 -11.943 -3.455 2.679 1.00 0.00 C ATOM 1200 SG CYS A 74 -11.853 -1.711 2.174 1.00 0.00 S ATOM 0 H CYS A 74 -14.082 -3.434 1.472 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.431 -4.149 0.705 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.739 -3.591 3.411 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.012 -3.753 3.161 1.00 0.00 H new ATOM 0 HG CYS A 74 -11.717 -0.961 3.227 1.00 0.00 H new ATOM 1206 N LEU A 75 -12.971 -6.684 1.289 1.00 0.00 N ATOM 1207 CA LEU A 75 -12.887 -8.140 1.403 1.00 0.00 C ATOM 1208 C LEU A 75 -12.065 -8.764 0.268 1.00 0.00 C ATOM 1209 O LEU A 75 -11.735 -9.947 0.356 1.00 0.00 O ATOM 1210 CB LEU A 75 -14.305 -8.744 1.409 1.00 0.00 C ATOM 1211 CG LEU A 75 -14.980 -8.684 2.792 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -16.487 -8.899 2.642 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -14.413 -9.738 3.754 1.00 0.00 C ATOM 0 H LEU A 75 -13.808 -6.370 0.798 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.379 -8.366 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.923 -8.212 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.253 -9.782 1.081 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.778 -7.699 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.960 -8.856 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.904 -8.120 2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.672 -9.875 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.917 -9.660 4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.574 -10.733 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.345 -9.570 3.889 1.00 0.00 H new ATOM 1225 N LYS A 76 -11.742 -8.011 -0.794 1.00 0.00 N ATOM 1226 CA LYS A 76 -11.151 -8.570 -2.019 1.00 0.00 C ATOM 1227 C LYS A 76 -9.825 -7.905 -2.377 1.00 0.00 C ATOM 1228 O LYS A 76 -8.914 -8.578 -2.856 1.00 0.00 O ATOM 1229 CB LYS A 76 -12.145 -8.428 -3.186 1.00 0.00 C ATOM 1230 CG LYS A 76 -13.447 -9.217 -2.967 1.00 0.00 C ATOM 1231 CD LYS A 76 -14.382 -9.075 -4.178 1.00 0.00 C ATOM 1232 CE LYS A 76 -15.730 -9.785 -3.971 1.00 0.00 C ATOM 1233 NZ LYS A 76 -15.612 -11.266 -3.940 1.00 0.00 N ATOM 0 H LYS A 76 -11.882 -7.001 -0.828 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.944 -9.624 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.385 -7.374 -3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.669 -8.771 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.216 -10.269 -2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.950 -8.856 -2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.559 -8.017 -4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.892 -9.485 -5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.174 -9.443 -3.036 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.412 -9.498 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.553 -11.686 -3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.215 -11.602 -4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.985 -11.548 -3.159 1.00 0.00 H new ATOM 1247 N ASP A 77 -9.708 -6.605 -2.127 1.00 0.00 N ATOM 1248 CA ASP A 77 -8.510 -5.780 -2.301 1.00 0.00 C ATOM 1249 C ASP A 77 -8.740 -4.561 -1.402 1.00 0.00 C ATOM 1250 O ASP A 77 -9.861 -4.375 -0.923 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.351 -5.374 -3.779 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.033 -4.651 -4.119 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.115 -4.570 -3.273 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -6.900 -4.198 -5.277 1.00 0.00 O ATOM 0 H ASP A 77 -10.496 -6.062 -1.775 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.594 -6.306 -2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.426 -6.269 -4.396 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.184 -4.727 -4.054 1.00 0.00 H new ATOM 1259 N MET A 78 -7.732 -3.742 -1.118 1.00 0.00 N ATOM 1260 CA MET A 78 -7.934 -2.533 -0.320 1.00 0.00 C ATOM 1261 C MET A 78 -8.431 -1.416 -1.240 1.00 0.00 C ATOM 1262 O MET A 78 -7.938 -1.272 -2.362 1.00 0.00 O ATOM 1263 CB MET A 78 -6.636 -2.147 0.399 1.00 0.00 C ATOM 1264 CG MET A 78 -6.216 -3.174 1.457 1.00 0.00 C ATOM 1265 SD MET A 78 -7.349 -3.427 2.854 1.00 0.00 S ATOM 1266 CE MET A 78 -8.139 -4.981 2.346 1.00 0.00 C ATOM 0 H MET A 78 -6.771 -3.890 -1.426 1.00 0.00 H new ATOM 0 HA MET A 78 -8.684 -2.709 0.451 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.837 -2.041 -0.335 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.764 -1.174 0.874 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.071 -4.133 0.960 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.248 -2.873 1.856 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.631 -5.437 3.205 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.878 -4.777 1.571 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.383 -5.663 1.957 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.367 -0.589 -0.765 1.00 0.00 N ATOM 1277 CA TYR A 79 -10.016 0.460 -1.553 1.00 0.00 C ATOM 1278 C TYR A 79 -10.210 1.716 -0.703 1.00 0.00 C ATOM 1279 O TYR A 79 -10.259 1.647 0.527 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.387 -0.023 -2.061 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.391 -1.074 -3.152 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -11.394 -0.689 -4.506 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.501 -2.435 -2.815 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.498 -1.660 -5.518 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -11.602 -3.413 -3.818 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.594 -3.029 -5.180 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.690 -3.961 -6.170 1.00 0.00 O ATOM 0 H TYR A 79 -9.701 -0.632 0.198 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.377 0.693 -2.405 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.942 -0.417 -1.210 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.937 0.845 -2.426 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.316 0.356 -4.769 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.508 -2.731 -1.776 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.505 -1.359 -6.555 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.686 -4.456 -3.550 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.747 -4.855 -5.773 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.365 2.856 -1.373 