USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 598 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 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 67 HIS HD1 : A 67 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0418 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 42:sc= 0.223 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -152:sc= -0.389 (180deg=-1.85!) USER MOD Single : A 29 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.24) USER MOD Single : A 34 ASN : amide:sc= -0.931 K(o=-0.93,f=0.064!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.925 USER MOD Single : A 50 SER OG : rot -60:sc= -0.191 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0221 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= 0.295 (180deg=-0.154!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= -0.0312 (180deg=-0.302) USER MOD Single : A 79 SER OG : rot 180:sc= -0.0686 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -64.249 -25.577 -6.408 1.00 0.00 N ATOM 2 CA GLY A 1 -63.124 -25.122 -5.612 1.00 0.00 C ATOM 3 C GLY A 1 -62.551 -23.811 -6.114 1.00 0.00 C ATOM 4 O GLY A 1 -62.673 -23.484 -7.295 1.00 0.00 O ATOM 0 H1 GLY A 1 -65.128 -25.462 -5.864 1.00 0.00 H new ATOM 0 H2 GLY A 1 -64.306 -25.015 -7.281 1.00 0.00 H new ATOM 0 H3 GLY A 1 -64.120 -26.580 -6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -63.440 -25.004 -4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -62.344 -25.883 -5.622 1.00 0.00 H new ATOM 8 N SER A 2 -61.926 -23.058 -5.216 1.00 0.00 N ATOM 9 CA SER A 2 -61.337 -21.772 -5.573 1.00 0.00 C ATOM 10 C SER A 2 -60.055 -21.524 -4.784 1.00 0.00 C ATOM 11 O SER A 2 -59.773 -22.213 -3.804 1.00 0.00 O ATOM 12 CB SER A 2 -62.335 -20.641 -5.315 1.00 0.00 C ATOM 13 OG SER A 2 -62.605 -20.506 -3.931 1.00 0.00 O ATOM 0 H SER A 2 -61.814 -23.315 -4.235 1.00 0.00 H new ATOM 0 HA SER A 2 -61.091 -21.795 -6.635 1.00 0.00 H new ATOM 0 HB2 SER A 2 -61.936 -19.704 -5.704 1.00 0.00 H new ATOM 0 HB3 SER A 2 -63.262 -20.840 -5.852 1.00 0.00 H new ATOM 0 HG SER A 2 -63.244 -19.776 -3.792 1.00 0.00 H new ATOM 19 N SER A 3 -59.281 -20.535 -5.220 1.00 0.00 N ATOM 20 CA SER A 3 -58.027 -20.197 -4.559 1.00 0.00 C ATOM 21 C SER A 3 -57.405 -18.948 -5.177 1.00 0.00 C ATOM 22 O SER A 3 -57.803 -18.513 -6.256 1.00 0.00 O ATOM 23 CB SER A 3 -57.046 -21.367 -4.651 1.00 0.00 C ATOM 24 OG SER A 3 -56.684 -21.625 -5.996 1.00 0.00 O ATOM 0 H SER A 3 -59.501 -19.954 -6.029 1.00 0.00 H new ATOM 0 HA SER A 3 -58.242 -19.993 -3.510 1.00 0.00 H new ATOM 0 HB2 SER A 3 -56.153 -21.143 -4.067 1.00 0.00 H new ATOM 0 HB3 SER A 3 -57.497 -22.259 -4.215 1.00 0.00 H new ATOM 0 HG SER A 3 -56.055 -22.376 -6.027 1.00 0.00 H new ATOM 30 N GLY A 4 -56.426 -18.376 -4.482 1.00 0.00 N ATOM 31 CA GLY A 4 -55.765 -17.182 -4.977 1.00 0.00 C ATOM 32 C GLY A 4 -54.715 -16.661 -4.017 1.00 0.00 C ATOM 33 O GLY A 4 -54.701 -17.029 -2.842 1.00 0.00 O ATOM 0 H GLY A 4 -56.079 -18.718 -3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -55.298 -17.401 -5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -56.509 -16.405 -5.153 1.00 0.00 H new ATOM 37 N SER A 5 -53.833 -15.802 -4.517 1.00 0.00 N ATOM 38 CA SER A 5 -52.770 -15.233 -3.696 1.00 0.00 C ATOM 39 C SER A 5 -52.394 -13.838 -4.185 1.00 0.00 C ATOM 40 O SER A 5 -52.846 -13.395 -5.241 1.00 0.00 O ATOM 41 CB SER A 5 -51.539 -16.141 -3.716 1.00 0.00 C ATOM 42 OG