USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 709 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD Set 1.1: A 77 THR OG1 : rot 68:sc= 0.0251 USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0.0247 USER MOD Set 2.1: A 57 ASN : amide:sc= -0.269 K(o=-0.36,f=-1.8) USER MOD Set 2.2: A 68 TYR OH : rot 30:sc= -0.0955 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= -0.0634 USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 1.77 USER MOD Single : A 4 GLN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -135:sc= -1.2 (180deg=-2.18) USER MOD Single : A 9 THR OG1 : rot -77:sc= -2.83! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 27:sc= 0.179 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 62:sc= 0.317 USER MOD Single : A 33 MET CE :methyl -113:sc= -2.57 (180deg=-4.96!) USER MOD Single : A 34 ASN : amide:sc= -5.39! C(o=-5.4!,f=-14!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.91! C(o=-2.9!,f=-8.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 58 THR OG1 : rot -62:sc= 1.18 USER MOD Single : A 59 LYS NZ :NH3+ -175:sc= 0.0307 (180deg=0.0194) USER MOD Single : A 66 SER OG : rot 10:sc= 1 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 70:sc= -1.27 USER MOD Single : A 78 TYR OH : rot 35:sc= -1.87! USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.442 USER MOD Single : A 83 THR OG1 : rot -170:sc= -0.736 USER MOD Single : A 90 MET CE :methyl 139:sc= -5.03! (180deg=-6.57!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.697 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.888 -9.945 0.154 1.00 0.00 N ATOM 2 CA ALA A 1 -12.885 -10.174 -1.280 1.00 0.00 C ATOM 3 C ALA A 1 -12.817 -8.829 -2.008 1.00 0.00 C ATOM 4 O ALA A 1 -13.618 -7.935 -1.741 1.00 0.00 O ATOM 5 CB ALA A 1 -14.122 -10.986 -1.670 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.934 -10.857 0.651 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.018 -9.445 0.428 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.714 -9.368 0.412 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.009 -10.752 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.120 -11.158 -2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.108 -11.944 -1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.021 -10.436 -1.392 1.00 0.00 H new ATOM 11 N SER A 2 -11.854 -8.729 -2.911 1.00 0.00 N ATOM 12 CA SER A 2 -11.671 -7.509 -3.679 1.00 0.00 C ATOM 13 C SER A 2 -11.659 -6.299 -2.742 1.00 0.00 C ATOM 14 O SER A 2 -12.706 -5.716 -2.462 1.00 0.00 O ATOM 15 CB SER A 2 -12.767 -7.353 -4.734 1.00 0.00 C ATOM 16 OG SER A 2 -14.041 -7.101 -4.147 1.00 0.00 O ATOM 0 H SER A 2 -11.191 -9.473 -3.129 1.00 0.00 H new ATOM 0 HA SER A 2 -10.713 -7.570 -4.196 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.509 -6.535 -5.406 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.819 -8.258 -5.339 1.00 0.00 H new ATOM 0 HG SER A 2 -13.926 -6.874 -3.201 1.00 0.00 H new ATOM 22 N VAL A 3 -10.464 -5.958 -2.284 1.00 0.00 N ATOM 23 CA VAL A 3 -10.303 -4.827 -1.384 1.00 0.00 C ATOM 24 C VAL A 3 -9.456 -3.753 -2.070 1.00 0.00 C ATOM 25 O VAL A 3 -8.895 -3.988 -3.139 1.00 0.00 O ATOM 26 CB VAL A 3 -9.710 -5.298 -0.054 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.718 -6.140 0.728 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.406 -6.068 -0.277 1.00 0.00 C ATOM 0 H VAL A 3 -9.598 -6.444 -2.518 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.270 -4.380 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.479 -4.415 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.271 -6.462 1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.608 -5.545 0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.995 -7.015 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.006 -6.391 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.601 -6.940 -0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.682 -5.421 -0.773 1.00 0.00 H new ATOM 38 N GLN A 4 -9.391 -2.597 -1.427 1.00 0.00 N ATOM 39 CA GLN A 4 -8.623 -1.485 -1.961 1.00 0.00 C ATOM 40 C GLN A 4 -7.819 -0.811 -0.846 1.00 0.00 C ATOM 41 O GLN A 4 -8.085 -1.029 0.334 1.00 0.00 O ATOM 42 CB GLN A 4 -9.533 -0.477 -2.666 1.00 0.00 C ATOM 43 CG GLN A 4 -10.700 -0.069 -1.765 1.00 0.00 C ATOM 44 CD GLN A 4 -11.934 0.292 -2.594 1.00 0.00 C ATOM 45 OE1 GLN A 4 -11.885 1.099 -3.509 1.00 0.00 O ATOM 46 NE2 GLN A 4 -13.040 -0.349 -2.226 1.00 0.00 N ATOM 0 H GLN A 4 -9.858 -2.406 -0.540 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.925 -1.875 -2.702 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.957 0.406 -2.944 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.916 -0.911 -3.589 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.941 -0.886 -1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.409 0.783 -1.150 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.011 -1.012 -1.451 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.917 -0.178 -2.719 1.00 0.00 H new ATOM 55 N ILE A 5 -6.852 -0.006 -1.263 1.00 0.00 N ATOM 56 CA ILE A 5 -6.007 0.700 -0.315 1.00 0.00 C ATOM 57 C ILE A 5 -6.078 2.202 -0.596 1.00 0.00 C ATOM 58 O ILE A 5 -5.695 2.654 -1.675 1.00 0.00 O ATOM 59 CB ILE A 5 -4.585 0.136 -0.339 1.00 0.00 C ATOM 60 CG1 ILE A 5 -4.492 -1.153 0.479 1.00 0.00 C ATOM 61 CG2 ILE A 5 -3.572 1.184 0.125 1.00 0.00 C ATOM 62 CD1 ILE A 5 -4.778 -0.886 1.958 1.00 0.00 C ATOM 0 H ILE A 5 -6.635 0.173 -2.244 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.367 0.548 0.702 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.336 -0.119 -1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.203 -1.884 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.498 -1.586 0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.569 0.758 0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.616 2.050 -0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.808 1.493 1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.705 -1.819 2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.051 -0.173 2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.782 -0.476 2.066 1.00 0.00 H new ATOM 74 N LYS A 6 -6.571 2.935 0.392 1.00 0.00 N ATOM 75 CA LYS A 6 -6.697 4.377 0.264 1.00 0.00 C ATOM 76 C LYS A 6 -5.517 5.051 0.966 1.00 0.00 C ATOM 77 O LYS A 6 -5.170 4.692 2.089 1.00 0.00 O ATOM 78 CB LYS A 6 -8.063 4.842 0.771 1.00 0.00 C ATOM 79 CG LYS A 6 -8.996 5.177 -0.394 1.00 0.00 C ATOM 80 CD LYS A 6 -10.366 5.631 0.114 1.00 0.00 C ATOM 81 CE LYS A 6 -11.415 4.536 -0.082 1.00 0.00 C ATOM 82 NZ LYS A 6 -12.444 4.607 0.979 1.00 0.00 N ATOM 0 H LYS A 6 -6.888 2.557 1.285 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.655 4.673 -0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.511 4.062 1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.940 5.719 1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.552 5.963 -1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.113 4.302 -1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.298 5.889 1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.673 6.533 -0.416 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.884 4.645 -1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.935 3.558 -0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.148 3.856 0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.994 4.481 1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.914 5.534 0.945 1.00 0.00 H new ATOM 96 N MET A 7 -4.932 6.019 0.273 1.00 0.00 N ATOM 97 CA MET A 7 -3.799 6.747 0.816 1.00 0.00 C ATOM 98 C MET A 7 -4.214 8.148 1.272 1.00 0.00 C ATOM 99 O MET A 7 -4.339 9.059 0.455 1.00 0.00 O ATOM 100 CB MET A 7 -2.706 6.861 -0.250 1.00 0.00 C ATOM 101 CG MET A 7 -1.879 5.575 -0.325 1.00 0.00 C ATOM 102 SD MET A 7 -1.256 5.347 -1.982 1.00 0.00 S ATOM 103 CE MET A 7 -2.394 4.106 -2.573 1.00 0.00 C ATOM 0 H MET A 7 -5.222 6.315 -0.659 1.00 0.00 H new ATOM 0 HA MET A 7 -3.421 6.201 1.680 1.00 0.00 H new ATOM 0 HB2 MET A 7 -3.159 7.064 -1.220 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.055 7.704 -0.020 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.050 5.624 0.381 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.492 4.721 -0.037 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.842 3.326 -3.097 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.927 3.669 -1.728 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.110 4.564 -3.255 1.00 0.00 H new ATOM 113 N GLY A 8 -4.415 8.275 2.576 1.00 0.00 N ATOM 114 CA GLY A 8 -4.814 9.549 3.149 1.00 0.00 C ATOM 115 C GLY A 8 -6.231 9.473 3.721 1.00 0.00 C ATOM 116 O GLY A 8 -7.085 8.772 3.182 1.00 0.00 O ATOM 0 H GLY A 8 -4.309 7.517 3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.115 9.833 3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.767 10.326 2.386 1.00 0.00 H new ATOM 120 N THR A 9 -6.436 10.205 4.807 1.00 0.00 N ATOM 121 CA THR A 9 -7.735 10.229 5.459 1.00 0.00 C ATOM 122 C THR A 9 -8.418 11.580 5.235 1.00 0.00 C ATOM 123 O THR A 9 -7.760 12.565 4.905 1.00 0.00 O ATOM 124 CB THR A 9 -7.530 9.888 6.935 1.00 0.00 C ATOM 125 OG1 THR A 9 -6.315 10.550 7.279 1.00 0.00 O ATOM 126 CG2 THR A 9 -7.221 8.405 7.157 1.00 0.00 C ATOM 0 H THR A 9 -5.725 10.786 5.251 1.00 0.00 H new ATOM 0 HA THR A 9 -8.407 9.485 5.031 1.00 0.00 H new ATOM 0 HB THR A 9 -8.423 10.161 7.497 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.554 10.040 6.930 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.084 8.217 8.222 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.049 7.801 6.785 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.309 8.139 6.622 1.00 0.00 H new ATOM 134 N ASP A 10 -9.729 11.582 5.427 1.00 0.00 N ATOM 135 CA ASP A 10 -10.508 12.796 5.251 1.00 0.00 C ATOM 136 C ASP A 10 -10.004 13.866 6.222 1.00 0.00 C ATOM 137 O ASP A 10 -10.307 15.047 6.061 1.00 0.00 O ATOM 138 CB ASP A 10 -11.988 12.548 5.550 1.00 0.00 C ATOM 139 CG ASP A 10 -12.957 13.511 4.860 1.00 0.00 C ATOM 140 OD1 ASP A 10 -12.571 14.690 4.706 1.00 0.00 O ATOM 141 OD2 ASP A 10 -14.061 13.047 4.501 1.00 0.00 O ATOM 0 H ASP A 10 -10.271 10.763 5.702 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.397 13.121 4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.238 11.530 5.252 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.141 12.612 6.627 1.00 0.00 H new ATOM 146 N LYS A 11 -9.242 13.414 7.206 1.00 0.00 N ATOM 147 CA LYS A 11 -8.693 14.318 8.204 1.00 0.00 C ATOM 148 C LYS A 11 -7.321 14.809 7.737 1.00 0.00 C ATOM 149 O LYS A 11 -6.396 14.931 8.540 1.00 0.00 O ATOM 150 CB LYS A 11 -8.672 13.649 9.579 1.00 0.00 C ATOM 151 CG LYS A 11 -8.458 14.682 10.687 1.00 0.00 C ATOM 152 CD LYS A 11 -7.867 14.031 11.939 1.00 0.00 C ATOM 153 CE LYS A 11 -8.970 13.612 12.912 1.00 0.00 C ATOM 154 NZ LYS A 11 -8.535 12.450 13.719 1.00 0.00 N ATOM 0 H LYS A 11 -8.991 12.434 7.335 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.328 15.197 8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.611 13.121 9.745 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.877 12.904 9.613 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.791 15.468 10.332 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.407 15.157 10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.277 13.160 11.656 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.189 14.729 12.431 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.220 14.445 13.569 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.875 13.360 12.