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.502 4.178 -0.782 1.00 0.00 C ATOM 1299 C VAL A 80 -11.534 4.952 -1.596 1.00 0.00 C ATOM 1300 O VAL A 80 -11.574 4.836 -2.821 1.00 0.00 O ATOM 1301 CB VAL A 80 -9.138 4.910 -0.736 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.295 4.463 0.465 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -8.292 4.729 -2.009 1.00 0.00 C ATOM 0 H VAL A 80 -10.400 2.880 -2.392 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.841 4.097 0.251 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.399 5.965 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.346 4.999 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.832 4.681 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.107 3.391 0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.352 5.270 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.085 3.670 -2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.839 5.119 -2.868 1.00 0.00 H new ATOM 1313 N GLU A 81 -12.380 5.723 -0.922 1.00 0.00 N ATOM 1314 CA GLU A 81 -13.271 6.675 -1.568 1.00 0.00 C ATOM 1315 C GLU A 81 -12.441 7.915 -1.887 1.00 0.00 C ATOM 1316 O GLU A 81 -11.664 8.366 -1.040 1.00 0.00 O ATOM 1317 CB GLU A 81 -14.446 7.034 -0.648 1.00 0.00 C ATOM 1318 CG GLU A 81 -15.390 5.843 -0.437 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.629 6.245 0.384 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.567 6.239 1.634 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.685 6.554 -0.214 1.00 0.00 O ATOM 0 H GLU A 81 -12.466 5.704 0.094 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.696 6.248 -2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -14.063 7.370 0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.002 7.867 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.704 5.451 -1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.857 5.041 0.074 1.00 0.00 H new ATOM 1328 N VAL A 82 -12.597 8.474 -3.086 1.00 0.00 N ATOM 1329 CA VAL A 82 -11.766 9.569 -3.575 1.00 0.00 C ATOM 1330 C VAL A 82 -12.626 10.571 -4.345 1.00 0.00 C ATOM 1331 O VAL A 82 -13.609 10.184 -4.974 1.00 0.00 O ATOM 1332 CB VAL A 82 -10.589 9.023 -4.422 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -9.736 7.985 -3.676 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -11.012 8.404 -5.764 1.00 0.00 C ATOM 0 H VAL A 82 -13.311 8.175 -3.750 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.326 10.098 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.998 9.917 -4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.929 7.643 -4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.313 8.438 -2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.359 7.136 -3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.129 8.047 -6.294 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.689 7.569 -5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.518 9.157 -6.368 1.00 0.00 H new ATOM 1344 N ALA A 83 -12.250 11.848 -4.344 1.00 0.00 N ATOM 1345 CA ALA A 83 -12.905 12.905 -5.101 1.00 0.00 C ATOM 1346 C ALA A 83 -11.839 13.580 -5.956 1.00 0.00 C ATOM 1347 O ALA A 83 -10.716 13.802 -5.498 1.00 0.00 O ATOM 1348 CB ALA A 83 -13.567 13.907 -4.151 1.00 0.00 C ATOM 0 H ALA A 83 -11.456 12.183 -3.798 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.691 12.498 -5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.053 14.692 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -14.310 13.394 -3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.810 14.350 -3.504 1.00 0.00 H new ATOM 1354 N ASP A 84 -12.178 13.869 -7.208 1.00 0.00 N ATOM 1355 CA ASP A 84 -11.241 14.447 -8.170 1.00 0.00 C ATOM 1356 C ASP A 84 -10.940 15.903 -7.822 1.00 0.00 C ATOM 1357 O ASP A 84 -11.859 16.713 -7.706 1.00 0.00 O ATOM 1358 CB ASP A 84 -11.834 14.371 -9.579 1.00 0.00 C ATOM 1359 CG ASP A 84 -10.978 15.151 -10.582 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -9.748 14.936 -10.626 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -11.543 16.007 -11.294 1.00 0.00 O ATOM 0 H ASP A 84 -13.112 13.709 -7.587 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.312 13.879 -8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.906 13.329 -9.891 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.847 14.772 -9.572 1.00 0.00 H new ATOM 1366 N ILE A 85 -9.659 16.249 -7.687 1.00 0.00 N ATOM 1367 CA ILE A 85 -9.225 17.623 -7.440 1.00 0.00 C ATOM 1368 C ILE A 85 -9.161 18.389 -8.778 1.00 0.00 C ATOM 1369 O ILE A 85 -9.274 19.616 -8.781 1.00 0.00 O ATOM 1370 CB ILE A 85 -7.884 17.620 -6.660 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -8.031 16.885 -5.304 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -7.368 19.040 -6.367 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -6.707 16.681 -4.556 1.00 0.00 C ATOM 0 H ILE A 85 -8.891 15.581 -7.746 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.943 18.148 -6.811 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.171 17.105 -7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.712 17.451 -4.668 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.491 15.912 -5.478 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.427 18.980 -5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.208 19.570 -7.306 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.103 19.578 -5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.896 16.160 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.030 16.088 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.254 17.650 -4.348 1.00 0.00 H new ATOM 1385 N GLY A 86 -9.012 17.692 -9.914 1.00 0.00 N ATOM 1386 CA GLY A 86 -8.868 18.297 -11.234 1.00 0.00 C ATOM 1387 C GLY A 86 -10.042 19.213 -11.590 1.00 0.00 C ATOM 1388 O GLY A 86 -9.825 20.322 -12.085 1.00 0.00 O ATOM 0 H GLY A 86 -8.989 16.672 -9.935 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.941 18.870 -11.269 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.785 17.510 -11.984 1.00 0.00 H new ATOM 1392 N GLY A 87 -11.272 18.789 -11.292 1.00 0.00 N ATOM 1393 CA GLY A 87 -12.464 19.606 -11.474 1.00 0.00 C ATOM 1394 C GLY A 87 -13.759 18.937 -11.020 1.00 0.00 C ATOM 1395 O GLY A 87 -14.680 19.636 -10.596 1.00 0.00 O ATOM 0 H GLY A 87 -11.466 17.861 -10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.338 20.539 -10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -12.554 19.867 -12.528 