SER A 5 -50.905 -16.114 -4.983 1.00 0.00 O ATOM 0 H SER A 5 -53.833 -15.485 -5.486 1.00 0.00 H new ATOM 0 HA SER A 5 -53.138 -15.154 -2.673 1.00 0.00 H new ATOM 0 HB2 SER A 5 -50.835 -15.822 -2.947 1.00 0.00 H new ATOM 0 HB3 SER A 5 -51.833 -17.163 -3.475 1.00 0.00 H new ATOM 0 HG SER A 5 -50.120 -16.701 -4.969 1.00 0.00 H new ATOM 48 N SER A 6 -51.563 -13.149 -3.409 1.00 0.00 N ATOM 49 CA SER A 6 -51.129 -11.802 -3.760 1.00 0.00 C ATOM 50 C SER A 6 -49.678 -11.574 -3.345 1.00 0.00 C ATOM 51 O SER A 6 -49.229 -12.074 -2.315 1.00 0.00 O ATOM 52 CB SER A 6 -52.031 -10.762 -3.092 1.00 0.00 C ATOM 53 OG SER A 6 -51.945 -9.512 -3.754 1.00 0.00 O ATOM 0 H SER A 6 -51.177 -13.502 -2.533 1.00 0.00 H new ATOM 0 HA SER A 6 -51.201 -11.694 -4.842 1.00 0.00 H new ATOM 0 HB2 SER A 6 -53.063 -11.112 -3.101 1.00 0.00 H new ATOM 0 HB3 SER A 6 -51.744 -10.644 -2.047 1.00 0.00 H new ATOM 0 HG SER A 6 -52.532 -8.865 -3.309 1.00 0.00 H new ATOM 59 N GLY A 7 -48.950 -10.815 -4.158 1.00 0.00 N ATOM 60 CA GLY A 7 -47.557 -10.533 -3.860 1.00 0.00 C ATOM 61 C GLY A 7 -47.150 -9.131 -4.267 1.00 0.00 C ATOM 62 O GLY A 7 -47.906 -8.425 -4.934 1.00 0.00 O ATOM 0 H GLY A 7 -49.299 -10.390 -5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -47.384 -10.663 -2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -46.925 -11.256 -4.376 1.00 0.00 H new ATOM 66 N THR A 8 -45.950 -8.725 -3.863 1.00 0.00 N ATOM 67 CA THR A 8 -45.444 -7.397 -4.186 1.00 0.00 C ATOM 68 C THR A 8 -43.920 -7.380 -4.212 1.00 0.00 C ATOM 69 O THR A 8 -43.267 -7.895 -3.303 1.00 0.00 O ATOM 70 CB THR A 8 -45.941 -6.345 -3.177 1.00 0.00 C ATOM 71 OG1 THR A 8 -45.267 -5.100 -3.395 1.00 0.00 O ATOM 72 CG2 THR A 8 -45.704 -6.811 -1.748 1.00 0.00 C ATOM 0 H THR A 8 -45.311 -9.297 -3.311 1.00 0.00 H new ATOM 0 HA THR A 8 -45.824 -7.147 -5.177 1.00 0.00 H new ATOM 0 HB THR A 8 -47.012 -6.209 -3.326 1.00 0.00 H new ATOM 0 HG1 THR A 8 -45.590 -4.436 -2.751 1.00 0.00 H new ATOM 0 HG21 THR A 8 -46.063 -6.052 -1.053 1.00 0.00 H new ATOM 0 HG22 THR A 8 -46.241 -7.744 -1.576 1.00 0.00 H new ATOM 0 HG23 THR A 8 -44.638 -6.972 -1.590 1.00 0.00 H new ATOM 80 N THR A 9 -43.356 -6.785 -5.258 1.00 0.00 N ATOM 81 CA THR A 9 -41.908 -6.702 -5.402 1.00 0.00 C ATOM 82 C THR A 9 -41.465 -5.272 -5.692 1.00 0.00 C ATOM 83 O THR A 9 -41.780 -4.716 -6.745 1.00 0.00 O ATOM 84 CB THR A 9 -41.401 -7.622 -6.528 1.00 0.00 C ATOM 85 OG1 THR A 9 -42.168 -7.409 -7.718 1.00 0.00 O ATOM 86 CG2 THR A 9 -41.494 -9.084 -6.114 1.00 0.00 C ATOM 0 H THR A 9 -43.881 -6.353 -6.019 1.00 0.00 H new ATOM 0 HA THR A 9 -41.478 -7.028 -4.455 1.00 0.00 H new ATOM 0 HB THR A 9 -40.356 -7.380 -6.722 1.00 0.00 H new ATOM 0 HG1 THR A 9 -42.326 -6.449 -7.838 1.00 0.00 H new ATOM 0 HG21 THR A 9 -41.131 -9.716 -6.925 1.00 0.00 H new ATOM 0 HG22 THR A 9 -40.886 -9.250 -5.225 1.00 0.00 H new ATOM 0 HG23 THR A 9 -42.532 -9.335 -5.896 1.00 0.00 H new ATOM 94 N LEU A 10 -40.734 -4.682 -4.753 1.00 0.00 N ATOM 95 CA LEU A 10 -40.247 -3.316 -4.909 1.00 0.00 C ATOM 96 C LEU A 10 -39.088 -3.039 -3.956 1.00 0.00 C ATOM 97 O LEU A 10 -39.273 -2.975 -2.741 1.00 0.00 O ATOM 98 CB LEU A 10 -41.379 -2.318 -4.657 1.00 0.00 C ATOM 99 CG LEU A 10 -41.279 -0.988 -5.405 1.00 0.00 C ATOM 100 CD1 LEU A 10 -40.023 -0.237 -4.993 1.00 0.00 C ATOM 101 CD2 LEU A 10 -41.296 -1.219 -6.909 1.00 0.00 C ATOM 0 H LEU A 10 -40.465 -5.128 