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.295 12.178 14.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.319 11.651 13.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.684 12.703 14.261 1.00 0.00 H new ATOM 168 N TYR A 12 -7.232 15.079 6.444 1.00 0.00 N ATOM 169 CA TYR A 12 -5.988 15.555 5.862 1.00 0.00 C ATOM 170 C TYR A 12 -4.784 14.856 6.496 1.00 0.00 C ATOM 171 O TYR A 12 -3.701 15.435 6.585 1.00 0.00 O ATOM 172 CB TYR A 12 -5.920 17.050 6.177 1.00 0.00 C ATOM 173 CG TYR A 12 -6.064 17.952 4.949 1.00 0.00 C ATOM 174 CD1 TYR A 12 -7.246 17.967 4.238 1.00 0.00 C ATOM 175 CD2 TYR A 12 -5.011 18.751 4.553 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.382 18.815 3.083 1.00 0.00 C ATOM 177 CE2 TYR A 12 -5.146 19.600 3.397 1.00 0.00 C ATOM 178 CZ TYR A 12 -6.325 19.589 2.719 1.00 0.00 C ATOM 179 OH TYR A 12 -6.453 20.391 1.628 1.00 0.00 O ATOM 0 H TYR A 12 -8.001 14.977 5.782 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.962 15.352 4.791 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.706 17.297 6.890 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.969 17.265 6.664 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.070 17.342 4.548 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.086 18.740 5.110 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.302 18.836 2.518 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.330 20.231 3.076 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.620 20.887 1.487 1.00 0.00 H new ATOM 189 N ALA A 13 -5.012 13.623 6.923 1.00 0.00 N ATOM 190 CA ALA A 13 -3.959 12.840 7.546 1.00 0.00 C ATOM 191 C ALA A 13 -3.451 11.794 6.553 1.00 0.00 C ATOM 192 O ALA A 13 -4.200 10.912 6.136 1.00 0.00 O ATOM 193 CB ALA A 13 -4.487 12.210 8.838 1.00 0.00 C ATOM 0 H ALA A 13 -5.911 13.147 6.850 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.116 13.476 7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.697 11.622 9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.808 12.996 9.522 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.333 11.562 8.608 1.00 0.00 H new ATOM 199 N PRO A 14 -2.146 11.929 6.192 1.00 0.00 N ATOM 200 CA PRO A 14 -1.529 11.006 5.256 1.00 0.00 C ATOM 201 C PRO A 14 -1.240 9.659 5.922 1.00 0.00 C ATOM 202 O PRO A 14 -0.204 9.488 6.563 1.00 0.00 O ATOM 203 CB PRO A 14 -0.271 11.713 4.777 1.00 0.00 C ATOM 204 CG PRO A 14 0.013 12.797 5.804 1.00 0.00 C ATOM 205 CD PRO A 14 -1.228 12.961 6.666 1.00 0.00 C ATOM 0 HA PRO A 14 -2.179 10.764 4.415 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.564 11.017 4.703 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.417 12.142 3.786 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.871 12.525 6.419 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.260 13.736 5.309 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.996 12.830 7.723 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.659 13.956 6.555 1.00 0.00 H new ATOM 213 N LEU A 15 -2.176 8.737 5.749 1.00 0.00 N ATOM 214 CA LEU A 15 -2.035 7.411 6.325 1.00 0.00 C ATOM 215 C LEU A 15 -2.740 6.392 5.427 1.00 0.00 C ATOM 216 O LEU A 15 -3.693 6.730 4.728 1.00 0.00 O ATOM 217 CB LEU A 15 -2.530 7.400 7.773 1.00 0.00 C ATOM 218 CG LEU A 15 -3.992 7.802 7.985 1.00 0.00 C ATOM 219 CD1 LEU A 15 -4.861 6.575 8.265 1.00 0.00 C ATOM 220 CD2 LEU A 15 -4.116 8.856 9.086 1.00 0.00 C ATOM 0 H LEU A 15 -3.035 8.882 5.218 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.984 7.125 6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.387 6.398 8.177 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.901 8.072 8.356 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.360 8.254 7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.895 6.887 8.412 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.806 5.889 7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.503 6.073 9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.164 9.124 9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.725 8.454 10.021 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.547 9.743 8.807 1.00 0.00 H new ATOM 232 N TYR A 16 -2.243 5.165 5.477 1.00 0.00 N ATOM 233 CA TYR A 16 -2.813 4.094 4.677 1.00 0.00 C ATOM 234 C TYR A 16 -4.103 3.565 5.307 1.00 0.00 C ATOM 235 O TYR A 16 -4.126 3.223 6.489 1.00 0.00 O ATOM 236 CB TYR A 16 -1.769 2.975 4.666 1.00 0.00 C ATOM 237 CG TYR A 16 -0.783 3.055 3.498 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.247 3.273 2.217 1.00 0.00 C ATOM 239 CD2 TYR A 16 0.570 2.908 3.727 1.00 0.00 C ATOM 240 CE1 TYR A 16 -0.319 3.348 1.118 1.00 0.00 C ATOM 241 CE2 TYR A 16 1.498 2.984 2.628 1.00 0.00 C ATOM 242 CZ TYR A 16 1.007 3.200 1.378 1.00 0.00 C ATOM 243 OH TYR A 16 1.884 3.271 0.340 1.00 0.00 O ATOM 0 H TYR A 16 -1.452 4.889 6.059 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.055 4.450 3.676 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.211 3.004 5.602 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.282 2.014 4.630 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.306 3.387 2.038 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.933 2.736 4.730 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.669 3.518 0.110 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.559 2.872 2.793 1.00 0.00 H new ATOM 0 HH TYR A 16 1.504 3.827 -0.372 1.00 0.00 H new ATOM 253 N GLU A 17 -5.145 3.515 4.490 1.00 0.00 N ATOM 254 CA GLU A 17 -6.436 3.034 4.953 1.00 0.00 C ATOM 255 C GLU A 17 -7.009 2.017 3.964 1.00 0.00 C ATOM 256 O GLU A 17 -6.989 2.242 2.755 1.00 0.00 O ATOM 257 CB GLU A 17 -7.408 4.196 5.170 1.00 0.00 C ATOM 258 CG GLU A 17 -8.451 3.846 6.233 1.00 0.00 C ATOM 259 CD GLU A 17 -9.305 5.067 6.586 1.00 0.00 C ATOM 260 OE1 GLU A 17 -9.983 5.570 5.664 1.00 0.00 O ATOM 261 OE2 GLU A 17 -9.258 5.468 7.768 1.00 0.00 O ATOM 0 H GLU A 17 -5.122 3.799 3.511 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.294 2.538 5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.856 5.085 5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.907 4.438 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.091 3.043 5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.953 3.475 7.129 1.00 0.00 H new ATOM 268 N PRO A 18 -7.519 0.890 4.530 1.00 0.00 N ATOM 269 CA PRO A 18 -7.503 0.703 5.971 1.00 0.00 C ATOM 270 C PRO A 18 -6.096 0.355 6.462 1.00 0.00 C ATOM 271 O PRO A 18 -5.365 -0.379 5.798 1.00 0.00 O ATOM 272 CB PRO A 18 -8.514 -0.401 6.235 1.00 0.00 C ATOM 273 CG PRO A 18 -8.716 -1.109 4.905 1.00 0.00 C ATOM 274 CD PRO A 18 -8.122 -0.231 3.815 1.00 0.00 C ATOM 0 HA PRO A 18 -7.770 1.608 6.516 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.148 -1.093 6.994 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.453 0.010 6.605 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.232 -2.085 4.915 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.777 -1.281 4.721 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.379 -0.774 3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.889 0.109 3.119 1.00 0.00 H new ATOM 282 N LYS A 19 -5.758 0.898 7.623 1.00 0.00 N ATOM 283 CA LYS A 19 -4.452 0.654 8.211 1.00 0.00 C ATOM 284 C LYS A 19 -4.127 -0.838 8.119 1.00 0.00 C ATOM 285 O LYS A 19 -2.988 -1.212 7.842 1.00 0.00 O ATOM 286 CB LYS A 19 -4.394 1.210 9.636 1.00 0.00 C ATOM 287 CG LYS A 19 -2.950 1.479 10.061 1.00 0.00 C ATOM 288 CD LYS A 19 -2.657 2.980 10.090 1.00 0.00 C ATOM 289 CE LYS A 19 -2.204 3.423 11.484 1.00 0.00 C ATOM 290 NZ LYS A 19 -1.365 4.639 11.393 1.00 0.00 N ATOM 0 H LYS A 19 -6.366 1.506 8.172 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.678 1.184 7.655 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.972 2.132 9.694 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.854 0.502 10.325 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.772 1.051 11.048 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.266 0.985 9.371 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.884 3.217 9.360 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.550 3.534 9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.074 3.620 12.110 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.642 2.621 11.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.066 4.927 12.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.526 4.439 10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.913 5.407 10.956 1.00 0.00 H new ATOM 304 N ALA A 20 -5.147 -1.649 8.358 1.00 0.00 N ATOM 305 CA ALA A 20 -4.984 -3.092 8.306 1.00 0.00 C ATOM 306 C ALA A 20 -5.894 -3.665 7.218 1.00 0.00 C ATOM 307 O ALA A 20 -7.022 -3.207 7.042 1.00 0.00 O ATOM 308 CB ALA A 20 -5.274 -3.689 9.684 1.00 0.00 C ATOM 0 H ALA A 20 -6.090 -1.334 8.588 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.958 -3.353 8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.152 -4.771 9.645 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.581 -3.272 10.414 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.296 -3.450 9.976 1.00 0.00 H new ATOM 314 N LEU A 21 -5.369 -4.658 6.515 1.00 0.00 N ATOM 315 CA LEU A 21 -6.121 -5.299 5.449 1.00 0.00 C ATOM 316 C LEU A 21 -5.813 -6.797 5.441 1.00 0.00 C ATOM 317 O LEU A 21 -4.665 -7.199 5.626 1.00 0.00 O ATOM 318 CB LEU A 21 -5.847 -4.609 4.111 1.00 0.00 C ATOM 319 CG LEU A 21 -6.172 -5.423 2.857 1.00 0.00 C ATOM 320 CD1 LEU A 21 -7.678 -5.654 2.727 1.00 0.00 C ATOM 321 CD2 LEU A 21 -5.583 -4.765 1.608 1.00 0.00 C ATOM 0 H LEU A 21 -4.432 -5.034 6.663 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.192 -5.195 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.421 -3.683 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.793 -4.332 4.077 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.704 -6.403 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.881 -6.235 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.039 -6.198 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.189 -4.693 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.829 -5.364 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.000 -3.765 1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.500 -4.697 1.709 1.00 0.00 H new ATOM 333 N SER A 