1.00 0.00 H new ATOM 1399 N LYS A 88 -13.853 17.603 -11.054 1.00 0.00 N ATOM 1400 CA LYS A 88 -15.079 16.861 -10.738 1.00 0.00 C ATOM 1401 C LYS A 88 -15.227 16.651 -9.224 1.00 0.00 C ATOM 1402 O LYS A 88 -15.705 15.609 -8.781 1.00 0.00 O ATOM 1403 CB LYS A 88 -15.128 15.546 -11.541 1.00 0.00 C ATOM 1404 CG LYS A 88 -15.047 15.781 -13.060 1.00 0.00 C ATOM 1405 CD LYS A 88 -15.232 14.498 -13.883 1.00 0.00 C ATOM 1406 CE LYS A 88 -14.130 13.465 -13.602 1.00 0.00 C ATOM 1407 NZ LYS A 88 -14.256 12.265 -14.467 1.00 0.00 N ATOM 0 H LYS A 88 -13.069 17.000 -11.305 1.00 0.00 H new ATOM 0 HA LYS A 88 -15.943 17.452 -11.043 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.304 14.904 -11.231 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.051 15.015 -11.307 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.810 16.504 -13.350 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -14.080 16.223 -13.301 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.204 14.060 -13.657 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.233 14.746 -14.944 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.154 13.924 -13.760 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -14.175 13.163 -12.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -13.493 11.595 -14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.176 11.811 -14.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.187 12.548 -15.465 1.00 0.00 H new ATOM 1421 N ASP A 89 -14.818 17.637 -8.421 1.00 0.00 N ATOM 1422 CA ASP A 89 -14.914 17.625 -6.958 1.00 0.00 C ATOM 1423 C ASP A 89 -16.370 17.517 -6.481 1.00 0.00 C ATOM 1424 O ASP A 89 -16.636 17.064 -5.368 1.00 0.00 O ATOM 1425 CB ASP A 89 -14.280 18.907 -6.405 1.00 0.00 C ATOM 1426 CG ASP A 89 -14.403 18.996 -4.874 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -13.703 18.244 -4.160 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -15.163 19.858 -4.377 1.00 0.00 O ATOM 0 H ASP A 89 -14.397 18.493 -8.782 1.00 0.00 H new ATOM 0 HA ASP A 89 -14.383 16.748 -6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -13.228 18.942 -6.687 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -14.760 19.774 -6.858 1.00 0.00 H new ATOM 1433 N ASP A 90 -17.318 17.908 -7.339 1.00 0.00 N ATOM 1434 CA ASP A 90 -18.760 17.795 -7.117 1.00 0.00 C ATOM 1435 C ASP A 90 -19.243 16.335 -7.026 1.00 0.00 C ATOM 1436 O ASP A 90 -20.381 16.089 -6.625 1.00 0.00 O ATOM 1437 CB ASP A 90 -19.490 18.529 -8.252 1.00 0.00 C ATOM 1438 CG ASP A 90 -21.016 18.558 -8.053 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -21.494 19.191 -7.083 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -21.752 18.005 -8.900 1.00 0.00 O ATOM 0 H ASP A 90 -17.092 18.328 -8.241 1.00 0.00 H new ATOM 0 HA ASP A 90 -18.988 18.250 -6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -19.116 19.551 -8.318 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -19.260 18.044 -9.201 1.00 0.00 H new ATOM 1445 N ASP A 91 -18.397 15.356 -7.365 1.00 0.00 N ATOM 1446 CA ASP A 91 -18.719 13.931 -7.360 1.00 0.00 C ATOM 1447 C ASP A 91 -17.574 13.141 -6.710 1.00 0.00 C ATOM 1448 O ASP A 91 -16.479 13.669 -6.496 1.00 0.00 O ATOM 1449 CB ASP A 91 -19.002 13.460 -8.798 1.00 0.00 C ATOM 1450 CG ASP A 91 -19.617 12.049 -8.876 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -20.224 11.581 -7.886 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -19.543 11.421 -9.955 1.00 0.00 O ATOM 0 H ASP A 91 -17.439 15.544 -7.660 1.00 0.00 H new ATOM 0 HA ASP A 91 -19.618 13.753 -6.769 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -19.678 14.169 -9.277 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -18.071 13.473 -9.365 1.00 0.00 H new ATOM 1457 N VAL A 92 -17.833 11.883 -6.362 1.00 0.00 N ATOM 1458 CA VAL A 92 -16.945 11.035 -5.575 1.00 0.00 C ATOM 1459 C VAL A 92 -16.957 9.639 -6.211 1.00 0.00 C ATOM 1460 O VAL A 92 -17.943 9.219 -6.825 1.00 0.00 O ATOM 1461 CB VAL A 92 -17.392 11.014 -4.090 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -16.345 10.369 -3.168 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -17.695 12.413 -3.518 1.00 0.00 C ATOM 0 H VAL A 92 -18.697 11.411 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.925 11.420 -5.579 1.00 0.00 H new ATOM 0 HB VAL A 92 -18.306 10.421 -4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.709 10.380 -2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -16.171 9.339 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.412 10.929 -3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -18.002 12.321 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.801 13.033 -3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -18.497 12.875 -4.093 1.00 0.00 H new ATOM 1473 N TYR A 93 -15.846 8.930 -6.052 1.00 0.00 N ATOM 1474 CA TYR A 93 -15.512 7.681 -6.714 1.00 0.00 C ATOM 1475 C TYR A 93 -14.857 6.745 -5.691 1.00 0.00 C ATOM 1476 O TYR A 93 -14.660 7.117 -4.531 1.00 0.00 O ATOM 1477 CB TYR A 93 -14.545 7.985 -7.877 1.00 0.00 C ATOM 1478 CG TYR A 93 -14.982 9.108 -8.805 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -15.897 8.847 -9.843 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -14.497 10.418 -8.611 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -16.327 9.887 -10.686 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -14.925 11.464 -9.449 1.00 0.00 C ATOM 1483 CZ TYR A 93 -15.843 11.202 -10.491 1.00 0.00 C ATOM 1484 OH TYR A 93 -16.247 12.217 -11.305 1.00 0.00 O ATOM 0 H TYR A 93 -15.109 9.234 -5.416 1.00 0.00 H new ATOM 0 HA TYR A 93 -16.404 7.198 -7.113 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.570 8.238 -7.461 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -14.415 7.078 -8.467 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -16.270 7.844 -9.992 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.794 10.619 -7.816 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -17.027 9.682 -11.483 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.552 12.466 -9.296 1.00 0.00 H new ATOM 0 HH TYR A 93 -17.189 12.423 -11.128 1.00 0.00 H new ATOM 1494 N THR A 94 -14.461 5.558 -6.140 1.00 0.00 N ATOM 1495 CA THR A 94 -13.689 4.609 -5.348 1.00 0.00 C ATOM 1496 C THR A 94 -12.494 4.184 -6.200 1.00 0.00 C ATOM 1497 O THR A 94 -12.638 3.937 -7.401 1.00 0.00 O ATOM 1498 CB THR A 94 -14.567 3.421 -4.896 