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 10 -39.889 -3.199 -5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -42.322 -2.793 -4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -41.421 -2.109 -3.588 1.00 0.00 H new ATOM 0 HG LEU A 10 -42.144 -0.379 -5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -39.969 0.707 -5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -40.053 -0.038 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -39.146 -0.840 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -41.224 -0.262 -7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -40.451 -1.847 -7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -42.225 -1.714 -7.191 1.00 0.00 H new ATOM 113 N ALA A 11 -37.895 -2.873 -4.517 1.00 0.00 N ATOM 114 CA ALA A 11 -36.707 -2.599 -3.718 1.00 0.00 C ATOM 115 C ALA A 11 -35.676 -1.811 -4.519 1.00 0.00 C ATOM 116 O ALA A 11 -35.165 -2.290 -5.531 1.00 0.00 O ATOM 117 CB ALA A 11 -36.102 -3.898 -3.208 1.00 0.00 C ATOM 0 H ALA A 11 -37.725 -2.923 -5.522 1.00 0.00 H new ATOM 0 HA ALA A 11 -37.006 -1.991 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -35.216 -3.678 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -36.832 -4.422 -2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -35.824 -4.527 -4.054 1.00 0.00 H new ATOM 123 N SER A 12 -35.376 -0.600 -4.060 1.00 0.00 N ATOM 124 CA SER A 12 -34.409 0.256 -4.737 1.00 0.00 C ATOM 125 C SER A 12 -33.359 0.771 -3.757 1.00 0.00 C ATOM 126 O SER A 12 -33.686 1.202 -2.651 1.00 0.00 O ATOM 127 CB SER A 12 -35.119 1.433 -5.407 1.00 0.00 C ATOM 128 OG SER A 12 -36.098 0.982 -6.327 1.00 0.00 O ATOM 0 H SER A 12 -35.789 -0.190 -3.222 1.00 0.00 H new ATOM 0 HA SER A 12 -33.907 -0.338 -5.501 1.00 0.00 H new ATOM 0 HB2 SER A 12 -35.590 2.058 -4.648 1.00 0.00 H new ATOM 0 HB3 SER A 12 -34.389 2.055 -5.924 1.00 0.00 H new ATOM 0 HG SER A 12 -36.539 1.754 -6.740 1.00 0.00 H new ATOM 134 N ILE A 13 -32.098 0.724 -4.172 1.00 0.00 N ATOM 135 CA ILE A 13 -31.000 1.187 -3.332 1.00 0.00 C ATOM 136 C ILE A 13 -30.042 2.075 -4.119 1.00 0.00 C ATOM 137 O ILE A 13 -29.896 1.926 -5.331 1.00 0.00 O ATOM 138 CB ILE A 13 -30.213 0.006 -2.733 1.00 0.00 C ATOM 139 CG1 ILE A 13 -29.599 -0.843 -3.847 1.00 0.00 C ATOM 140 CG2 ILE A 13 -31.119 -0.841 -1.852 1.00 0.00 C ATOM 141 CD1 ILE A 13 -28.245 -0.349 -4.307 1.00 0.00 C ATOM 0 H ILE A 13 -31.811 0.370 -5.085 1.00 0.00 H new ATOM 0 HA ILE A 13 -31.445 1.765 -2.522 1.00 0.00 H new ATOM 0 HB ILE A 13 -29.406 0.401 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -29.502 -1.871 -3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -30.280 -0.858 -4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -30.549 -1.672 -1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -31.513 -0.229 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -31.945 -1.230 -2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -27.870 -0.999 -5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -28.339 0.668 -4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -27.549 -0.360 -3.468 1.00 0.00 H new ATOM 153 N GLY A 14 -29.391 2.999 -3.419 1.00 0.00 N ATOM 154 CA GLY A 14 -28.453 3.896 -4.068 1.00 0.00 C ATOM 155 C GLY A 14 -28.695 5.348 -3.705 1.00 0.00 C ATOM 156 O GLY A 14 -29.732 5.917 -4.046 1.00 0.00 O ATOM 0 H GLY A 14 -29.496 3.142 -2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -27.437 3.619 -3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -28.529 3.777 -5.149 1.00 0.00 H new ATOM 160 N LYS A 15 -27.736 5.950 -3.010 1.00 0.00 N ATOM 161 CA LYS A 15 -27.848 7.344 -2.599 1.00 0.00 C ATOM 162 C LYS A 15 -26.563 8.107 -2.906 1.00 0.00 C ATOM 163 O LYS A 15 -25.467 7.552 -2.829 1.00 0.00 O ATOM 164 CB LYS A 15 -28.161 7.433 -1.104 1.00 0.00 C ATOM 165 CG LYS A 15 -27.128 6.751 -0.224 1.00 0.00 C ATOM 166 CD LYS A 15 -27.472 5.289 0.008 1.00 0.00 C ATOM 167 CE LYS A 15 -26.238 4.477 0.371 1.00 0.00 C ATOM 168 NZ LYS A 15 -26.594 3.122 0.877 1.00 0.00 N ATOM 0 H LYS A 15 -26.871 5.493 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 15 -28.663 7.798 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -28.233 8.482 -0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -29.137 6.984 -0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -26.146 6.825 -0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -27.066 7.268 0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -28.209 5.210 0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -27.930 4.875 -0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -25.596 4.380 -0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -25.664 5.009 1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -25.726 2.600 1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -27.185 3.213 1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -27.120 2.605 0.144 1.00 0.00 H new ATOM 182 N ASP A 16 -26.706 9.381 -3.253 1.00 0.00 N ATOM 183 CA ASP A 16 -25.556 10.221 -3.570 1.00 0.00 C ATOM 184 C ASP A 16 -25.007 10.887 -2.312 1.00 0.00 C ATOM 185 O ASP A 16 -25.713 11.637 -1.637 1.00 0.00 O ATOM 186 CB ASP A 16 -25.942 11.285 -4.599 1.00 0.00 C ATOM 187 CG ASP A 16 -26.905 10.757 -5.644 1.00 0.00 C ATOM 188 OD1 ASP A 16 -26.793 9.567 -6.006 1.00 0.00 O ATOM 189 OD2 ASP A 16 -27.770 11.534 -6.101 1.00 0.00 O ATOM 0 H ASP A 16 -27.606 9.855 -3.322 1.00 0.00 H new ATOM 0 HA ASP A 16 -24.778 9.585 -3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -26.395 12.134 -4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -25.042 11.653 -5.091 1.00 0.00 H new ATOM 194 N ILE A 17 -23.746 10.607 -2.003 1.00 0.00 N ATOM 195 CA ILE A 17 -23.103 11.179 -0.826 1.00 0.00 C ATOM 196 C ILE A 17 -22.585 12.585 -1.112 1.00 0.00 C ATOM 197 O ILE A 17 -21.991 12.837 -2.161 1.00 0.00 O ATOM 198 CB ILE A 17 -21.934 10.302 -0.341 1.00 0.00 C ATOM 199 CG1 ILE A 17 -22.452 8.948 0.147 1.00 0.00 C ATOM 200 CG2 ILE A 17 -21.164 11.010 0.764 1.00 0.00 C ATOM 201 CD1 ILE A 17 -23.324 9.043 1.379 1.00 0.00 C ATOM 0 H ILE A 17 -23.149 9.988 -2.551 1.00 0.00 H new ATOM 0 HA ILE A 17 -23.860 11.225 -0.043 1.00 0.00 H new ATOM 0 HB ILE A 17 -21.256 10.131 -1.177 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -23.020 8.475 -0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -21.603 8.299 0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -20.341 10.378 1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -20.768 11.952 0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -21.831 11.208 1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -23.655 8.046 1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -22.754 9.487 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -24.192 9.665 1.163 1.00 0.00 H new ATOM 213 N ILE A 18 -22.811 13.495 -0.171 1.00 0.00 N ATOM 214 CA ILE A 18 -22.365 14.875 -0.321 1.00 0.00 