22 -6.858 -7.583 5.228 1.00 0.00 N ATOM 334 CA SER A 22 -6.713 -9.028 5.195 1.00 0.00 C ATOM 335 C SER A 22 -7.383 -9.593 3.940 1.00 0.00 C ATOM 336 O SER A 22 -8.427 -9.102 3.515 1.00 0.00 O ATOM 337 CB SER A 22 -7.310 -9.670 6.449 1.00 0.00 C ATOM 338 OG SER A 22 -6.925 -11.036 6.585 1.00 0.00 O ATOM 0 H SER A 22 -7.809 -7.246 5.077 1.00 0.00 H new ATOM 0 HA SER A 22 -5.649 -9.264 5.169 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.988 -9.113 7.329 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.397 -9.602 6.408 1.00 0.00 H new ATOM 0 HG SER A 22 -7.325 -11.409 7.398 1.00 0.00 H new ATOM 344 N ILE A 23 -6.753 -10.616 3.382 1.00 0.00 N ATOM 345 CA ILE A 23 -7.274 -11.253 2.184 1.00 0.00 C ATOM 346 C ILE A 23 -6.833 -12.718 2.158 1.00 0.00 C ATOM 347 O ILE A 23 -6.219 -13.202 3.107 1.00 0.00 O ATOM 348 CB ILE A 23 -6.867 -10.465 0.938 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.356 -10.541 0.712 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.362 -9.020 1.017 1.00 0.00 C ATOM 351 CD1 ILE A 23 -4.998 -10.176 -0.731 1.00 0.00 C ATOM 0 H ILE A 23 -5.886 -11.020 3.737 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.364 -11.248 2.193 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.346 -10.922 0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.848 -9.864 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.002 -11.547 0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.059 -8.482 0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.449 -9.012 1.096 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.931 -8.535 1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.918 -10.238 -0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.489 -10.869 -1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.332 -9.160 -0.943 1.00 0.00 H new ATOM 363 N SER A 24 -7.163 -13.382 1.060 1.00 0.00 N ATOM 364 CA SER A 24 -6.809 -14.782 0.896 1.00 0.00 C ATOM 365 C SER A 24 -5.868 -14.948 -0.299 1.00 0.00 C ATOM 366 O SER A 24 -5.470 -13.964 -0.921 1.00 0.00 O ATOM 367 CB SER A 24 -8.057 -15.648 0.714 1.00 0.00 C ATOM 368 OG SER A 24 -7.731 -17.026 0.555 1.00 0.00 O ATOM 0 H SER A 24 -7.672 -12.976 0.275 1.00 0.00 H new ATOM 0 HA SER A 24 -6.299 -15.114 1.800 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.711 -15.527 1.577 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.613 -15.304 -0.158 1.00 0.00 H new ATOM 0 HG SER A 24 -7.276 -17.350 1.360 1.00 0.00 H new ATOM 374 N ALA A 25 -5.542 -16.199 -0.584 1.00 0.00 N ATOM 375 CA ALA A 25 -4.655 -16.506 -1.693 1.00 0.00 C ATOM 376 C ALA A 25 -5.453 -16.487 -2.998 1.00 0.00 C ATOM 377 O ALA A 25 -6.179 -17.433 -3.300 1.00 0.00 O ATOM 378 CB ALA A 25 -3.975 -17.855 -1.446 1.00 0.00 C ATOM 0 H ALA A 25 -5.876 -17.012 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.869 -15.755 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.310 -18.085 -2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.398 -17.808 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.732 -18.634 -1.361 1.00 0.00 H new ATOM 384 N GLY A 26 -5.292 -15.400 -3.738 1.00 0.00 N ATOM 385 CA GLY A 26 -5.989 -15.245 -5.004 1.00 0.00 C ATOM 386 C GLY A 26 -6.807 -13.953 -5.025 1.00 0.00 C ATOM 387 O GLY A 26 -7.384 -13.596 -6.051 1.00 0.00 O ATOM 0 H GLY A 26 -4.689 -14.617 -3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.268 -15.236 -5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.647 -16.099 -5.168 1.00 0.00 H new ATOM 391 N ASP A 27 -6.833 -13.287 -3.880 1.00 0.00 N ATOM 392 CA ASP A 27 -7.571 -12.041 -3.754 1.00 0.00 C ATOM 393 C ASP A 27 -6.766 -10.910 -4.393 1.00 0.00 C ATOM 394 O ASP A 27 -5.625 -11.112 -4.809 1.00 0.00 O ATOM 395 CB ASP A 27 -7.803 -11.686 -2.284 1.00 0.00 C ATOM 396 CG ASP A 27 -8.942 -12.450 -1.606 1.00 0.00 C ATOM 397 OD1 ASP A 27 -9.378 -13.461 -2.196 1.00 0.00 O ATOM 398 OD2 ASP A 27 -9.349 -12.005 -0.510 1.00 0.00 O ATOM 0 H ASP A 27 -6.355 -13.587 -3.030 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.533 -12.166 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.882 -11.871 -1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.009 -10.618 -2.212 1.00 0.00 H new ATOM 403 N THR A 28 -7.390 -9.743 -4.452 1.00 0.00 N ATOM 404 CA THR A 28 -6.746 -8.577 -5.035 1.00 0.00 C ATOM 405 C THR A 28 -6.677 -7.440 -4.014 1.00 0.00 C ATOM 406 O THR A 28 -7.424 -7.433 -3.037 1.00 0.00 O ATOM 407 CB THR A 28 -7.504 -8.205 -6.309 1.00 0.00 C ATOM 408 OG1 THR A 28 -7.652 -9.443 -7.000 1.00 0.00 O ATOM 409 CG2 THR A 28 -6.668 -7.346 -7.260 1.00 0.00 C ATOM 0 H THR A 28 -8.335 -9.579 -4.106 1.00 0.00 H new ATOM 0 HA THR A 28 -5.712 -8.791 -5.307 1.00 0.00 H new ATOM 0 HB THR A 28 -8.416 -7.670 -6.044 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.136 -9.294 -7.839 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.254 -7.111 -8.148 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.382 -6.421 -6.759 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.771 -7.893 -7.552 1.00 0.00 H new ATOM 417 N VAL A 29 -5.775 -6.506 -4.275 1.00 0.00 N ATOM 418 CA VAL A 29 -5.600 -5.366 -3.391 1.00 0.00 C ATOM 419 C VAL A 29 -5.455 -4.094 -4.229 1.00 0.00 C ATOM 420 O VAL A 29 -4.403 -3.851 -4.818 1.00 0.00 O ATOM 421 CB VAL A 29 -4.411 -5.605 -2.458 1.00 0.00 C ATOM 422 CG1 VAL A 29 -4.162 -4.388 -1.565 1.00 0.00 C ATOM 423 CG2 VAL A 29 -4.619 -6.868 -1.619 1.00 0.00 C ATOM 0 H VAL A 29 -5.157 -6.515 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.476 -5.239 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.525 -5.754 -3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.312 -4.584 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.949 -3.518 -2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.047 -4.194 -0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.760 -7.015 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.521 -6.760 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.725 -7.729 -2.278 1.00 0.00 H new ATOM 433 N GLU A 30 -6.526 -3.316 -4.256 1.00 0.00 N ATOM 434 CA GLU A 30 -6.532 -2.075 -5.012 1.00 0.00 C ATOM 435 C GLU A 30 -5.811 -0.974 -4.231 1.00 0.00 C ATOM 436 O GLU A 30 -5.522 -1.136 -3.046 1.00 0.00 O ATOM 437 CB GLU A 30 -7.960 -1.653 -5.363 1.00 0.00 C ATOM 438 CG GLU A 30 -8.061 -1.230 -6.830 1.00 0.00 C ATOM 439 CD GLU A 30 -9.225 -1.938 -7.526 1.00 0.00 C ATOM 440 OE1 GLU A 30 -9.285 -3.181 -7.407 1.00 0.00 O ATOM 441 OE2 GLU A 30 -10.030 -1.221 -8.160 1.00 0.00 O ATOM 0 H GLU A 30 -7.397 -3.521 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.997 -2.240 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.645 -2.479 -5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.268 -0.828 -4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.198 -0.150 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.129 -1.463 -7.344 1.00 0.00 H new ATOM 448 N PHE A 31 -5.541 0.121 -4.926 1.00 0.00 N ATOM 449 CA PHE A 31 -4.860 1.248 -4.312 1.00 0.00 C ATOM 450 C PHE A 31 -5.309 2.569 -4.940 1.00 0.00 C ATOM 451 O PHE A 31 -5.230 2.741 -6.156 1.00 0.00 O ATOM 452 CB PHE A 31 -3.364 1.059 -4.567 1.00 0.00 C ATOM 453 CG PHE A 31 -2.702 0.028 -3.650 1.00 0.00 C ATOM 454 CD1 PHE A 31 -2.786 -1.297 -3.944 1.00 0.00 C ATOM 455 CD2 PHE A 31 -2.028 0.436 -2.541 1.00 0.00 C ATOM 456 CE1 PHE A 31 -2.172 -2.254 -3.095 1.00 0.00 C ATOM 457 CE2 PHE A 31 -1.414 -0.521 -1.692 1.00 0.00 C ATOM 458 CZ PHE A 31 -1.498 -1.846 -1.986 1.00 0.00 C ATOM 0 H PHE A 31 -5.782 0.252 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.090 1.286 -3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.218 0.755 -5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.861 2.018 -4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.321 -1.621 -4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.960 1.488 -2.307 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.240 -3.306 -3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.879 -0.197 -0.811 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.030 -2.574 -1.340 1.00 0.00 H new ATOM 468 N VAL A 32 -5.770 3.469 -4.084 1.00 0.00 N ATOM 469 CA VAL A 32 -6.232 4.768 -4.540 1.00 0.00 C ATOM 470 C VAL A 32 -5.678 5.854 -3.615 1.00 0.00 C ATOM 471 O VAL A 32 -5.422 5.602 -2.439 1.00 0.00 O ATOM 472 CB VAL A 32 -7.759 4.780 -4.628 1.00 0.00 C ATOM 473 CG1 VAL A 32 -8.387 4.907 -3.238 1.00 0.00 C ATOM 474 CG2 VAL A 32 -8.246 5.896 -5.554 1.00 0.00 C ATOM 0 H VAL A 32 -5.833 3.324 -3.076 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.861 4.974 -5.544 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.078 3.829 -5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.473 4.913 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.079 4.063 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.056 5.836 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.335 5.882 -5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.911 6.860 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.840 5.742 -6.554 1.00 0.00 H new ATOM 484 N MET A 33 -5.509 7.040 -4.182 1.00 0.00 N ATOM 485 CA MET A 33 -4.990 8.166 -3.424 1.00 0.00 C ATOM 486 C MET A 33 -6.127 9.055 -2.915 1.00 0.00 C ATOM 487 O MET A 33 -6.882 9.617 -3.707 1.00 0.00 O ATOM 488 CB MET A 33 -4.054 8.991 -4.309 1.00 0.00 C ATOM 489 CG MET A 33 -2.596 8.579 -4.099 1.00 0.00 C ATOM 490 SD MET A 33 -1.587 9.202 -5.433 1.00 0.00 S ATOM 491 CE MET A 33 -1.739 10.957 -5.143 1.00 0.00 C ATOM 0 H MET A 33 -5.723 7.245 -5.158 1.00 0.00 H new ATOM 0 HA MET A 33 -4.443 7.779 -2.564 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.326 8.857 -5.356 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.173 10.050 -4.082 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.234 8.966 -3.147 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.520 7.493 -4.051 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.294 11.414 -5.962 1.00 0.00 H new ATOM 0 HE2 MET A 33 -2.270 11.126 -4.206 1.00 0.00 H new ATOM 0 HE3 MET A 33 -0.746 11.403 -5.083 1.00 0.00 H new ATOM 501 N ASN A 34 -6.213 9.154 -1.597 1.00 0.00 N ATOM 502 CA ASN A 34 -7.244 9.965 -0.973 1.00 0.00 C ATOM 503 C ASN A 34 -6.873 11.443 -1.102 1.00 0.00 C ATOM 504 O ASN A 34 -7.555 12.200 -1.791 1.00 0.00 O ATOM 505 CB ASN A 34 -7.376 9.639 0.516 1.00 0.00 C ATOM 506 CG ASN A 34 -8.641 8.823 0.789 1.00 0.00 C ATOM 507 OD1 ASN A 34 -8.927 7.836 0.133 1.00 0.00 O ATOM 508 ND2 ASN A 34 -9.380 9.290 1.791 1.00 0.00 N ATOM 0 H ASN A 34 -5.585 8.686 -0.944 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.188 9.752 -1.474 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.501 9.081 0.849 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.404 10.563 1.093 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.245 8.816 2.051 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.082 10.123 2.300 1.00 0.00 H new ATOM 515 N LYS A 35 -5.792 11.811 -0.429 1.00 0.00 N ATOM 516 CA LYS A 35 -5.322 13.185 -0.460 1.00 0.00 C ATOM 517 C LYS A 35 -3.929 13.257 0.169 1.00 0.00 C ATOM 518 O LYS A 35 -3.286 12.230 0.382 1.00 0.00 O ATOM 519 CB LYS A 35 -6.342 14.115 0.197 1.00 0.00 C ATOM 520 CG LYS A 35 -6.455 13.834 1.697 1.00 0.00 C ATOM 521 CD LYS A 35 -7.899 13.513 2.088 1.00 0.00 C ATOM 522 CE LYS A 35 -8.537 14.683 2.838 1.00 0.00 C ATOM 523 NZ LYS A 35 -9.851 15.022 2.249 1.00 0.00 N ATOM 0 H LYS A 35 -5.228 11.181 0.141 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.226 13.532 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.048 15.153 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.316 13.984 -0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.808 12.998 1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.106 14.700 2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.480 13.289 1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.920 12.621 2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.659 14.425 3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.879 15.551 2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.270 15.818 2.