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.866 3.854 -4.519 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.947 2.694 -3.698 1.00 0.00 C ATOM 0 H THR A 94 -14.672 5.224 -7.080 1.00 0.00 H new ATOM 0 HA THR A 94 -13.328 5.061 -4.424 1.00 0.00 H new ATOM 0 HB THR A 94 -14.633 2.744 -5.748 1.00 0.00 H new ATOM 0 HG1 THR A 94 -16.400 3.081 -4.239 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.589 1.863 -3.404 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.963 2.313 -3.973 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.847 3.388 -2.863 1.00 0.00 H new ATOM 1508 N ALA A 95 -11.324 4.106 -5.572 1.00 0.00 N ATOM 1509 CA ALA A 95 -10.071 3.689 -6.175 1.00 0.00 C ATOM 1510 C ALA A 95 -9.513 2.552 -5.329 1.00 0.00 C ATOM 1511 O ALA A 95 -9.795 2.462 -4.132 1.00 0.00 O ATOM 1512 CB ALA A 95 -9.101 4.877 -6.209 1.00 0.00 C ATOM 0 H ALA A 95 -11.224 4.343 -4.585 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.217 3.348 -7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.160 4.565 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.536 5.685 -6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.917 5.226 -5.193 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.707 1.680 -5.930 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.959 0.698 -5.172 1.00 0.00 C ATOM 1520 C LYS A 96 -6.877 1.462 -4.427 1.00 0.00 C ATOM 1521 O LYS A 96 -6.192 2.296 -5.024 1.00 0.00 O ATOM 1522 CB LYS A 96 -7.327 -0.328 -6.122 1.00 0.00 C ATOM 1523 CG LYS A 96 -8.362 -1.243 -6.795 1.00 0.00 C ATOM 1524 CD LYS A 96 -7.730 -2.036 -7.946 1.00 0.00 C ATOM 1525 CE LYS A 96 -7.657 -1.192 -9.229 1.00 0.00 C ATOM 1526 NZ LYS A 96 -6.584 -1.652 -10.141 1.00 0.00 N ATOM 0 H LYS A 96 -8.560 1.639 -6.938 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.603 0.155 -4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.761 0.198 -6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.617 -0.940 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.777 -1.932 -6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.190 -0.644 -7.173 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.728 -2.358 -7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.313 -2.937 -8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.615 -1.237 -9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.485 -0.148 -8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.668 -1.158 -11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.657 -1.444 -9.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.673 -2.677 -10.293 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.667 1.147 -3.151 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.497 1.651 -2.428 1.00 0.00 C ATOM 1542 C LEU A 97 -4.240 1.145 -3.154 1.00 0.00 C ATOM 1543 O LEU A 97 -3.227 1.834 -3.218 1.00 0.00 O ATOM 1544 CB LEU A 97 -5.517 1.166 -0.969 1.00 0.00 C ATOM 1545 CG LEU A 97 -4.363 1.731 -0.112 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.481 3.249 0.071 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -4.366 1.055 1.261 1.00 0.00 C ATOM 0 H LEU A 97 -7.284 0.551 -2.599 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.504 2.741 -2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.467 1.448 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.468 0.077 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.429 1.525 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.651 3.608 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.454 3.736 -0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.423 3.484 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.551 1.454 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.316 1.248 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.233 -0.020 1.138 1.00 0.00 H new ATOM 1559 N SER A 98 -4.360 -0.031 -3.774 1.00 0.00 N ATOM 1560 CA SER A 98 -3.366 -0.698 -4.601 1.00 0.00 C ATOM 1561 C SER A 98 -3.056 0.050 -5.914 1.00 0.00 C ATOM 1562 O SER A 98 -2.225 -0.417 -6.694 1.00 0.00 O ATOM 1563 CB SER A 98 -3.894 -2.124 -4.842 1.00 0.00 C ATOM 1564 OG SER A 98 -4.237 -2.690 -3.586 1.00 0.00 O ATOM 0 H SER A 98 -5.219 -0.577 -3.703 1.00 0.00 H new ATOM 0 HA SER A 98 -2.404 -0.718 -4.089 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.764 -2.101 -5.498 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.136 -2.731 -5.338 1.00 0.00 H new ATOM 0 HG SER A 98 -4.947 -3.354 -3.709 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.682 1.209 -6.157 1.00 0.00 N ATOM 1571 CA ASP A 99 -3.449 2.081 -7.312 1.00 0.00 C ATOM 1572 C ASP A 99 -3.288 3.539 -6.846 1.00 0.00 C ATOM 1573 O ASP A 99 -3.256 4.450 -7.670 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.609 1.959 -8.324 1.00 0.00 C ATOM 1575 CG ASP A 99 -4.513 0.742 -9.246 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -4.551 -0.411 -8.762 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -4.466 0.933 -10.481 1.00 0.00 O ATOM 0 H ASP A 99 -4.394 1.579 -5.527 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.530 1.769 -7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.550 1.912 -7.776 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.640 2.861 -8.934 1.00 0.00 H new ATOM 1582 N ILE A 100 -3.180 3.797 -5.540 1.00 0.00 N ATOM 1583 CA ILE A 100 -3.095 5.137 -4.961 1.00 0.00 C ATOM 1584 C ILE A 100 -1.715 5.306 -4.336 1.00 0.00 C ATOM 1585 O ILE A 100 -1.109 4.359 -3.831 1.00 0.00 O ATOM 1586 CB ILE A 100 -4.270 5.346 -3.965 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -5.517 5.822 -4.741 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.986 6.257 -2.751 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.670 7.337 -4.920 1.00 0.00 C ATOM 0 H ILE A 100 -3.149 3.058 -4.838 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.201 5.914 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.439 4.371 -3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.502 5.361 -5.729 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.403 5.447 -4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.880 6.325 -2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.168 5.838 -2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.709 7.252 -3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.582 7.547 -5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.726 7.815 -3.942 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.811 