C ATOM 215 C ILE A 18 -20.849 14.949 -0.469 1.00 0.00 C ATOM 216 O ILE A 18 -20.110 14.335 0.300 1.00 0.00 O ATOM 217 CB ILE A 18 -22.794 15.739 0.879 1.00 0.00 C ATOM 218 CG1 ILE A 18 -21.964 15.384 2.114 1.00 0.00 C ATOM 219 CG2 ILE A 18 -24.278 15.554 1.161 1.00 0.00 C ATOM 220 CD1 ILE A 18 -22.081 13.933 2.526 1.00 0.00 C ATOM 0 H ILE A 18 -23.300 13.302 0.703 1.00 0.00 H new ATOM 0 HA ILE A 18 -22.836 15.262 -1.224 1.00 0.00 H new ATOM 0 HB ILE A 18 -22.618 16.787 0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -20.917 15.613 1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -22.277 16.015 2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -24.566 16.171 2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -24.855 15.851 0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -24.477 14.507 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -21.466 13.754 3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -23.121 13.703 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -21.740 13.295 1.711 1.00 0.00 H new ATOM 232 N GLU A 19 -20.393 15.705 -1.463 1.00 0.00 N ATOM 233 CA GLU A 19 -18.965 15.860 -1.711 1.00 0.00 C ATOM 234 C GLU A 19 -18.347 16.856 -0.734 1.00 0.00 C ATOM 235 O GLU A 19 -19.054 17.504 0.038 1.00 0.00 O ATOM 236 CB GLU A 19 -18.722 16.323 -3.149 1.00 0.00 C ATOM 237 CG GLU A 19 -18.947 15.234 -4.185 1.00 0.00 C ATOM 238 CD GLU A 19 -17.869 14.168 -4.155 1.00 0.00 C ATOM 239 OE1 GLU A 19 -16.738 14.481 -3.727 1.00 0.00 O ATOM 240 OE2 GLU A 19 -18.155 13.022 -4.560 1.00 0.00 O ATOM 0 H GLU A 19 -20.992 16.219 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 19 -18.490 14.890 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.381 17.163 -3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.699 16.690 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -19.918 14.769 -4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.981 15.683 -5.177 1.00 0.00 H new ATOM 247 N ASP A 20 -17.025 16.972 -0.773 1.00 0.00 N ATOM 248 CA ASP A 20 -16.311 17.888 0.109 1.00 0.00 C ATOM 249 C ASP A 20 -16.754 19.328 -0.131 1.00 0.00 C ATOM 250 O ASP A 20 -17.261 19.662 -1.201 1.00 0.00 O ATOM 251 CB ASP A 20 -14.801 17.764 -0.106 1.00 0.00 C ATOM 252 CG ASP A 20 -14.172 16.723 0.800 1.00 0.00 C ATOM 253 OD1 ASP A 20 -14.190 15.530 0.433 1.00 0.00 O ATOM 254 OD2 ASP A 20 -13.662 17.102 1.875 1.00 0.00 O ATOM 0 H ASP A 20 -16.425 16.443 -1.406 1.00 0.00 H new ATOM 0 HA ASP A 20 -16.547 17.620 1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.605 17.503 -1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.330 18.731 0.074 1.00 0.00 H new ATOM 259 N ALA A 21 -16.560 20.176 0.874 1.00 0.00 N ATOM 260 CA ALA A 21 -16.939 21.580 0.772 1.00 0.00 C ATOM 261 C ALA A 21 -15.979 22.343 -0.134 1.00 0.00 C ATOM 262 O ALA A 21 -16.401 23.012 -1.078 1.00 0.00 O ATOM 263 CB ALA A 21 -16.982 22.216 2.154 1.00 0.00 C ATOM 0 H ALA A 21 -16.143 19.915 1.768 1.00 0.00 H new ATOM 0 HA ALA A 21 -17.934 21.632 0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -17.266 23.264 2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -17.712 21.694 2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.998 22.146 2.618 1.00 0.00 H new ATOM 269 N ASP A 22 -14.688 22.240 0.159 1.00 0.00 N ATOM 270 CA ASP A 22 -13.668 22.920 -0.631 1.00 0.00 C ATOM 271 C ASP A 22 -12.551 21.958 -1.021 1.00 0.00 C ATOM 272 O