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.726 15.289 1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.482 14.198 2.310 1.00 0.00 H new ATOM 537 N VAL A 36 -3.504 14.479 0.450 1.00 0.00 N ATOM 538 CA VAL A 36 -2.200 14.699 1.051 1.00 0.00 C ATOM 539 C VAL A 36 -1.153 13.870 0.306 1.00 0.00 C ATOM 540 O VAL A 36 -0.401 13.115 0.920 1.00 0.00 O ATOM 541 CB VAL A 36 -2.254 14.387 2.549 1.00 0.00 C ATOM 542 CG1 VAL A 36 -2.620 12.921 2.790 1.00 0.00 C ATOM 543 CG2 VAL A 36 -0.932 14.742 3.230 1.00 0.00 C ATOM 0 H VAL A 36 -4.040 15.328 0.272 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.910 15.746 0.961 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.035 15.004 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.652 12.725 3.862 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.597 12.714 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.872 12.278 2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.997 14.511 4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.125 14.163 2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.731 15.806 3.102 1.00 0.00 H new ATOM 553 N GLY A 37 -1.139 14.036 -1.009 1.00 0.00 N ATOM 554 CA GLY A 37 -0.197 13.312 -1.845 1.00 0.00 C ATOM 555 C GLY A 37 1.115 14.086 -1.992 1.00 0.00 C ATOM 556 O GLY A 37 1.334 15.080 -1.300 1.00 0.00 O ATOM 0 H GLY A 37 -1.765 14.662 -1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.002 12.332 -1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.635 13.142 -2.829 1.00 0.00 H new ATOM 560 N PRO A 38 1.974 13.590 -2.921 1.00 0.00 N ATOM 561 CA PRO A 38 1.637 12.410 -3.697 1.00 0.00 C ATOM 562 C PRO A 38 1.766 11.141 -2.851 1.00 0.00 C ATOM 563 O PRO A 38 1.963 11.217 -1.639 1.00 0.00 O ATOM 564 CB PRO A 38 2.590 12.432 -4.882 1.00 0.00 C ATOM 565 CG PRO A 38 3.727 13.359 -4.484 1.00 0.00 C ATOM 566 CD PRO A 38 3.286 14.138 -3.256 1.00 0.00 C ATOM 0 HA PRO A 38 0.601 12.412 -4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.961 11.431 -5.104 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.088 12.792 -5.780 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.629 12.786 -4.269 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.969 14.039 -5.301 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.990 14.012 -2.433 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.228 15.206 -3.465 1.00 0.00 H new ATOM 574 N HIS A 39 1.648 10.005 -3.523 1.00 0.00 N ATOM 575 CA HIS A 39 1.748 8.723 -2.847 1.00 0.00 C ATOM 576 C HIS A 39 2.421 7.707 -3.773 1.00 0.00 C ATOM 577 O HIS A 39 2.950 8.072 -4.821 1.00 0.00 O ATOM 578 CB HIS A 39 0.376 8.259 -2.355 1.00 0.00 C ATOM 579 CG HIS A 39 -0.275 9.202 -1.371 1.00 0.00 C ATOM 580 ND1 HIS A 39 -0.131 9.070 0.000 1.00 0.00 N ATOM 581 CD2 HIS A 39 -1.072 10.290 -1.572 1.00 0.00 C ATOM 582 CE1 HIS A 39 -0.816 10.040 0.586 1.00 0.00 C ATOM 583 NE2 HIS A 39 -1.398 10.795 -0.389 1.00 0.00 N ATOM 0 H HIS A 39 1.484 9.946 -4.528 1.00 0.00 H new ATOM 0 HA HIS A 39 2.372 8.823 -1.959 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.283 8.134 -3.214 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.481 7.279 -1.889 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.385 10.675 -2.531 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.899 10.204 1.650 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.987 11.613 -0.234 1.00 0.00 H new ATOM 591 N ASN A 40 2.377 6.451 -3.352 1.00 0.00 N ATOM 592 CA ASN A 40 2.975 5.379 -4.129 1.00 0.00 C ATOM 593 C ASN A 40 3.002 4.100 -3.291 1.00 0.00 C ATOM 594 O ASN A 40 2.737 4.135 -2.091 1.00 0.00 O ATOM 595 CB ASN A 40 4.415 5.720 -4.519 1.00 0.00 C ATOM 596 CG ASN A 40 5.139 6.434 -3.376 1.00 0.00 C ATOM 597 OD1 ASN A 40 4.626 6.581 -2.278 1.00 0.00 O ATOM 598 ND2 ASN A 40 6.355 6.869 -3.693 1.00 0.00 N ATOM 0 H ASN A 40 1.936 6.152 -2.482 1.00 0.00 H new ATOM 0 HA ASN A 40 2.379 5.243 -5.031 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.951 4.807 -4.779 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.415 6.354 -5.406 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.919 7.359 -2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.724 6.713 -4.631 1.00 0.00 H new ATOM 605 N VAL A 41 3.326 3.001 -3.956 1.00 0.00 N ATOM 606 CA VAL A 41 3.390 1.713 -3.287 1.00 0.00 C ATOM 607 C VAL A 41 4.851 1.264 -3.196 1.00 0.00 C ATOM 608 O VAL A 41 5.484 0.989 -4.215 1.00 0.00 O ATOM 609 CB VAL A 41 2.498 0.702 -4.009 1.00 0.00 C ATOM 610 CG1 VAL A 41 2.593 -0.679 -3.357 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.048 1.187 -4.057 1.00 0.00 C ATOM 0 H VAL A 41 3.547 2.976 -4.951 1.00 0.00 H new ATOM 0 HA VAL A 41 3.009 1.792 -2.269 1.00 0.00 H new ATOM 0 HB VAL A 41 2.856 0.613 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.949 -1.378 -3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.624 -1.031 -3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.274 -0.613 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.435 0.450 -4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.675 1.320 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.000 2.138 -4.588 1.00 0.00 H new ATOM 621 N ILE A 42 5.343 1.202 -1.968 1.00 0.00 N ATOM 622 CA ILE A 42 6.716 0.790 -1.731 1.00 0.00 C ATOM 623 C ILE A 42 6.750 -0.218 -0.581 1.00 0.00 C ATOM 624 O ILE A 42 7.228 0.093 0.509 1.00 0.00 O ATOM 625 CB ILE A 42 7.609 2.012 -1.504 1.00 0.00 C ATOM 626 CG1 ILE A 42 7.326 3.099 -2.544 1.00 0.00 C ATOM 627 CG2 ILE A 42 9.087 1.613 -1.480 1.00 0.00 C ATOM 628 CD1 ILE A 42 7.762 2.650 -3.939 1.00 0.00 C ATOM 0 H ILE A 42 4.815 1.430 -1.126 1.00 0.00 H new ATOM 0 HA ILE A 42 7.120 0.286 -2.609 1.00 0.00 H new ATOM 0 HB ILE A 42 7.372 2.432 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.262 3.333 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.852 4.014 -2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.700 2.499 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.258 0.900 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.356 1.155 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.550 3.441 -4.659 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.832 2.440 -3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.216 1.749 -4.218 1.00 0.00 H new ATOM 640 N PHE A 43 6.238 -1.406 -0.864 1.00 0.00 N ATOM 641 CA PHE A 43 6.204 -2.463 0.134 1.00 0.00 C ATOM 642 C PHE A 43 7.485 -2.470 0.970 1.00 0.00 C ATOM 643 O PHE A 43 8.507 -1.932 0.548 1.00 0.00 O ATOM 644 CB PHE A 43 6.096 -3.789 -0.623 1.00 0.00 C ATOM 645 CG PHE A 43 4.736 -4.020 -1.284 1.00 0.00 C ATOM 646 CD1 PHE A 43 4.496 -3.533 -2.532 1.00 0.00 C ATOM 647 CD2 PHE A 43 3.767 -4.709 -0.626 1.00 0.00 C ATOM 648 CE1 PHE A 43 3.233 -3.747 -3.147 1.00 0.00 C ATOM 649 CE2 PHE A 43 2.504 -4.924 -1.240 1.00 0.00 C ATOM 650 CZ PHE A 43 2.264 -4.437 -2.487 1.00 0.00 C ATOM 0 H PHE A 43 5.843 -1.661 -1.769 1.00 0.00 H new ATOM 0 HA PHE A 43 5.362 -2.310 0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.871 -3.822 -1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.296 -4.608 0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.265 -2.984 -3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.957 -5.094 0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.042 -3.362 -4.138 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.735 -5.474 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.303 -4.598 -2.954 1.00 0.00 H new ATOM 660 N ASP A 44 7.387 -3.083 2.140 1.00 0.00 N ATOM 661 CA ASP A 44 8.525 -3.166 3.039 1.00 0.00 C ATOM 662 C ASP A 44 9.275 -4.476 2.786 1.00 0.00 C ATOM 663 O ASP A 44 10.493 -4.475 2.617 1.00 0.00 O ATOM 664 CB ASP A 44 8.075 -3.154 4.502 1.00 0.00 C ATOM 665 CG ASP A 44 9.063 -2.514 5.478 1.00 0.00 C ATOM 666 OD1 ASP A 44 10.063 -3.192 5.798 1.00 0.00 O ATOM 667 OD2 ASP A 44 8.796 -1.362 5.882 1.00 0.00 O ATOM 0 H ASP A 44 6.537 -3.527 2.486 1.00 0.00 H new ATOM 0 HA ASP A 44 9.165 -2.304 2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.125 -2.623 4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.889 -4.181 4.818 1.00 0.00 H new ATOM 672 N LYS A 45 8.516 -5.561 2.768 1.00 0.00 N ATOM 673 CA LYS A 45 9.093 -6.874 2.539 1.00 0.00 C ATOM 674 C LYS A 45 8.057 -7.948 2.876 1.00 0.00 C ATOM 675 O LYS A 45 7.207 -7.747 3.742 1.00 0.00 O ATOM 676 CB LYS A 45 10.406 -7.025 3.310 1.00 0.00 C ATOM 677 CG LYS A 45 11.599 -7.088 2.352 1.00 0.00 C ATOM 678 CD LYS A 45 12.793 -7.784 3.009 1.00 0.00 C ATOM 679 CE LYS A 45 14.114 -7.211 2.494 1.00 0.00 C ATOM 680 NZ LYS A 45 15.242 -7.673 3.332 1.00 0.00 N ATOM 0 H LYS A 45 7.506 -5.558 2.908 1.00 0.00 H new ATOM 0 HA LYS A 45 9.351 -6.997 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.529 -6.186 3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.374 -7.930 3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.315 -7.623 1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.882 -6.079 2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.738 -7.664 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.752 -8.854 2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.272 -7.518 1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.071 -6.122 2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.131 -7.274 2.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.097 -7.358 4.