7.727 -5.466 1.00 0.00 H new ATOM 1601 N GLU A 101 -1.250 6.550 -4.348 1.00 0.00 N ATOM 1602 CA GLU A 101 -0.023 6.976 -3.695 1.00 0.00 C ATOM 1603 C GLU A 101 -0.330 8.304 -3.002 1.00 0.00 C ATOM 1604 O GLU A 101 -0.759 9.257 -3.655 1.00 0.00 O ATOM 1605 CB GLU A 101 1.087 7.089 -4.751 1.00 0.00 C ATOM 1606 CG GLU A 101 2.463 7.348 -4.127 1.00 0.00 C ATOM 1607 CD GLU A 101 3.559 7.435 -5.203 1.00 0.00 C ATOM 1608 OE1 GLU A 101 3.832 6.420 -5.884 1.00 0.00 O ATOM 1609 OE2 GLU A 101 4.167 8.516 -5.372 1.00 0.00 O ATOM 0 H GLU A 101 -1.732 7.310 -4.827 1.00 0.00 H new ATOM 0 HA GLU A 101 0.330 6.266 -2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.123 6.170 -5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 101 0.847 7.897 -5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.437 8.276 -3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.702 6.549 -3.425 1.00 0.00 H new ATOM 1616 N ALA A 102 -0.173 8.362 -1.677 1.00 0.00 N ATOM 1617 CA ALA A 102 -0.459 9.573 -0.917 1.00 0.00 C ATOM 1618 C ALA A 102 0.596 10.641 -1.204 1.00 0.00 C ATOM 1619 O ALA A 102 1.763 10.334 -1.464 1.00 0.00 O ATOM 1620 CB ALA A 102 -0.493 9.276 0.582 1.00 0.00 C ATOM 0 H ALA A 102 0.152 7.579 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.437 9.942 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.708 10.193 1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.269 8.539 0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.474 8.883 0.897 1.00 0.00 H new ATOM 1626 N ILE A 103 0.178 11.897 -1.083 1.00 0.00 N ATOM 1627 CA ILE A 103 1.012 13.075 -1.284 1.00 0.00 C ATOM 1628 C ILE A 103 1.067 13.837 0.043 1.00 0.00 C ATOM 1629 O ILE A 103 0.030 14.123 0.645 1.00 0.00 O ATOM 1630 CB ILE A 103 0.439 13.936 -2.439 1.00 0.00 C ATOM 1631 CG1 ILE A 103 0.448 13.175 -3.788 1.00 0.00 C ATOM 1632 CG2 ILE A 103 1.223 15.253 -2.593 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -0.413 13.848 -4.865 1.00 0.00 C ATOM 0 H ILE A 103 -0.783 12.130 -0.834 1.00 0.00 H new ATOM 0 HA ILE A 103 2.026 12.801 -1.575 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.595 14.160 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.474 13.098 -4.148 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.089 12.158 -3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.798 15.836 -3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.158 15.825 -1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.268 15.031 -2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.365 13.266 -5.786 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.447 13.901 -4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.040 14.855 -5.052 1.00 0.00 H new ATOM 1645 N ASP A 104 2.291 14.196 0.453 1.00 0.00 N ATOM 1646 CA ASP A 104 2.603 15.057 1.601 1.00 0.00 C ATOM 1647 C ASP A 104 1.835 14.668 2.876 1.00 0.00 C ATOM 1648 O ASP A 104 1.327 15.519 3.611 1.00 0.00 O ATOM 1649 CB ASP A 104 2.441 16.534 1.202 1.00 0.00 C ATOM 1650 CG ASP A 104 2.956 17.502 2.284 1.00 0.00 C ATOM 1651 OD1 ASP A 104 4.068 17.294 2.821 1.00 0.00 O ATOM 1652 OD2 ASP A 104 2.281 18.521 2.561 1.00 0.00 O ATOM 0 H ASP A 104 3.131 13.878 -0.031 1.00 0.00 H new ATOM 0 HA ASP A 104 3.647 14.902 1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 104 2.979 16.716 0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.389 16.740 1.007 1.00 0.00 H new ATOM 1657 N VAL A 105 1.699 13.360 3.111 1.00 0.00 N ATOM 1658 CA VAL A 105 0.902 12.815 4.207 1.00 0.00 C ATOM 1659 C VAL A 105 1.787 12.533 5.434 1.00 0.00 C ATOM 1660 O VAL A 105 3.013 12.678 5.373 1.00 0.00 O ATOM 1661 CB VAL A 105 0.096 11.610 3.672 1.00 0.00 C ATOM 1662 CG1 VAL A 105 0.894 10.300 3.570 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -1.208 11.428 4.450 1.00 0.00 C ATOM 0 H VAL A 105 2.145 12.644 2.538 1.00 0.00 H new ATOM 0 HA VAL A 105 0.170 13.535 4.572 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.150 11.860 2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.249 9.510 3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.738 10.440 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.262 10.020 4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.753 10.573 4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.983 11.256 5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.819 12.326 4.352 1.00 0.00 H new ATOM 1673 N ASP A 106 1.170 12.156 6.561 1.00 0.00 N ATOM 1674 CA ASP A 106 1.890 11.793 7.782 1.00 0.00 C ATOM 1675 C ASP A 106 2.732 10.538 7.563 1.00 0.00 C ATOM 1676 O ASP A 106 2.471 9.730 6.671 1.00 0.00 O ATOM 1677 CB ASP A 106 0.927 11.538 8.947 1.00 0.00 C ATOM 1678 CG ASP A 106 1.648 11.478 10.301 1.00 0.00 C ATOM 1679 OD1 ASP A 106 1.939 12.548 10.881 1.00 0.00 O ATOM 1680 OD2 ASP A 106 1.952 10.359 10.769 1.00 0.00 O ATOM 0 H ASP A 106 0.156 12.095 6.649 1.00 0.00 H new ATOM 0 HA ASP A 106 2.537 12.635 8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 106 0.176 12.328 8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 106 0.398 10.600 8.779 1.00 0.00 H new ATOM 1685 N ASP A 107 3.708 10.348 8.438 1.00 0.00 N ATOM 1686 CA ASP A 107 4.630 9.220 8.402 1.00 0.00 C ATOM 1687 C ASP A 107 3.881 7.902 8.562 1.00 0.00 C ATOM 1688 O ASP A 107 4.183 6.950 7.848 1.00 0.00 O ATOM 1689 CB ASP A 107 5.677 9.367 9.510 1.00 0.00 C ATOM 1690 CG ASP A 107 6.625 8.157 9.541 1.00 0.00 C ATOM 1691 OD1 ASP A 107 7.512 8.061 8.663 1.00 0.00 O ATOM 1692 OD2 ASP A 107 6.527 7.331 10.476 1.00 0.00 O ATOM 0 H ASP A 107 3.886 10.988 9.212 1.00 0.00 H new ATOM 0 HA ASP A 107 5.130 9.214 7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.252 10.279 9.352 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.179 9.467 10.474 1.00 0.00 H new ATOM 1697 N ASP A 108 2.880 7.842 9.447 1.00 0.00 N ATOM 1698 CA ASP A 108 2.171 6.593 9.711 1.00 0.00 C ATOM 1699 C ASP A 108 1.308 6.223 8.502 1.00 0.00 C ATOM 1700 O ASP A 108 1.326 5.078 8.051 1.00 0.00 O ATOM 1701 CB ASP A 108 1.328 6.711 10.995 1.00 0.00 C ATOM 1702 CG ASP A 108 1.286 5.423 11.838 1.00 0.00 C ATOM 1703 OD1 ASP A 108 2.270 4.649 11.851 1.00 0.00 O ATOM 1704 OD2 ASP A 108 0.301 5.231 12.586 1.00 0.00 O ATOM 0 H ASP A 108 2.547 8.640 9.988 1.00 0.00 H new ATOM 0 HA ASP A 108 2.895 5.794 9.870 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.727 7.520 11.606 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.309 