ASP A 22 -12.028 21.225 -0.182 1.00 0.00 O ATOM 273 CB ASP A 22 -13.091 24.101 0.152 1.00 0.00 C ATOM 274 CG ASP A 22 -12.382 23.665 1.419 1.00 0.00 C ATOM 275 OD1 ASP A 22 -13.069 23.440 2.437 1.00 0.00 O ATOM 276 OD2 ASP A 22 -11.139 23.548 1.392 1.00 0.00 O ATOM 0 H ASP A 22 -14.322 21.692 0.938 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.137 23.292 -1.542 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.393 24.647 -0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.895 24.791 0.408 1.00 0.00 H new ATOM 281 N GLY A 23 -12.189 21.965 -2.300 1.00 0.00 N ATOM 282 CA GLY A 23 -11.137 21.088 -2.779 1.00 0.00 C ATOM 283 C GLY A 23 -11.499 19.622 -2.646 1.00 0.00 C ATOM 284 O GLY A 23 -11.144 18.975 -1.661 1.00 0.00 O ATOM 0 H GLY A 23 -12.606 22.563 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.928 21.314 -3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.222 21.285 -2.221 1.00 0.00 H new ATOM 288 N ILE A 24 -12.210 19.098 -3.639 1.00 0.00 N ATOM 289 CA ILE A 24 -12.620 17.699 -3.628 1.00 0.00 C ATOM 290 C ILE A 24 -11.410 16.771 -3.610 1.00 0.00 C ATOM 291 O ILE A 24 -10.440 16.986 -4.335 1.00 0.00 O ATOM 292 CB ILE A 24 -13.496 17.359 -4.849 1.00 0.00 C ATOM 293 CG1 ILE A 24 -14.689 18.314 -4.929 1.00 0.00 C ATOM 294 CG2 ILE A 24 -13.969 15.916 -4.776 1.00 0.00 C ATOM 295 CD1 ILE A 24 -15.444 18.448 -3.625 1.00 0.00 C ATOM 0 H ILE A 24 -12.514 19.621 -4.461 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.203 17.549 -2.720 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.898 17.479 -5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -14.336 19.298 -5.238 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -15.373 17.964 -5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -14.587 15.691 -5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.106 15.250 -4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.554 15.770 -3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.276 19.140 -3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.827 17.473 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.774 18.828 -2.854 1.00 0.00 H new ATOM 307 N ALA A 25 -11.477 15.737 -2.778 1.00 0.00 N ATOM 308 CA ALA A 25 -10.388 14.773 -2.669 1.00 0.00 C ATOM 309 C ALA A 25 -10.881 13.356 -2.942 1.00 0.00 C ATOM 310 O ALA A 25 -11.803 12.872 -2.286 1.00 0.00 O ATOM 311 CB ALA A 25 -9.748 14.855 -1.291 1.00 0.00 C ATOM 0 H ALA A 25 -12.273 15.545 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.639 15.020 -3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.937 14.130 -1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.353 15.858 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.496 14.635 -0.529 1.00 0.00 H new ATOM 317 N MET A 26 -10.260 12.696 -3.914 1.00 0.00 N ATOM 318 CA MET A 26 -10.635 11.333 -4.273 1.00 0.00 C ATOM 319 C MET A 26 -9.493 10.363 -3.992 1.00 0.00 C ATOM 320 O MET A 26 -8.394 10.485 -4.534 1.00 0.00 O ATOM 321 CB MET A 26 -11.029 11.262 -5.749 1.00 0.00 C ATOM 322 CG MET A 26 -12.047 12.314 -6.158 1.00 0.00 C ATOM 323 SD MET A 26 -13.719 11.909 -5.617 1.00 0.00 S ATOM 324 CE MET A 26 -13.955 10.319 -6.406 1.00 0.00 C ATOM 0 H MET A 26 -9.495 13.083 -4.467 1.00 0.00 H new ATOM 0 HA MET A 26 -11.491 11.045 -3.662 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.134 11.377 -6.361 1.00 0.00 H new ATOM 0 HB3 MET A 26 -11.436 10.273 -5.961 