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.292 -8.711 3.305 1.00 0.00 H new ATOM 694 N VAL A 46 8.161 -9.067 2.174 1.00 0.00 N ATOM 695 CA VAL A 46 7.243 -10.173 2.388 1.00 0.00 C ATOM 696 C VAL A 46 8.042 -11.466 2.568 1.00 0.00 C ATOM 697 O VAL A 46 9.197 -11.548 2.154 1.00 0.00 O ATOM 698 CB VAL A 46 6.236 -10.248 1.238 1.00 0.00 C ATOM 699 CG1 VAL A 46 5.347 -9.003 1.205 1.00 0.00 C ATOM 700 CG2 VAL A 46 6.948 -10.448 -0.102 1.00 0.00 C ATOM 0 H VAL A 46 8.867 -9.232 1.456 1.00 0.00 H new ATOM 0 HA VAL A 46 6.665 -10.018 3.299 1.00 0.00 H new ATOM 0 HB VAL A 46 5.595 -11.113 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.641 -9.082 0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.799 -8.922 2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.967 -8.117 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.210 -10.498 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.624 -9.612 -0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.518 -11.377 -0.076 1.00 0.00 H new ATOM 710 N PRO A 47 7.377 -12.467 3.203 1.00 0.00 N ATOM 711 CA PRO A 47 8.013 -13.753 3.443 1.00 0.00 C ATOM 712 C PRO A 47 8.093 -14.573 2.155 1.00 0.00 C ATOM 713 O PRO A 47 7.375 -14.301 1.195 1.00 0.00 O ATOM 714 CB PRO A 47 7.167 -14.415 4.518 1.00 0.00 C ATOM 715 CG PRO A 47 5.834 -13.685 4.508 1.00 0.00 C ATOM 716 CD PRO A 47 6.008 -12.405 3.706 1.00 0.00 C ATOM 0 HA PRO A 47 9.047 -13.657 3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.032 -15.477 4.310 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.646 -14.339 5.494 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.060 -14.311 4.064 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.516 -13.457 5.525 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.288 -12.348 2.889 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.854 -11.524 4.328 1.00 0.00 H new ATOM 724 N ALA A 48 8.973 -15.564 2.177 1.00 0.00 N ATOM 725 CA ALA A 48 9.156 -16.428 1.022 1.00 0.00 C ATOM 726 C ALA A 48 7.796 -16.710 0.380 1.00 0.00 C ATOM 727 O ALA A 48 6.829 -17.014 1.078 1.00 0.00 O ATOM 728 CB ALA A 48 9.876 -17.708 1.450 1.00 0.00 C ATOM 0 H ALA A 48 9.567 -15.788 2.976 1.00 0.00 H new ATOM 0 HA ALA A 48 9.779 -15.939 0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.013 -18.355 0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.849 -17.455 1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.280 -18.227 2.200 1.00 0.00 H new ATOM 734 N GLY A 49 7.765 -16.600 -0.939 1.00 0.00 N ATOM 735 CA GLY A 49 6.540 -16.840 -1.682 1.00 0.00 C ATOM 736 C GLY A 49 6.366 -15.812 -2.801 1.00 0.00 C ATOM 737 O GLY A 49 6.269 -16.174 -3.973 1.00 0.00 O ATOM 0 H GLY A 49 8.569 -16.348 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.559 -17.844 -2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.686 -16.795 -1.006 1.00 0.00 H new ATOM 741 N GLU A 50 6.331 -14.549 -2.400 1.00 0.00 N ATOM 742 CA GLU A 50 6.171 -13.466 -3.355 1.00 0.00 C ATOM 743 C GLU A 50 7.451 -12.630 -3.429 1.00 0.00 C ATOM 744 O GLU A 50 8.477 -13.008 -2.866 1.00 0.00 O ATOM 745 CB GLU A 50 4.967 -12.592 -2.995 1.00 0.00 C ATOM 746 CG GLU A 50 4.059 -12.384 -4.210 1.00 0.00 C ATOM 747 CD GLU A 50 3.340 -13.682 -4.586 1.00 0.00 C ATOM 748 OE1 GLU A 50 4.040 -14.599 -5.066 1.00 0.00 O ATOM 749 OE2 GLU A 50 2.108 -13.727 -4.383 1.00 0.00 O ATOM 0 H GLU A 50 6.411 -14.252 -1.427 1.00 0.00 H new ATOM 0 HA GLU A 50 5.985 -13.899 -4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.401 -13.060 -2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.311 -11.627 -2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.325 -11.608 -3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.651 -12.034 -5.055 1.00 0.00 H new ATOM 756 N SER A 51 7.348 -11.510 -4.129 1.00 0.00 N ATOM 757 CA SER A 51 8.485 -10.618 -4.285 1.00 0.00 C ATOM 758 C SER A 51 8.085 -9.191 -3.907 1.00 0.00 C ATOM 759 O SER A 51 7.843 -8.358 -4.780 1.00 0.00 O ATOM 760 CB SER A 51 9.024 -10.658 -5.716 1.00 0.00 C ATOM 761 OG SER A 51 9.865 -11.785 -5.939 1.00 0.00 O ATOM 0 H SER A 51 6.495 -11.200 -4.594 1.00 0.00 H new ATOM 0 HA SER A 51 9.279 -10.955 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.190 -10.684 -6.417 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.582 -9.744 -5.919 1.00 0.00 H new ATOM 0 HG SER A 51 10.187 -11.775 -6.865 1.00 0.00 H new ATOM 767 N ALA A 52 8.028 -8.950 -2.606 1.00 0.00 N ATOM 768 CA ALA A 52 7.663 -7.638 -2.101 1.00 0.00 C ATOM 769 C ALA A 52 8.510 -6.574 -2.801 1.00 0.00 C ATOM 770 O ALA A 52 7.977 -5.595 -3.321 1.00 0.00 O ATOM 771 CB ALA A 52 7.830 -7.610 -0.581 1.00 0.00 C ATOM 0 H ALA A 52 8.229 -9.643 -1.885 1.00 0.00 H new ATOM 0 HA ALA A 52 6.617 -7.421 -2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.556 -6.625 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.185 -8.364 -0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.868 -7.821 -0.325 1.00 0.00 H new ATOM 777 N PRO A 53 9.850 -6.807 -2.791 1.00 0.00 N ATOM 778 CA PRO A 53 10.775 -5.879 -3.417 1.00 0.00 C ATOM 779 C PRO A 53 10.731 -6.006 -4.941 1.00 0.00 C ATOM 780 O PRO A 53 11.767 -6.154 -5.587 1.00 0.00 O ATOM 781 CB PRO A 53 12.135 -6.225 -2.832 1.00 0.00 C ATOM 782 CG PRO A 53 11.998 -7.626 -2.258 1.00 0.00 C ATOM 783 CD PRO A 53 10.516 -7.955 -2.183 1.00 0.00 C ATOM 0 HA PRO A 53 10.524 -4.837 -3.219 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.910 -6.191 -3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.420 -5.512 -2.058 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.518 -8.349 -2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.452 -7.679 -1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.287 -8.876 -2.720 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.194 -8.099 -1.152 1.00 0.00 H new ATOM 791 N ALA A 54 9.519 -5.943 -5.473 1.00 0.00 N ATOM 792 CA ALA A 54 9.325 -6.048 -6.909 1.00 0.00 C ATOM 793 C ALA A 54 8.016 -5.359 -7.295 1.00 0.00 C ATOM 794 O ALA A 54 7.971 -4.598 -8.261 1.00 0.00 O ATOM 795 CB ALA A 54 9.351 -7.522 -7.321 1.00 0.00 C ATOM 0 H ALA A 54 8.661 -5.820 -4.935 1.00 0.00 H new ATOM 0 HA ALA A 54 10.132 -5.545 -7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.205 -7.601 -8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.313 -7.958 -7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.553 -8.058 -6.807 1.00 0.00 H new ATOM 801 N LEU A 55 6.981 -5.649 -6.520 1.00 0.00 N ATOM 802 CA LEU A 55 5.673 -5.066 -6.768 1.00 0.00 C ATOM 803 C LEU A 55 5.726 -3.563 -6.485 1.00 0.00 C ATOM 804 O LEU A 55 5.039 -2.779 -7.137 1.00 0.00 O ATOM 805 CB LEU A 55 4.596 -5.804 -5.971 1.00 0.00 C ATOM 806 CG LEU A 55 3.970 -7.021 -6.656 1.00 0.00 C ATOM 807 CD1 LEU A 55 2.925 -7.681 -5.754 1.00 0.00 C ATOM 808 CD2 LEU A 55 3.392 -6.643 -8.022 1.00 0.00 C ATOM 0 H LEU A 55 7.022 -6.280 -5.720 1.00 0.00 H new ATOM 0 HA LEU A 55 5.397 -5.184 -7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.030 -6.128 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.801 -5.098 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 55 4.755 -7.757 -6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.496 -8.543 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.398 -8.007 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.136 -6.964 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.953 -7.525 -8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.624 -5.880 -7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.187 -6.254 -8.658 1.00 0.00 H new ATOM 820 N SER A 56 6.550 -3.207 -5.510 1.00 0.00 N ATOM 821 CA SER A 56 6.703 -1.813 -5.131 1.00 0.00 C ATOM 822 C SER A 56 7.066 -0.975 -6.358 1.00 0.00 C ATOM 823 O SER A 56 8.151 -1.122 -6.916 1.00 0.00 O ATOM 824 CB SER A 56 7.767 -1.650 -4.043 1.00 0.00 C ATOM 825 OG SER A 56 8.781 -2.647 -4.136 1.00 0.00 O ATOM 0 H SER A 56 7.119 -3.860 -4.971 1.00 0.00 H new ATOM 0 HA SER A 56 5.753 -1.463 -4.727 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.221 -0.662 -4.124 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.294 -1.704 -3.062 1.00 0.00 H new ATOM 0 HG SER A 56 9.442 -2.508 -3.426 1.00 0.00 H new ATOM 831 N ASN A 57 6.136 -0.112 -6.741 1.00 0.00 N ATOM 832 CA ASN A 57 6.345 0.750 -7.892 1.00 0.00 C ATOM 833 C ASN A 57 6.554 2.189 -7.414 1.00 0.00 C ATOM 834 O ASN A 57 5.762 2.707 -6.629 1.00 0.00 O ATOM 835 CB ASN A 57 5.129 0.733 -8.822 1.00 0.00 C ATOM 836 CG ASN A 57 4.856 -0.680 -9.341 1.00 0.00 C ATOM 837 OD1 ASN A 57 5.724 -1.536 -9.370 1.00 0.00 O ATOM 838 ND2 ASN A 57 3.605 -0.874 -9.748 1.00 0.00 N ATOM 0 H ASN A 57 5.237 0.009 -6.275 1.00 0.00 H new ATOM 0 HA ASN A 57 7.218 0.384 -8.433 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.254 1.104 -8.289 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.300 1.406 -9.662 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.322 -1.784 -10.112 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.928 -0.113 -9.696 1.00 0.00 H new ATOM 845 N THR A 58 7.623 2.794 -7.910 1.00 0.00 N ATOM 846 CA THR A 58 7.946 4.162 -7.544 1.00 0.00 C ATOM 847 C THR A 58 7.304 5.143 -8.527 1.00 0.00 C ATOM 848 O THR A 58 7.842 6.221 -8.774 1.00 0.00 O ATOM 849 CB THR A 58 9.470 4.285 -7.470 1.00 0.00 C ATOM 850 OG1 THR A 58 9.691 5.643 -7.100 1.00 0.00 O ATOM 851 CG2 THR A 58 10.134 4.160 -8.843 1.00 0.00 C ATOM 0 H THR A 58 8.277 2.362 -8.563 1.00 0.00 H new ATOM 0 HA THR A 58 7.537 4.417 -6.566 1.00 0.00 H new ATOM 0 HB THR A 58 9.865 3.517 -6.804 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.339 6.234 -7.798 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.214 4.254 -8.735 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.896 3.188 -9.275 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.765 4.949 -9.499 1.00 0.00 H new ATOM 859 N LYS A 59 6.162 4.735 -9.060 1.00 0.00 N ATOM 860 CA LYS A 59 5.441 5.563 -10.011 1.00 0.00 C ATOM 861 C LYS A 59 4.526 6.526 -9.250 1.00 0.00 C ATOM 862 O LYS A 59 3.323 6.571 -9.499 1.00 0.00 O ATOM 863 CB LYS A 59 4.705 4.693 -11.031 1.00 0.00 C ATOM 864 CG LYS A 59 3.672 3.798 -10.344 1.00 0.00 C ATOM 865 CD LYS A 59 2.796 3.082 -11.373 1.00 0.00 C ATOM 866 CE LYS A 59 1.709 4.015 -11.912 1.00 0.00 C ATOM 867 NZ LYS A 59 0.766 3.270 -12.775 1.00 0.00 N ATOM 0 H LYS A 59 5.718 3.841 -8.851 1.00 0.00 H new ATOM 0 HA LYS A 59 6.136 6.171 -10.590 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.210 5.328 -11.766 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.422 4.077 -11.573 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.180 3.063 -9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.046 4.399 -9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.414 2.724 -12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.335 2.206 -10.917 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.169 4.471 -11.082 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.166 4.826 -12.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.086 3.933 -13.