6.989 10.724 1.00 0.00 H new ATOM 1709 N THR A 109 0.616 7.205 7.914 1.00 0.00 N ATOM 1710 CA THR A 109 -0.162 7.021 6.696 1.00 0.00 C ATOM 1711 C THR A 109 0.749 6.553 5.555 1.00 0.00 C ATOM 1712 O THR A 109 0.409 5.593 4.860 1.00 0.00 O ATOM 1713 CB THR A 109 -0.913 8.330 6.378 1.00 0.00 C ATOM 1714 OG1 THR A 109 -1.578 8.781 7.549 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.995 8.160 5.312 1.00 0.00 C ATOM 0 H THR A 109 0.584 8.157 8.278 1.00 0.00 H new ATOM 0 HA THR A 109 -0.910 6.240 6.829 1.00 0.00 H new ATOM 0 HB THR A 109 -0.161 9.031 6.015 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.056 9.614 7.354 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.485 9.117 5.135 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.541 7.808 4.386 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.732 7.433 5.654 1.00 0.00 H new ATOM 1723 N GLN A 110 1.925 7.170 5.388 1.00 0.00 N ATOM 1724 CA GLN A 110 2.863 6.778 4.347 1.00 0.00 C ATOM 1725 C GLN A 110 3.341 5.340 4.592 1.00 0.00 C ATOM 1726 O GLN A 110 3.354 4.541 3.659 1.00 0.00 O ATOM 1727 CB GLN A 110 4.029 7.785 4.281 1.00 0.00 C ATOM 1728 CG GLN A 110 4.656 7.902 2.882 1.00 0.00 C ATOM 1729 CD GLN A 110 5.292 6.603 2.381 1.00 0.00 C ATOM 1730 OE1 GLN A 110 6.276 6.118 2.933 1.00 0.00 O ATOM 1731 NE2 GLN A 110 4.746 6.013 1.328 1.00 0.00 N ATOM 0 H GLN A 110 2.244 7.946 5.968 1.00 0.00 H new ATOM 0 HA GLN A 110 2.369 6.795 3.375 1.00 0.00 H new ATOM 0 HB2 GLN A 110 3.670 8.766 4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 110 4.799 7.485 4.992 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.888 8.216 2.175 1.00 0.00 H new ATOM 0 HG3 GLN A 110 5.414 8.685 2.898 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.929 6.426 0.879 1.00 0.00 H new ATOM 0 HE22 GLN A 110 5.143 5.146 0.967 1.00 0.00 H new ATOM 1740 N GLU A 111 3.680 4.978 5.833 1.00 0.00 N ATOM 1741 CA GLU A 111 4.144 3.637 6.164 1.00 0.00 C ATOM 1742 C GLU A 111 3.081 2.589 5.866 1.00 0.00 C ATOM 1743 O GLU A 111 3.422 1.550 5.310 1.00 0.00 O ATOM 1744 CB GLU A 111 4.571 3.547 7.637 1.00 0.00 C ATOM 1745 CG GLU A 111 5.984 4.096 7.857 1.00 0.00 C ATOM 1746 CD GLU A 111 7.081 3.249 7.176 1.00 0.00 C ATOM 1747 OE1 GLU A 111 7.056 2.000 7.275 1.00 0.00 O ATOM 1748 OE2 GLU A 111 7.997 3.832 6.552 1.00 0.00 O ATOM 0 H GLU A 111 3.639 5.610 6.633 1.00 0.00 H new ATOM 0 HA GLU A 111 5.011 3.434 5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.865 4.103 8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.530 2.508 7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.033 5.116 7.476 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.185 4.145 8.927 1.00 0.00 H new ATOM 1755 N ALA A 112 1.809 2.856 6.172 1.00 0.00 N ATOM 1756 CA ALA A 112 0.720 1.937 5.854 1.00 0.00 C ATOM 1757 C ALA A 112 0.677 1.649 4.351 1.00 0.00 C ATOM 1758 O ALA A 112 0.516 0.502 3.935 1.00 0.00 O ATOM 1759 CB ALA A 112 -0.613 2.544 6.296 1.00 0.00 C ATOM 0 H ALA A 112 1.509 3.709 6.644 1.00 0.00 H new ATOM 0 HA ALA A 112 0.891 1.001 6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.423 1.855 6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.593 2.722 7.371 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.774 3.488 5.775 1.00 0.00 H new ATOM 1765 N ILE A 113 0.822 2.697 3.540 1.00 0.00 N ATOM 1766 CA ILE A 113 0.746 2.605 2.091 1.00 0.00 C ATOM 1767 C ILE A 113 1.973 1.862 1.563 1.00 0.00 C ATOM 1768 O ILE A 113 1.816 0.914 0.801 1.00 0.00 O ATOM 1769 CB ILE A 113 0.583 4.028 1.522 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -0.822 4.545 1.903 1.00 0.00 C ATOM 1771 CG2 ILE A 113 0.793 4.079 0.000 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -0.927 6.064 1.843 1.00 0.00 C ATOM 0 H ILE A 113 0.997 3.643 3.880 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.119 2.027 1.765 1.00 0.00 H new ATOM 0 HB ILE A 113 1.352 4.668 1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.560 4.107 1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.068 4.208 2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.667 5.103 -0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.799 3.734 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.062 3.436 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.936 6.370 2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.210 6.506 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.710 6.404 0.830 1.00 0.00 H new ATOM 1784 N ALA A 114 3.182 2.247 1.981 1.00 0.00 N ATOM 1785 CA ALA A 114 4.412 1.585 1.564 1.00 0.00 C ATOM 1786 C ALA A 114 4.371 0.099 1.928 1.00 0.00 C ATOM 1787 O ALA A 114 4.667 -0.754 1.094 1.00 0.00 O ATOM 1788 CB ALA A 114 5.614 2.271 2.221 1.00 0.00 C ATOM 0 H ALA A 114 3.331 3.029 2.619 1.00 0.00 H new ATOM 0 HA ALA A 114 4.510 1.663 0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.532 1.774 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.646 3.318 1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.520 2.210 3.305 1.00 0.00 H new ATOM 1794 N ASP A 115 3.949 -0.210 3.155 1.00 0.00 N ATOM 1795 CA ASP A 115 3.852 -1.576 3.658 1.00 0.00 C ATOM 1796 C ASP A 115 2.870 -2.402 2.828 1.00 0.00 C ATOM 1797 O ASP A 115 3.171 -3.538 2.450 1.00 0.00 O ATOM 1798 CB ASP A 115 3.415 -1.561 5.124 1.00 0.00 C ATOM 1799 CG ASP A 115 3.510 -2.959 5.735 1.00 0.00 C ATOM 1800 OD1 ASP A 115 4.622 -3.311 6.190 1.00 0.00 O ATOM 1801 OD2 ASP A 115 2.484 -3.666 5.809 1.00 0.00 O ATOM 0 H ASP A 115 3.661 0.494 3.835 1.00 0.00 H new ATOM 0 HA ASP A 115 4.836 -2.039 3.578 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.042 -0.870 5.688 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.391 -1.196 5.199 1.00 0.00 H new ATOM 1806 N TRP A 116 1.724 -1.806 2.483 1.00 0.00 N ATOM 1807 CA TRP A 116 0.735 -2.444 1.631 1.00 0.00 C ATOM 1808 C TRP A 116 1.298 -2.659 0.227 1.00 0.00 C ATOM 1809 O TRP A 116 1.073 -3.714 -0.357 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.551 -1.609 1.583 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.613 -2.204 0.709 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -1.989 -1.740 -0.504 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.369 -3.438 0.913 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -2.901 -2.606 -1.068 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -3.142 -3.692 -0.258 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.458 -4.387 1.955 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -3.927 -4.845 -0.404 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -3.270 -5.531 1.832 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -3.990 -5.772 0.649 1.00 0.00 C ATOM 0 H TRP A 116 1.463 -0.869 2.790 1.00 0.00 H new ATOM 0 HA TRP A 116 0.491 -3.419 2.052 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -0.942 -1.499 2.594 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.313 -0.608 1.223 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.630 -0.830 -0.961 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.343 -2.460 -1.975 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.893 -4.233 2.