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.294 2.786 -13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.254 2.567 -12.204 1.00 0.00 H new ATOM 881 N LEU A 60 5.133 7.271 -8.338 1.00 0.00 N ATOM 882 CA LEU A 60 4.388 8.230 -7.539 1.00 0.00 C ATOM 883 C LEU A 60 3.381 8.957 -8.432 1.00 0.00 C ATOM 884 O LEU A 60 3.765 9.622 -9.393 1.00 0.00 O ATOM 885 CB LEU A 60 5.344 9.168 -6.799 1.00 0.00 C ATOM 886 CG LEU A 60 5.925 10.319 -7.622 1.00 0.00 C ATOM 887 CD1 LEU A 60 4.981 11.522 -7.625 1.00 0.00 C ATOM 888 CD2 LEU A 60 7.326 10.691 -7.131 1.00 0.00 C ATOM 0 H LEU A 60 6.132 7.230 -8.134 1.00 0.00 H new ATOM 0 HA LEU A 60 3.817 7.719 -6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.817 9.589 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.170 8.576 -6.405 1.00 0.00 H new ATOM 0 HG LEU A 60 6.024 9.985 -8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.418 12.326 -8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.023 11.232 -8.058 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.828 11.867 -6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.716 11.512 -7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.276 10.999 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.985 9.828 -7.224 1.00 0.00 H new ATOM 900 N ALA A 61 2.112 8.807 -8.082 1.00 0.00 N ATOM 901 CA ALA A 61 1.047 9.442 -8.839 1.00 0.00 C ATOM 902 C ALA A 61 0.776 10.833 -8.263 1.00 0.00 C ATOM 903 O ALA A 61 0.245 10.960 -7.161 1.00 0.00 O ATOM 904 CB ALA A 61 -0.196 8.550 -8.818 1.00 0.00 C ATOM 0 H ALA A 61 1.797 8.255 -7.284 1.00 0.00 H new ATOM 0 HA ALA A 61 1.340 9.569 -9.881 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.995 9.026 -9.386 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.041 7.585 -9.265 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.521 8.403 -7.788 1.00 0.00 H new ATOM 910 N ILE A 62 1.152 11.842 -9.035 1.00 0.00 N ATOM 911 CA ILE A 62 0.957 13.219 -8.614 1.00 0.00 C ATOM 912 C ILE A 62 -0.533 13.560 -8.679 1.00 0.00 C ATOM 913 O ILE A 62 -1.098 14.073 -7.713 1.00 0.00 O ATOM 914 CB ILE A 62 1.839 14.161 -9.436 1.00 0.00 C ATOM 915 CG1 ILE A 62 3.318 13.797 -9.287 1.00 0.00 C ATOM 916 CG2 ILE A 62 1.569 15.622 -9.074 1.00 0.00 C ATOM 917 CD1 ILE A 62 3.826 14.135 -7.884 1.00 0.00 C ATOM 0 H ILE A 62 1.591 11.733 -9.949 1.00 0.00 H new ATOM 0 HA ILE A 62 1.271 13.349 -7.578 1.00 0.00 H new ATOM 0 HB ILE A 62 1.581 14.038 -10.488 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.456 12.733 -9.481 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.906 14.336 -10.030 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.209 16.270 -9.673 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.524 15.859 -9.274 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.781 15.780 -8.017 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.879 13.867 -7.804 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.709 15.203 -7.702 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.252 13.576 -7.145 1.00 0.00 H new ATOM 929 N ALA A 63 -1.128 13.261 -9.824 1.00 0.00 N ATOM 930 CA ALA A 63 -2.541 13.531 -10.027 1.00 0.00 C ATOM 931 C ALA A 63 -3.367 12.566 -9.173 1.00 0.00 C ATOM 932 O ALA A 63 -2.964 11.424 -8.954 1.00 0.00 O ATOM 933 CB ALA A 63 -2.873 13.422 -11.517 1.00 0.00 C ATOM 0 H ALA A 63 -0.657 12.834 -10.622 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.788 14.545 -9.712 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.933 13.625 -11.669 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.281 14.147 -12.076 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.642 12.417 -11.869 1.00 0.00 H new ATOM 939 N PRO A 64 -4.537 13.074 -8.701 1.00 0.00 N ATOM 940 CA PRO A 64 -5.422 12.270 -7.876 1.00 0.00 C ATOM 941 C PRO A 64 -6.171 11.237 -8.720 1.00 0.00 C ATOM 942 O PRO A 64 -6.641 11.547 -9.814 1.00 0.00 O ATOM 943 CB PRO A 64 -6.348 13.270 -7.203 1.00 0.00 C ATOM 944 CG PRO A 64 -6.254 14.545 -8.025 1.00 0.00 C ATOM 945 CD PRO A 64 -5.045 14.421 -8.939 1.00 0.00 C ATOM 0 HA PRO A 64 -4.884 11.681 -7.133 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.372 12.897 -7.176 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.047 13.448 -6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.162 14.690 -8.610 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.153 15.413 -7.373 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.323 14.561 -9.984 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.293 15.175 -8.705 1.00 0.00 H new ATOM 953 N GLY A 65 -6.259 10.030 -8.181 1.00 0.00 N ATOM 954 CA GLY A 65 -6.941 8.950 -8.872 1.00 0.00 C ATOM 955 C GLY A 65 -6.627 7.599 -8.224 1.00 0.00 C ATOM 956 O GLY A 65 -5.993 7.544 -7.172 1.00 0.00 O ATOM 0 H GLY A 65 -5.869 9.776 -7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.017 9.124 -8.854 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.638 8.934 -9.919 1.00 0.00 H new ATOM 960 N SER A 66 -7.084 6.543 -8.880 1.00 0.00 N ATOM 961 CA SER A 66 -6.860 5.198 -8.382 1.00 0.00 C ATOM 962 C SER A 66 -5.606 4.603 -9.024 1.00 0.00 C ATOM 963 O SER A 66 -5.627 4.212 -10.191 1.00 0.00 O ATOM 964 CB SER A 66 -8.070 4.301 -8.652 1.00 0.00 C ATOM 965 OG SER A 66 -8.179 3.953 -10.030 1.00 0.00 O ATOM 0 H SER A 66 -7.609 6.592 -9.753 1.00 0.00 H new ATOM 0 HA SER A 66 -6.716 5.254 -7.303 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.989 3.393 -8.054 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.979 4.812 -8.334 1.00 0.00 H new ATOM 0 HG SER A 66 -7.367 4.230 -10.503 1.00 0.00 H new ATOM 971 N PHE A 67 -4.542 4.555 -8.236 1.00 0.00 N ATOM 972 CA PHE A 67 -3.279 4.015 -8.714 1.00 0.00 C ATOM 973 C PHE A 67 -3.510 2.820 -9.641 1.00 0.00 C ATOM 974 O PHE A 67 -3.335 2.927 -10.853 1.00 0.00 O ATOM 975 CB PHE A 67 -2.498 3.550 -7.484 1.00 0.00 C ATOM 976 CG PHE A 67 -1.403 4.521 -7.038 1.00 0.00 C ATOM 977 CD1 PHE A 67 -0.240 4.602 -7.738 1.00 0.00 C ATOM 978 CD2 PHE A 67 -1.593 5.303 -5.942 1.00 0.00 C ATOM 979 CE1 PHE A 67 0.777 5.503 -7.324 1.00 0.00 C ATOM 980 CE2 PHE A 67 -0.577 6.205 -5.528 1.00 0.00 C ATOM 981 CZ PHE A 67 0.586 6.285 -6.227 1.00 0.00 C ATOM 0 H PHE A 67 -4.528 4.881 -7.270 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.737 4.776 -9.276 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.195 3.401 -6.659 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.045 2.582 -7.698 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.090 3.981 -8.609 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.517 5.238 -5.386 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.701 5.567 -7.879 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.728 6.827 -4.658 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.359 6.970 -5.911 1.00 0.00 H new ATOM 991 N TYR A 68 -3.899 1.709 -9.033 1.00 0.00 N ATOM 992 CA TYR A 68 -4.155 0.493 -9.788 1.00 0.00 C ATOM 993 C TYR A 68 -4.431 -0.685 -8.854 1.00 0.00 C ATOM 994 O TYR A 68 -4.301 -0.561 -7.636 1.00 0.00 O ATOM 995 CB TYR A 68 -2.876 0.213 -10.581 1.00 0.00 C ATOM 996 CG TYR A 68 -1.590 0.403 -9.775 1.00 0.00 C ATOM 997 CD1 TYR A 68 -1.230 -0.526 -8.820 1.00 0.00 C ATOM 998 CD2 TYR A 68 -0.790 1.505 -10.003 1.00 0.00 C ATOM 999 CE1 TYR A 68 -0.019 -0.347 -8.062 1.00 0.00 C ATOM 1000 CE2 TYR A 68 0.421 1.684 -9.244 1.00 0.00 C ATOM 1001 CZ TYR A 68 0.746 0.749 -8.312 1.00 0.00 C ATOM 1002 OH TYR A 68 1.890 0.919 -7.595 1.00 0.00 O ATOM 0 H TYR A 68 -4.043 1.625 -8.027 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.027 0.616 -10.430 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.910 -0.810 -10.956 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.848 0.870 -11.450 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.857 -1.387 -8.641 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -1.072 2.232 -10.750 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.275 -1.067 -7.312 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.056 2.541 -9.411 1.00 0.00 H new ATOM 0 HH TYR A 68 2.252 0.044 -7.345 1.00 0.00 H new ATOM 1012 N SER A 69 -4.807 -1.803 -9.457 1.00 0.00 N ATOM 1013 CA SER A 69 -5.101 -3.003 -8.694 1.00 0.00 C ATOM 1014 C SER A 69 -4.044 -4.074 -8.973 1.00 0.00 C ATOM 1015 O SER A 69 -3.395 -4.053 -10.017 1.00 0.00 O ATOM 1016 CB SER A 69 -6.497 -3.537 -9.024 1.00 0.00 C ATOM 1017 OG SER A 69 -7.030 -2.944 -10.204 1.00 0.00 O ATOM 0 H SER A 69 -4.915 -1.903 -10.466 1.00 0.00 H new ATOM 0 HA SER A 69 -5.079 -2.748 -7.634 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.451 -4.619 -9.151 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.167 -3.343 -8.186 1.00 0.00 H new ATOM 0 HG SER A 69 -7.921 -3.312 -10.381 1.00 0.00 H new ATOM 1023 N VAL A 70 -3.904 -4.984 -8.019 1.00 0.00 N ATOM 1024 CA VAL A 70 -2.936 -6.061 -8.149 1.00 0.00 C ATOM 1025 C VAL A 70 -3.426 -7.278 -7.362 1.00 0.00 C ATOM 1026 O VAL A 70 -3.929 -7.139 -6.248 1.00 0.00 O ATOM 1027 CB VAL A 70 -1.554 -5.578 -7.707 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -0.867 -4.787 -8.822 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.647 -4.750 -6.424 1.00 0.00 C ATOM 0 H VAL A 70 -4.444 -4.998 -7.154 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.840 -6.366 -9.191 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.944 -6.456 -7.495 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.114 -4.455 -8.482 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.751 -5.422 -9.700 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.474 -3.919 -9.080 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.651 -4.419 -6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.282 -3.881 -6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.075 -5.359 -5.628 1.00 0.00 H new ATOM 1039 N THR A 71 -3.261 -8.442 -7.971 1.00 0.00 N ATOM 1040 CA THR A 71 -3.679 -9.683 -7.340 1.00 0.00 C ATOM 1041 C THR A 71 -2.533 -10.276 -6.519 1.00 0.00 C ATOM 1042 O THR A 71 -1.364 -10.011 -6.796 1.00 0.00 O ATOM 1043 CB THR A 71 -4.192 -10.620 -8.435 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.047 -9.799 -9.224 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.120 -11.707 -7.887 1.00 0.00 C ATOM 0 H THR A 71 -2.844 -8.553 -8.895 1.00 0.00 H new ATOM 0 HA THR A 71 -4.490 -9.514 -6.631 1.00 0.00 H new ATOM 0 HB THR A 71 -3.345 -11.085 -8.940 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.422 -10.328 -9.959 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.456 -12.345 -8.705 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.582 -12.309 -7.155 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.983 -11.242 -7.411 1.00 0.00 H new ATOM 1053 N LEU A 72 -2.908 -11.069 -5.525 1.00 0.00 N ATOM 1054 CA LEU A 72 -1.926 -11.703 -4.662 1.00 0.00 C ATOM 1055 C LEU A 72 -2.272 -13.185 -4.506 1.00 0.00 C ATOM 1056 O LEU A 72 -3.392 -13.599 -4.800 1.00 0.00 O ATOM 1057 CB LEU A 72 -1.817 -10.952 -3.333 1.00 0.00 C ATOM 1058 CG LEU A 72 -1.041 -9.635 -3.369 1.00 0.00 C ATOM 1059 CD1 LEU A 72 -1.311 -8.806 -2.111 1.00 0.00 C ATOM 1060 CD2 LEU A 72 0.454 -9.885 -3.580 1.00 0.00 C ATOM 0 H LEU A 72 -3.878 -11.287 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.934 -11.653 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.824 -10.747 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.343 -11.610 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.394 -9.053 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.747 -7.874 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.376 -8.583 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.002 -9.370 -1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.983 -8.932 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.840 -10.495 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.606 -10.406 -4.525 1.00 0.00 H new ATOM 1072 N GLY A 73 -1.289 -13.943 -4.042 1.00 0.00 N ATOM 1073 CA GLY A 73 -1.475 -15.371 -3.843 1.00 0.00 C ATOM 1074 C GLY A 73 -0.638 -15.874 -2.665 1.00 0.00 C ATOM 1075 O GLY A 73 -1.149 -16.567 -1.788 1.00 0.00 O ATOM 0 H GLY A 73 -0.362 -13.596 -3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.529 -15.582 -3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.194 -15.908 -4.749 1.00 0.00 H new ATOM 1079 N THR A 74 0.634 -15.503 -2.683 1.00 0.00 N ATOM 1080 CA THR A 74 1.546 -15.908 -1.628 1.00 0.00 C ATOM 1081 C THR A 74 0.937 -15.615 -0.255 1.00 0.00 C ATOM 1082 O THR A 74 0.618 -14.468 0.055 1.00 0.00 O ATOM 1083 CB THR A 74 2.883 -15.203 -1.862 1.00 0.00 C ATOM 1084 OG1 THR A 74 3.629 -16.127 -2.651 1.00 0.00 O ATOM 1085 CG2 THR A 74 3.704 -15.062 -0.578 1.00 0.00 C ATOM 0 H THR A 74 1.054 -14.926 -3.412 1.00 0.00 H new ATOM 0 HA THR A 74 1.721 -16.984 -1.648 1.00 0.00 H new ATOM 0 HB THR A 74 2.703 -14.216 -2.288 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.239 -16.180 -3.548 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.643 -14.555 -0.800 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.141 -14.480 0.152 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.913 -16.051 -0.170 1.00 0.00 H new ATOM 1093 N PRO A 75 0.791 -16.699 0.552 1.00 0.00 N ATOM 1094 CA PRO A 75 0.226 -16.570 1.885 1.00 0.00 C ATOM 1095 C PRO A 75 1.235 -15.945 2.850 1.00 0.00 C ATOM 1096 O PRO A 75 2.429 -16.232 2.777 1.00 0.00 O ATOM 1097 CB PRO A 75 -0.178 -17.981 2.280 1.00 0.00 C ATOM 1098 CG PRO A 75 0.594 -18.910 1.356 1.00 0.00 C ATOM 1099 CD PRO A 75 1.158 -18.073 0.220 1.00 0.00 C ATOM 0 HA PRO A 75 -0.634 -15.901 1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.064 -18.179 3.324 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.253 -18.125 2.169 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.397 -19.408 1.899 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.059 -19.691 0.967 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.239 -18.186 0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.738 -18.374 -0.740 1.00 0.00 H new ATOM 1107 N GLY A 76 0.718 -15.101 3.731 1.00 0.00 N ATOM 1108 CA GLY A 76 1.560 -14.433 4.710 1.00 0.00 C ATOM 1109 C GLY A 76 1.114 -12.984 4.918 1.00 0.00 C ATOM 1110 O GLY A 76 0.148 -12.533 4.303 1.00 0.00 O ATOM 0 H GLY A 76 -0.273 -14.864 3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.518 -14.970 5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.598 -14.454 4.377 1.00 0.00 H new ATOM 1114 N THR A 77 1.839 -12.294 5.785 1.00 0.00 N ATOM 1115 CA THR A 77 1.531 -10.905 6.081 1.00 0.00 C ATOM 1116 C THR A 77 2.464 -9.975 5.304 1.00 0.00 C ATOM 1117 O THR A 77 3.685 -10.071 5.424 1.00 0.00 O ATOM 1118 CB THR A 77 1.609 -10.716 7.598 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.911 -9.496 7.832 1.00 0.00 O ATOM 1120 CG2 THR A 77 3.033 -10.430 8.080 1.00 0.00 C ATOM 0 H THR A 77 2.639 -12.671 6.293 1.00 0.00 H new ATOM 0 HA THR A 77 0.523 -10.646 5.758 1.00 0.00 H new ATOM 0 HB THR A 77 1.231 -11.609 8.095 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.042 -9.622 7.640 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.032 -10.304 9.163 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.682 -11.264 7.812 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.400 -9.518 7.609 1.00 0.00 H new ATOM 1128 N TYR A 78 1.855 -9.094 4.524 1.00 0.00 N ATOM 1129 CA TYR A 78 2.616 -8.146 3.727 1.00 0.00 C ATOM 1130 C TYR A 78 2.656 -6.773 4.400 1.00 0.00 C ATOM 1131 O TYR A 78 1.632 -6.276 4.868 1.00 0.00 O ATOM 1132 CB TYR A 78 1.875 -8.026 2.394 1.00 0.00 C ATOM 1133 CG TYR A 78 1.996 -9.264 1.501 1.00 0.00 C ATOM 1134 CD1 TYR A 78 1.523 -10.482 1.943 1.00 0.00 C ATOM 1135 CD2 TYR A 78 2.579 -9.159 0.255 1.00 0.00 C ATOM 1136 CE1 TYR A 78 1.637 -11.646 1.103 1.00 0.00 C ATOM 1137 CE2 TYR A 78 2.694 -10.324 -0.585 1.00 0.00 C ATOM 1138 CZ TYR A 78 2.217 -11.509 -0.120 1.00 0.00 C ATOM 1139 OH TYR A 78 2.325 -12.609 -0.914 1.00 0.00 O ATOM 0 H TYR A 78 0.843 -9.016 4.427 1.00 0.00 H new ATOM 0 HA TYR A 78 3.645 -8.485 3.604 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.820 -7.835 2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.259 -7.161 1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.067 -10.563 2.919 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.949 -8.205 -0.090 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.270 -12.606 1.436 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.149 -10.257 -1.562 1.00 0.00 H new ATOM 0 HH TYR A 78 1.544 -13.185 -0.782 1.00 0.00 H new ATOM 1149 N SER A 79 3.850 -6.199 4.427 1.00 0.00 N ATOM 1150 CA SER A 79 4.037 -4.892 5.035 1.00 0.00 C ATOM 1151 C SER A 79 4.577 -3.905 3.997 1.00 0.00 C ATOM 1152 O SER A 79 5.428 -4.259 3.183 1.00 0.00 O ATOM 1153 CB SER A 79 4.983 -4.972 6.234 1.00 0.00 C ATOM 1154 OG SER A 79 4.841 -6.199 6.945 1.00 0.00 O ATOM 0 H SER A 79 4.697 -6.614 4.038 1.00 0.00 H new ATOM 0 HA SER A 79 3.070 -4.540 5.394 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.012 -4.869 5.891 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.786 -4.138 6.907 1.00 0.00 H new ATOM 0 HG SER A 79 5.463 -6.212 7.702 1.00 0.00 H new ATOM 1160 N PHE A 80 4.061 -2.687 4.061 1.00 0.00 N ATOM 1161 CA PHE A 80 4.481 -1.646 3.138 1.00 0.00 C ATOM 1162 C PHE A 80 4.583 -0.294 3.845 1.00 0.00 C ATOM 1163 O PHE A 80 4.483 -0.220 5.069 1.00 0.00 O ATOM 1164 CB PHE A 80 3.411 -1.559 2.047 1.00 0.00 C ATOM 1165 CG PHE A 80 1.984 -1.433 2.583 1.00 0.00 C ATOM 1166 CD1 PHE A 80 1.403 -2.483 3.223 1.00 0.00 C ATOM 1167 CD2 PHE A 80 1.296 -0.271 2.418 1.00 0.00 C ATOM 1168 CE1 PHE A 80 0.078 -2.365 3.721 1.00 0.00 C ATOM 1169 CE2 PHE A 80 -0.028 -0.154 2.916 1.00 0.00 C ATOM 1170 CZ PHE A 80 -0.610 -1.204 3.557 1.00 0.00 C ATOM 0 H PHE A 80 3.355 -2.397 4.738 1.00 0.00 H new ATOM 0 HA PHE A 80 5.462 -1.885 2.728 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.626 -0.701 1.410 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.475 -2.447 1.418 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.949 -3.406 3.352 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.757 0.562 1.908 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.383 -3.198 4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.574 0.769 2.786 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.618 -1.115 3.935 1.00 0.00 H new ATOM 1180 N TYR A 81 4.779 0.744 3.044 1.00 0.00 N ATOM 1181 CA TYR A 81 4.896 2.089 3.579 1.00 0.00 C ATOM 1182 C TYR A 81 4.925 3.125 2.453 1.00 0.00 C ATOM 1183 O TYR A 81 5.064 2.772 1.283 1.00 0.00 O ATOM 1184 CB TYR A 81 6.229 2.132 4.329 1.00 0.00 C ATOM 1185 CG TYR A 81 7.452 1.918 3.436 1.00 0.00 C ATOM 1186 CD1 TYR A 81 7.874 2.924 2.591 1.00 0.00 C ATOM 1187 CD2 TYR A 81 8.136 0.719 3.476 1.00 0.00 C ATOM 1188 CE1 TYR A 81 9.027 2.724 1.750 1.00 0.00 C ATOM 1189 CE2 TYR A 81 9.287 0.518 2.635 1.00 0.00 C ATOM 1190 CZ TYR A 81 9.676 1.530 1.814 1.00 0.00 C ATOM 1191 OH TYR A 81 10.764 1.341 1.021 1.00 0.00 O ATOM 0 H TYR A 81 4.860 0.680 2.029 1.00 0.00 H new ATOM 0 HA TYR A 81 4.047 2.321 4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.322 3.096 4.830 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.222 1.368 5.107 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.340 3.862 2.560 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.807 -0.068 4.138 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.368 3.503 1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.829 -0.416 2.656 1.00 0.00 H new ATOM 0 HH TYR A 81 11.127 0.443 1.172 1.00 0.00 H new ATOM 1201 N CYS A 82 4.791 4.384 2.846 1.00 0.00 N ATOM 1202 CA CYS A 82 4.801 5.473 1.884 1.00 0.00 C ATOM 1203 C CYS A 82 6.214 6.058 1.835 1.00 0.00 C ATOM 1204 O CYS A 82 6.687 6.632 2.815 1.00 0.00 O ATOM 1205 CB CYS A 82 3.755 6.537 2.224 1.00 0.00 C ATOM 1206 SG CYS A 82 2.892 7.254 0.779 1.00 0.00 S ATOM 0 H CYS A 82 4.675 4.674 3.817 1.00 0.00 H new ATOM 0 HA CYS A 82 4.531 5.093 0.898 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.013 6.097 2.891 1.00 0.00 H new ATOM 0 HB3 CYS A 82 4.242 7.342 2.775 1.00 0.00 H new ATOM 1211 N THR A 83 6.849 5.892 0.684 1.00 0.00 N ATOM 1212 CA THR A 83 8.198 6.397 0.494 1.00 0.00 C ATOM 1213 C THR A 83 8.326 7.807 1.071 1.00 0.00 C ATOM 1214 O THR A 83 9.239 8.084 1.849 1.00 0.00 O ATOM 1215 CB THR A 83 8.526 6.318 -0.998 1.00 0.00 C ATOM 1216 OG1 THR A 83 9.402 5.199 -1.103 1.00 0.00 O ATOM 1217 CG2 THR A 83 9.374 7.500 -1.474 1.00 0.00 C ATOM 0 H THR A 83 6.454 5.415 -0.126 1.00 0.00 H new ATOM 0 HA THR A 83 8.927 5.792 1.034 1.00 0.00 H new ATOM 0 HB THR A 83 7.600 6.281 -1.571 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.788 5.169 -2.003 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.579 7.395 -2.540 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.833 8.430 -1.298 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.315 7.518 -0.924 1.00 0.00 H new ATOM 1225 N PRO A 84 7.375 8.686 0.657 1.00 0.00 N ATOM 1226 CA PRO A 84 7.372 10.063 1.124 1.00 0.00 C ATOM 1227 C PRO A 84 6.875 10.150 2.569 1.00 0.00 C ATOM 1228 O PRO A 84 7.605 10.589 3.455 1.00 0.00 O ATOM 1229 CB PRO A 84 6.483 10.809 0.143 1.00 0.00 C ATOM 1230 CG PRO A 84 5.653 9.748 -0.558 1.00 0.00 C ATOM 1231 CD PRO A 84 6.279 8.395 -0.263 1.00 0.00 C ATOM 0 HA PRO A 84 8.369 10.502 1.149 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.845 11.525 0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.080 11.374 -0.573 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.622 9.776 -0.206 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.628 9.931 -1.632 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.556 7.714 0.185 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.642 7.920 -1.174 1.00 0.00 H new ATOM 1239 N HIS A 85 5.634 9.725 2.760 1.00 0.00 N ATOM 1240 CA HIS A 85 5.031 9.750 4.082 1.00 0.00 C ATOM 1241 C HIS A 85 5.558 8.576 4.909 1.00 0.00 C ATOM 1242 