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.477 -5.018 -1.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -3.340 -6.229 2.653 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.589 -6.666 0.550 1.00 0.00 H new ATOM 1830 N LEU A 117 2.046 -1.697 -0.320 1.00 0.00 N ATOM 1831 CA LEU A 117 2.626 -1.808 -1.653 1.00 0.00 C ATOM 1832 C LEU A 117 3.682 -2.916 -1.704 1.00 0.00 C ATOM 1833 O LEU A 117 3.757 -3.607 -2.719 1.00 0.00 O ATOM 1834 CB LEU A 117 3.206 -0.459 -2.110 1.00 0.00 C ATOM 1835 CG LEU A 117 2.128 0.589 -2.463 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.773 1.974 -2.577 1.00 0.00 C ATOM 1837 CD2 LEU A 117 1.392 0.256 -3.768 1.00 0.00 C ATOM 0 H LEU A 117 2.264 -0.820 0.153 1.00 0.00 H new ATOM 0 HA LEU A 117 1.831 -2.081 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.843 -0.061 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.841 -0.622 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 117 1.391 0.579 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.010 2.711 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.237 2.239 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.532 1.959 -3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.645 1.024 -3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.107 0.220 -4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.900 -0.712 -3.672 1.00 0.00 H new ATOM 1849 N TYR A 118 4.456 -3.140 -0.634 1.00 0.00 N ATOM 1850 CA TYR A 118 5.374 -4.278 -0.568 1.00 0.00 C ATOM 1851 C TYR A 118 4.569 -5.579 -0.656 1.00 0.00 C ATOM 1852 O TYR A 118 4.823 -6.420 -1.515 1.00 0.00 O ATOM 1853 CB TYR A 118 6.207 -4.268 0.731 1.00 0.00 C ATOM 1854 CG TYR A 118 6.969 -3.001 1.087 1.00 0.00 C ATOM 1855 CD1 TYR A 118 7.512 -2.158 0.095 1.00 0.00 C ATOM 1856 CD2 TYR A 118 7.141 -2.673 2.447 1.00 0.00 C ATOM 1857 CE1 TYR A 118 8.197 -0.985 0.461 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.810 -1.495 2.821 1.00 0.00 C ATOM 1859 CZ TYR A 118 8.345 -0.646 1.825 1.00 0.00 C ATOM 1860 OH TYR A 118 9.011 0.495 2.165 1.00 0.00 O ATOM 0 H TYR A 118 4.463 -2.547 0.196 1.00 0.00 H new ATOM 0 HA TYR A 118 6.068 -4.204 -1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.536 -4.496 1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.927 -5.084 0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.402 -2.414 -0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.755 -3.334 3.209 1.00 0.00 H new ATOM 0 HE1 TYR A 118 8.611 -0.342 -0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.915 -1.239 3.865 1.00 0.00 H new ATOM 0 HH TYR A 118 9.026 0.587 3.141 1.00 0.00 H new ATOM 1870 N TRP A 119 3.563 -5.727 0.209 1.00 0.00 N ATOM 1871 CA TRP A 119 2.705 -6.903 0.268 1.00 0.00 C ATOM 1872 C TRP A 119 2.012 -7.153 -1.080 1.00 0.00 C ATOM 1873 O TRP A 119 1.986 -8.287 -1.564 1.00 0.00 O ATOM 1874 CB TRP A 119 1.724 -6.682 1.427 1.00 0.00 C ATOM 1875 CG TRP A 119 0.534 -7.579 1.506 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -0.668 -7.310 0.954 1.00 0.00 C ATOM 1877 CD2 TRP A 119 0.383 -8.867 2.180 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -1.559 -8.308 1.271 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -0.974 -9.291 2.041 1.00 0.00 C ATOM 1880 CE3 TRP A 119 1.252 -9.723 2.894 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -1.445 -10.495 2.591 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 0.788 -10.930 3.454 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.557 -11.317 3.305 1.00 0.00 C ATOM 0 H TRP A 119 3.321 -5.017 0.900 1.00 0.00 H new ATOM 0 HA TRP A 119 3.281 -7.809 0.455 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.279 -6.778 2.360 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.367 -5.654 1.373 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.896 -6.442 0.354 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -2.534 -8.320 0.973 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.289 -9.447 3.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -2.478 -10.785 2.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 1.470 -11.563 4.002 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.905 -12.243 3.738 1.00 0.00 H new ATOM 1894 N LEU A 120 1.517 -6.095 -1.727 1.00 0.00 N ATOM 1895 CA LEU A 120 0.894 -6.134 -3.041 1.00 0.00 C ATOM 1896 C LEU A 120 1.871 -6.670 -4.083 1.00 0.00 C ATOM 1897 O LEU A 120 1.552 -7.628 -4.787 1.00 0.00 O ATOM 1898 CB LEU A 120 0.430 -4.714 -3.401 1.00 0.00 C ATOM 1899 CG LEU A 120 -0.257 -4.600 -4.772 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -1.605 -5.327 -4.776 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -0.445 -3.115 -5.091 1.00 0.00 C ATOM 0 H LEU A 120 1.543 -5.156 -1.331 1.00 0.00 H new ATOM 0 HA LEU A 120 0.035 -6.805 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.259 -4.364 -2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.292 -4.047 -3.383 1.00 0.00 H new ATOM 0 HG LEU A 120 0.365 -5.071 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.068 -5.230 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.450 -6.382 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.258 -4.887 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.931 -3.010 -6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.065 -2.653 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.527 -2.623 -5.117 1.00 0.00 H new ATOM 1913 N ALA A 121 3.068 -6.081 -4.160 1.00 0.00 N ATOM 1914 CA ALA A 121 4.091 -6.474 -5.121 1.00 0.00 C ATOM 1915 C ALA A 121 4.559 -7.920 -4.906 1.00 0.00 C ATOM 1916 O ALA A 121 5.061 -8.543 -5.843 1.00 0.00 O ATOM 1917 CB ALA A 121 5.271 -5.499 -5.036 1.00 0.00 C ATOM 0 H ALA A 121 3.352 -5.313 -3.551 1.00 0.00 H new ATOM 0 HA ALA A 121 3.656 -6.431 -6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 121 6.037 -5.791 -5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 121 4.927 -4.490 -5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 121 5.690 -5.521 -4.030 1.00 0.00 H new ATOM 1923 N ARG A 122 4.386 -8.473 -3.699 1.00 0.00 N ATOM 1924 CA ARG A 122 4.757 -9.852 -3.388 1.00 0.00 C ATOM 1925 C ARG A 122 3.711 -10.866 -3.874 1.00 0.00 C ATOM 1926 O ARG A 122 3.952 -12.068 -3.763 1.00 0.00 O ATOM 1927 CB ARG A 122 5.072 -9.966 -1.887 1.00 0.00 C ATOM 1928 CG ARG A 122 6.099 -11.078 -1.604 1.00 0.00 C ATOM 1929 CD ARG A 122 6.667 -10.965 -0.189 1.00 0.00 C ATOM 1930 NE ARG A 122 5.639 -11.237 0.824 1.00 0.00 N ATOM 1931 CZ ARG A 122 5.781 -11.005 2.135 1.00 0.00 C ATOM 1932 NH1 ARG A 122 6.864 -10.401 2.603 1.00 0.00 N ATOM 1933 NH2 ARG A 122 4.839 -11.386 2.989 1.00 0.00 N ATOM 0 H ARG A 122 3.982 -7.970 -2.909 1.00 0.00 H new ATOM 0 HA ARG A 122 5.660 -10.111 -3.941 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.457 -9.014 -1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.153 -10.170 -1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 122 5.627 -12.052 -1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.910 -11.019 -2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.492 -11.667 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.074 -9.965 -0.037 1.00 0.00 H new ATOM 0 HE ARG A 122 4.753 -11.631 0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 122 7.601 -10.107 1.962 1.00 0.00 H new ATOM 0 HH12 ARG A 122 6.960 -10.230 3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.002 -11.858 2.648 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.952 -11.207 3.987 1.00 0.00 H new ATOM 1947 N GLY A 123 2.583 -10.422 -4.442 1.00 0.00 N ATOM 1948 CA GLY A 123 1.595 -11.314 -5.041 1.00 0.00 C ATOM 1949 C GLY A 123 0.869 -12.130 -3.974 1.00 0.00 C ATOM 1950 O GLY A 123 0.787 -13.358 -4.084 1.00 0.00 O ATOM 0 H GLY A 123 2.334 -9.434 -4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 123 0.872 -10.730 -5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.087 -11.986 -5.744 1.00 0.00 H new ATOM 1954 N TYR A 124 0.408 -11.451 -2.918 1.00 0.00 N ATOM 1955 CA TYR A 124 -0.290 -12.052 -1.785 1.00 0.00 C ATOM 1956 C TYR A 124 -1.526 -12.859 -2.202 1.00 0.00 C ATOM 1957 O TYR A 124 -2.072 -12.680 -3.296 1.00 0.00 O ATOM 1958 CB TYR A 124 -0.690 -10.969 -0.778 1.00 0.00 C ATOM 1959 CG TYR A 124 -1.843 -10.076 -1.216 1.00 0.00 C ATOM 1960 CD1 TYR A 124 -3.175 -10.414 -0.903 1.00 0.00 C ATOM 1961 CD2 TYR A 124 -1.577 -8.875 -1.897 1.00 0.00 C ATOM 1962 CE1 TYR A 124 -4.231 -9.576 -1.297 1.00 0.00 C ATOM 1963 CE2 TYR A 124 -2.627 -8.014 -2.265 1.00 0.00 C ATOM 1964 CZ TYR A 124 -3.967 -8.370 -1.982 1.00 0.00 C ATOM 1965 OH TYR A 124 -5.009 -7.573 -2.351 1.00 0.00 O ATOM 0 H TYR A 124 0.515 -10.441 -2.829 1.00 0.00 H new ATOM 0 HA TYR A 124 0.406 -12.752 -1.323 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -0.960 -11.450 0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 124 0.179 -10.342 -0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -3.385 -11.322 -0.357 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -0.558 -8.611 -2.140 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -5.250 -9.856 -1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -2.410 -7.081 -2.764 1.00 0.00 H new ATOM 0 HH TYR A 124 -5.114 -6.849 -1.699 1.00 0.00 H new ATOM 1975 N LYS A 125 -1.988 -13.731 -1.294 1.00 0.00 N ATOM 1976 CA LYS A 125 -3.020 -14.735 -1.582 1.00 0.00 C ATOM 1977 C LYS A 125 -4.035 -14.877 -0.436 1.00 0.00 C ATOM 1978 O LYS A 125 -4.860 -15.789 -0.491 1.00 0.00 O ATOM 1979 CB LYS A 125 -2.351 -16.090 -1.918 1.00 0.00 C ATOM 1980 CG LYS A 125 -1.170 -15.954 -2.896 1.00 0.00 C ATOM 1981 CD LYS A 125 -0.653 -17.291 -3.440 1.00 0.00 C ATOM 1982 CE LYS A 125 0.723 -17.139 -4.116 1.00 0.00 C ATOM 1983 NZ LYS A 125 0.768 -16.073 -5.152 1.00 0.00 N ATOM 0 H LYS A 125 -1.652 -13.759 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 125 -3.588 -14.396 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -2.000 -16.554 -0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -3.096 -16.760 -2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.476 -15.327 -3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.352 -15.438 -2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.580 -18.011 -2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.368 -17.693 -4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.471 -16.923 -3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 125 1.000 -18.089 -4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 1.622 -16.190 -5.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.075 -16.141 -5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 0.789 -15.141 -4.691 1.00 0.00 H new ATOM 1997 N PHE A 126 -3.992 -13.976 0.561 1.00 0.00 N ATOM 1998 CA PHE A 126 -4.720 -14.058 1.828 1.00 0.00 C ATOM 1999 C PHE A 126 -4.643 -15.488 2.377 1.00 0.00 C ATOM 2000 O PHE A 126 -5.659 -16.211 2.431 1.00 0.00 O ATOM 2001 CB PHE A 126 -6.152 -13.494 1.704 1.00 0.00 C ATOM 2002 CG PHE A 126 -6.300 -11.991 1.499 1.00 0.00 C ATOM 2003 CD1 PHE A 126 -5.508 -11.071 2.219 1.00 0.00 C ATOM 2004 CD2 PHE A 126 -7.304 -11.503 0.639 1.00 0.00 C ATOM 2005 CE1 PHE A 126 -5.712 -9.687 2.073 1.00 0.00 C ATOM 2006 CE2 PHE A 126 -7.511 -10.119 0.496 1.00 0.00 C ATOM 2007 CZ PHE A 126 -6.715 -9.209 1.212 1.00 0.00 C ATOM 2008 OXT PHE A 126 -3.526 -15.860 2.794 1.00 0.00 O ATOM 0 H PHE A 126 -3.420 -13.134 0.497 1.00 0.00 H new ATOM 0 HA PHE A 126 -4.242 -13.415 2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -6.641 -13.997 0.870 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -6.700 -13.766 2.606 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -4.740 -11.432 2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -7.919 -12.197 0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -5.097 -8.990 2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -8.283 -9.755 -0.165 1.00 0.00 H new ATOM 0 HZ PHE A 126 -6.873 -8.146 1.101 1.00 0.00 H new TER 2018 PHE A 126 HETATM 2019 CA CA A 127 -7.165 5.616 11.962 1.00 0.00 CA HETATM 2020 CA CA A 128 -9.460 -18.436 11.729 1.00 0.00 CA