O HIS A 85 4.827 7.625 5.180 1.00 0.00 O ATOM 1243 CB HIS A 85 3.503 9.766 3.981 1.00 0.00 C ATOM 1244 CG HIS A 85 2.960 10.839 3.068 1.00 0.00 C ATOM 1245 ND1 HIS A 85 2.273 10.552 1.901 1.00 0.00 N ATOM 1246 CD2 HIS A 85 3.008 12.198 3.162 1.00 0.00 C ATOM 1247 CE1 HIS A 85 1.929 11.696 1.326 1.00 0.00 C ATOM 1248 NE2 HIS A 85 2.386 12.715 2.109 1.00 0.00 N ATOM 0 H HIS A 85 5.031 9.362 2.022 1.00 0.00 H new ATOM 0 HA HIS A 85 5.314 10.668 4.598 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.162 8.794 3.625 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.084 9.905 4.978 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.473 12.759 3.959 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.383 11.802 0.400 1.00 0.00 H new ATOM 0 HE2 HIS A 85 2.269 13.710 1.917 1.00 0.00 H new ATOM 1256 N ARG A 86 6.823 8.682 5.288 1.00 0.00 N ATOM 1257 CA ARG A 86 7.457 7.641 6.079 1.00 0.00 C ATOM 1258 C ARG A 86 7.484 8.040 7.556 1.00 0.00 C ATOM 1259 O ARG A 86 7.270 7.204 8.433 1.00 0.00 O ATOM 1260 CB ARG A 86 8.886 7.380 5.602 1.00 0.00 C ATOM 1261 CG ARG A 86 9.792 8.576 5.901 1.00 0.00 C ATOM 1262 CD ARG A 86 11.104 8.479 5.120 1.00 0.00 C ATOM 1263 NE ARG A 86 11.919 9.694 5.347 1.00 0.00 N ATOM 1264 CZ ARG A 86 13.017 10.004 4.645 1.00 0.00 C ATOM 1265 NH1 ARG A 86 13.438 9.192 3.666 1.00 0.00 N ATOM 1266 NH2 ARG A 86 13.694 11.127 4.922 1.00 0.00 N ATOM 0 H ARG A 86 7.426 9.473 5.062 1.00 0.00 H new ATOM 0 HA ARG A 86 6.873 6.729 5.956 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.280 6.490 6.092 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.884 7.180 4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.277 9.501 5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.003 8.619 6.970 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.659 7.595 5.434 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.896 8.364 4.056 1.00 0.00 H new ATOM 0 HE ARG A 86 11.626 10.335 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.922 8.338 3.455 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.274 9.428 3.132 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.373 11.745 5.667 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.530 11.363 4.388 1.00 0.00 H new ATOM 1280 N GLY A 87 7.750 9.317 7.787 1.00 0.00 N ATOM 1281 CA GLY A 87 7.809 9.837 9.142 1.00 0.00 C ATOM 1282 C GLY A 87 6.434 10.326 9.601 1.00 0.00 C ATOM 1283 O GLY A 87 6.174 10.424 10.800 1.00 0.00 O ATOM 0 H GLY A 87 7.927 10.008 7.058 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.167 9.061 9.818 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.525 10.657 9.190 1.00 0.00 H new ATOM 1287 N ALA A 88 5.589 10.621 8.625 1.00 0.00 N ATOM 1288 CA ALA A 88 4.247 11.098 8.913 1.00 0.00 C ATOM 1289 C ALA A 88 3.434 9.968 9.546 1.00 0.00 C ATOM 1290 O ALA A 88 2.329 10.193 10.039 1.00 0.00 O ATOM 1291 CB ALA A 88 3.607 11.629 7.630 1.00 0.00 C ATOM 0 H ALA A 88 5.808 10.539 7.632 1.00 0.00 H new ATOM 0 HA ALA A 88 4.278 11.922 9.626 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.600 11.987 7.847 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.207 12.450 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.557 10.830 6.891 1.00 0.00 H new ATOM 1297 N GLY A 89 4.012 8.776 9.513 1.00 0.00 N ATOM 1298 CA GLY A 89 3.354 7.609 10.078 1.00 0.00 C ATOM 1299 C GLY A 89 2.250 7.101 9.149 1.00 0.00 C ATOM 1300 O GLY A 89 1.070 7.148 9.498 1.00 0.00 O ATOM 0 H GLY A 89 4.928 8.593 9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.086 6.819 10.245 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.930 7.861 11.050 1.00 0.00 H new ATOM 1304 N MET A 90 2.669 6.625 7.986 1.00 0.00 N ATOM 1305 CA MET A 90 1.730 6.106 7.006 1.00 0.00 C ATOM 1306 C MET A 90 2.125 4.697 6.559 1.00 0.00 C ATOM 1307 O MET A 90 2.674 4.517 5.474 1.00 0.00 O ATOM 1308 CB MET A 90 1.696 7.036 5.792 1.00 0.00 C ATOM 1309 CG MET A 90 0.759 6.493 4.711 1.00 0.00 C ATOM 1310 SD MET A 90 0.020 7.843 3.808 1.00 0.00 S ATOM 1311 CE MET A 90 -0.374 7.013 2.277 1.00 0.00 C ATOM 0 H MET A 90 3.647 6.588 7.700 1.00 0.00 H new ATOM 0 HA MET A 90 0.743 6.056 7.466 1.00 0.00 H new ATOM 0 HB2 MET A 90 1.366 8.029 6.099 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.701 7.146 5.385 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.313 5.848 4.029 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.019 5.881 5.167 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.355 7.337 1.930 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.376 7.260 1.526 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.384 5.935 2.439 1.00 0.00 H new ATOM 1321 N VAL A 91 1.830 3.734 7.421 1.00 0.00 N ATOM 1322 CA VAL A 91 2.147 2.347 7.128 1.00 0.00 C ATOM 1323 C VAL A 91 0.895 1.490 7.326 1.00 0.00 C ATOM 1324 O VAL A 91 -0.013 1.870 8.064 1.00 0.00 O ATOM 1325 CB VAL A 91 3.327 1.887 7.987 1.00 0.00 C ATOM 1326 CG1 VAL A 91 4.641 2.477 7.472 1.00 0.00 C ATOM 1327 CG2 VAL A 91 3.106 2.243 9.459 1.00 0.00 C ATOM 0 H VAL A 91 1.375 3.887 8.321 1.00 0.00 H new ATOM 0 HA VAL A 91 2.456 2.237 6.089 1.00 0.00 H new ATOM 0 HB VAL A 91 3.394 0.802 7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.464 2.135 8.099 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.808 2.152 6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.588 3.565 7.504 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.959 1.905 10.047 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.001 3.323 9.560 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.201 1.755 9.819 1.00 0.00 H new ATOM 1337 N GLY A 92 0.885 0.348 6.651 1.00 0.00 N ATOM 1338 CA GLY A 92 -0.240 -0.565 6.744 1.00 0.00 C ATOM 1339 C GLY A 92 0.223 -2.019 6.635 1.00 0.00 C ATOM 1340 O GLY A 92 1.420 -2.299 6.697 1.00 0.00 O ATOM 0 H GLY A 92 1.638 0.036 6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.758 -0.415 7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.956 -0.347 5.952 1.00 0.00 H new ATOM 1344 N THR A 93 -0.747 -2.907 6.473 1.00 0.00 N ATOM 1345 CA THR A 93 -0.453 -4.324 6.355 1.00 0.00 C ATOM 1346 C THR A 93 -1.458 -5.001 5.420 1.00 0.00 C ATOM 1347 O THR A 93 -2.532 -4.459 5.162 1.00 0.00 O ATOM 1348 CB THR A 93 -0.435 -4.923 7.762 1.00 0.00 C ATOM 1349 OG1 THR A 93 0.139 -3.897 8.568 1.00 0.00 O ATOM 1350 CG2 THR A 93 0.548 -6.089 7.890 1.00 0.00 C ATOM 0 H THR A 93 -1.738 -2.672 6.421 1.00 0.00 H new ATOM 0 HA THR A 93 0.526 -4.488 5.904 1.00 0.00 H new ATOM 0 HB THR A 93 -1.437 -5.262 8.025 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.187 -4.201 9.499 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.521 -6.477 8.908 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.268 -6.879 7.193 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.556 -5.742 7.660 1.00 0.00 H new ATOM 1358 N ILE A 94 -1.075 -6.174 4.941 1.00 0.00 N ATOM 1359 CA ILE A 94 -1.928 -6.931 4.041 1.00 0.00 C ATOM 1360 C ILE A 94 -1.658 -8.426 4.223 1.00 0.00 C ATOM 1361 O ILE A 94 -0.560 -8.901 3.935 1.00 0.00 O ATOM 1362 CB ILE A 94 -1.753 -6.445 2.601 1.00 0.00 C ATOM 1363 CG1 ILE A 94 -2.169 -4.980 2.461 1.00 0.00 C ATOM 1364 CG2 ILE A 94 -2.505 -7.350 1.621 1.00 0.00 C ATOM 1365 CD1 ILE A 94 -2.029 -4.505 1.014 1.00 0.00 C ATOM 0 H ILE A 94 -0.184 -6.620 5.159 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.978 -6.766 4.284 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.694 -6.504 2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.201 -4.859 2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.553 -4.360 3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.364 -6.982 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.120 -8.367 1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.568 -7.346 1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.331 -3.460 0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.991 -4.605 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.665 -5.111 0.369 1.00 0.00 H new ATOM 1377 N THR A 95 -2.677 -9.125 4.701 1.00 0.00 N ATOM 1378 CA THR A 95 -2.562 -10.556 4.925 1.00 0.00 C ATOM 1379 C THR A 95 -3.269 -11.329 3.810 1.00 0.00 C ATOM 1380 O THR A 95 -4.271 -10.865 3.268 1.00 0.00 O ATOM 1381 CB THR A 95 -3.111 -10.862 6.319 1.00 0.00 C ATOM 1382 OG1 THR A 95 -2.258 -10.132 7.197 1.00 0.00 O ATOM 1383 CG2 THR A 95 -2.901 -12.322 6.724 1.00 0.00 C ATOM 0 H THR A 95 -3.586 -8.727 4.939 1.00 0.00 H new ATOM 0 HA THR A 95 -1.521 -10.879 4.892 1.00 0.00 H new ATOM 0 HB THR A 95 -4.175 -10.627 6.349 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.544 -10.273 8.124 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.309 -12.485 7.722 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.409 -12.973 6.013 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.835 -12.549 6.726 1.00 0.00 H new ATOM 1391 N VAL A 96 -2.721 -12.495 3.502 1.00 0.00 N ATOM 1392 CA VAL A 96 -3.286 -13.336 2.461 1.00 0.00 C ATOM 1393 C VAL A 96 -3.513 -14.744 3.016 1.00 0.00 C ATOM 1394 O VAL A 96 -2.786 -15.674 2.674 1.00 0.00 O ATOM 1395 CB VAL A 96 -2.384 -13.320 1.225 1.00 0.00 C ATOM 1396 CG1 VAL A 96 -2.639 -14.544 0.344 1.00 0.00 C ATOM 1397 CG2 VAL A 96 -2.566 -12.024 0.431 1.00 0.00 C ATOM 0 H VAL A 96 -1.891 -12.877 3.955 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.255 -12.950 2.144 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.349 -13.362 1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.985 -14.508 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.435 -15.451 0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.679 -14.547 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.914 -12.038 -0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.603 -11.938 0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.310 -11.172 1.061 1.00 0.00 H new ATOM 1407 N GLU A 97 -4.525 -14.855 3.865 1.00 0.00 N ATOM 1408 CA GLU A 97 -4.856 -16.133 4.471 1.00 0.00 C ATOM 1409 C GLU A 97 -5.668 -16.988 3.496 1.00 0.00 C ATOM 1410 O GLU A 97 -5.252 -18.087 3.135 1.00 0.00 O ATOM 1411 CB GLU A 97 -5.611 -15.936 5.788 1.00 0.00 C ATOM 1412 CG GLU A 97 -4.650 -15.951 6.978 1.00 0.00 C ATOM 1413 CD GLU A 97 -5.002 -17.076 7.953 1.00 0.00 C ATOM 1414 OE1 GLU A 97 -4.560 -18.215 7.689 1.00 0.00 O ATOM 1415 OE2 GLU A 97 -5.706 -16.772 8.940 1.00 0.00 O ATOM 1416 OXT GLU A 97 -6.813 -16.451 3.099 1.00 0.00 O ATOM 0 H GLU A 97 -5.126 -14.081 4.147 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.928 -16.657 4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.151 -14.989 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.355 -16.724 5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.628 -16.080 6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.690 -14.992 7.494 1.00 0.00 H new TER 1423 GLU A 97 HETATM 1424 CU CU1 A 110 1.298 8.887 1.353 1.00 0.00 CU