1.00 0.00 H new ATOM 0 HG2 MET A 26 -11.757 13.277 -5.739 1.00 0.00 H new ATOM 0 HG3 MET A 26 -12.036 12.422 -7.243 1.00 0.00 H new ATOM 0 HE1 MET A 26 -15.016 10.164 -6.602 1.00 0.00 H new ATOM 0 HE2 MET A 26 -13.405 10.294 -7.347 1.00 0.00 H new ATOM 0 HE3 MET A 26 -13.588 9.529 -5.750 1.00 0.00 H new ATOM 334 N PRO A 27 -9.755 9.374 -3.123 1.00 0.00 N ATOM 335 CA PRO A 27 -8.760 8.364 -2.751 1.00 0.00 C ATOM 336 C PRO A 27 -8.449 7.407 -3.897 1.00 0.00 C ATOM 337 O PRO A 27 -8.858 7.633 -5.036 1.00 0.00 O ATOM 338 CB PRO A 27 -9.431 7.615 -1.596 1.00 0.00 C ATOM 339 CG PRO A 27 -10.891 7.806 -1.819 1.00 0.00 C ATOM 340 CD PRO A 27 -11.042 9.167 -2.438 1.00 0.00 C ATOM 0 HA PRO A 27 -7.802 8.813 -2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.165 6.558 -1.602 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.122 8.017 -0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.290 7.033 -2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.441 7.741 -0.880 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.879 9.201 -3.136 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.224 9.933 -1.685 1.00 0.00 H new ATOM 348 N HIS A 28 -7.724 6.336 -3.588 1.00 0.00 N ATOM 349 CA HIS A 28 -7.359 5.344 -4.593 1.00 0.00 C ATOM 350 C HIS A 28 -8.291 4.138 -4.528 1.00 0.00 C ATOM 351 O HIS A 28 -8.448 3.519 -3.475 1.00 0.00 O ATOM 352 CB HIS A 28 -5.911 4.896 -4.395 1.00 0.00 C ATOM 353 CG HIS A 28 -4.958 6.030 -4.173 1.00 0.00 C ATOM 354 ND1 HIS A 28 -4.100 6.493 -5.148 1.00 0.00 N ATOM 355 CD2 HIS A 28 -4.732 6.795 -3.080 1.00 0.00 C ATOM 356 CE1 HIS A 28 -3.386 7.493 -4.664 1.00 0.00 C ATOM 357 NE2 HIS A 28 -3.751 7.697 -3.411 1.00 0.00 N ATOM 0 H HIS A 28 -7.378 6.133 -2.650 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.457 5.805 -5.576 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -5.862 4.219 -3.542 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.592 4.330 -5.270 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.230 6.712 -2.125 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -2.632 8.049 -5.201 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.367 8.409 -2.790 1.00 0.00 H new ATOM 365 N GLN A 29 -8.907 3.810 -5.660 1.00 0.00 N ATOM 366 CA GLN A 29 -9.824 2.678 -5.730 1.00 0.00 C ATOM 367 C GLN A 29 -9.059 1.361 -5.794 1.00 0.00 C ATOM 368 O GLN A 29 -8.704 0.890 -6.875 1.00 0.00 O ATOM 369 CB GLN A 29 -10.738 2.811 -6.949 1.00 0.00 C ATOM 370 CG GLN A 29 -12.079 2.114 -6.783 1.00 0.00 C ATOM 371 CD GLN A 29 -13.067 2.934 -5.976 1.00 0.00 C ATOM 372 OE1 GLN A 29 -13.848 3.707 -6.531 1.00 0.00 O ATOM 373 NE2 GLN A 29 -13.038 2.769 -4.659 1.00 0.00 N ATOM 0 H GLN A 29 -8.788 4.312 -6.540 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.433 2.679 -4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.910 3.868 -7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.229 2.399 -7.821 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.501 1.908 -7.767 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.926 1.152 -6.294 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.374 2.117 -4.241 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.680 3.294 -4.065 1.00 0.00 H new ATOM 382 N TRP A 30 -8.807 0.771 -4.631 1.00 0.00 N ATOM 383 CA TRP A 30 -8.083 -0.493 -4.556 1.00 0.00 C ATOM 384 C TRP A 30 -9.006 -1.668 -4.861 1.00 0.00 C ATOM 385 O TRP A 30 -10.053 -1.827 -4.232 1.00 0.00 O ATOM 386 CB TRP A 30 -7.459 -0.665 -3.170 1.00 0.00 C ATOM 387 CG TRP A 30 -6.566 0.472 -2.776 1.00 0.00 C ATOM 388 CD1 TRP A 30 -6.663 1.239 -1.650 1.00 0.00 C ATOM 389 CD2 TRP A 30 -5.440 0.971 -3.507 1.00 0.00 C ATOM 390 NE1 TRP A 30 -5.666 2.184 -1.637 1.00 0.00 N ATOM 391 CE2 TRP A 30 -4.902 2.040 -2.764 1.00 0.00 C ATOM 392 CE3 TRP A 30 -4.834 0.617 -4.715 1.00 0.00 C ATOM 393 CZ2 TRP A 30 -3.788 2.757 -3.193 1.00 0.00 C ATOM 394 CZ3 TRP A 30 -3.728 1.329 -5.139 1.00 0.00 C ATOM 395 CH2 TRP A 30 -3.214 2.389 -4.380 1.00 0.00 C ATOM 0 H TRP A 30 -9.093 1.147 -3.727 1.00 0.00 H new ATOM 0 HA TRP A 30 -7.290 -0.474 -5.304 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -8.254 -0.766 -2.431 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -6.886 -1.592 -3.150 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -7.413 1.120 -0.882 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -5.519 2.880 -0.906 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.223 -0.198 -5.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -3.391 3.575 -2.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.252 1.064 -6.071 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.348 2.926 -4.739 1.00 0.00 H new ATOM 406 N LEU A 31 -8.613 -2.487 -5.829 1.00 0.00 N ATOM 407 CA LEU A 31 -9.405 -3.649 -6.218 1.00 0.00 C ATOM 408 C LEU A 31 -8.614 -4.938 -6.021 1.00 0.00 C ATOM 409 O LEU A 31 -7.687 -5.230 -6.776 1.00 0.00 O ATOM 410 CB LEU A 31 -9.846 -3.525 -7.677 1.00 0.00 C ATOM 411 CG LEU A 31 -11.187 -2.831 -7.917 1.00 0.00 C ATOM 412 CD1 LEU A 31 -10.998 -1.326 -8.021 1.00 0.00 C ATOM 413 CD2 LEU A 31 -11.852 -3.375 -9.173 1.00 0.00 C ATOM 0 H LEU A 31 -7.750 -2.368 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.288 -3.686 -5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.075 -2.981 -8.223 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.896 -4.525 -8.107 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.838 -3.037 -7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.963 -0.849 -8.192 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.566 -0.949 -7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.329 -1.100 -8.852 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.805 -2.870 -9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.205 -3.200 -10.032 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.023 -4.445 -9.060 1.00 0.00 H new ATOM 425 N GLU A 32 -8.989 -5.707 -5.003 1.00 0.00 N ATOM 426 CA GLU A 32 -8.314 -6.966 -4.708 1.00 0.00 C ATOM 427 C GLU A 32 -8.014 -7.735 -5.992 1.00 0.00 C ATOM 428 O GLU A 32 -8.869 -7.860 -6.868 1.00 0.00 O ATOM 429 CB GLU A 32 -9.172 -7.823 -3.775 1.00 0.00 C ATOM 430 CG GLU A 32 -8.505 -9.123 -3.359 1.00 0.00 C ATOM 431 CD GLU A 32 -9.304 -9.881 -2.317 1.00 0.00 C ATOM 432 OE1 GLU A 32 -10.071 -9.237 -1.572 1.00 0.00 O ATOM 433 OE2 GLU A 32 -9.163 -11.120 -2.247 1.00 0.00 O ATOM 0 H GLU A 32 -9.756 -5.480 -4.369 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.370 -6.737 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.411 -7.245 -2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.116 -8.051 -4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.369 -9.754 -4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.512 -8.908 -2.964 1.00 0.00 H new ATOM 440 N GLY A 33 -6.792 -8.249 -6.095 1.00 0.00 N ATOM 441 CA GLY A 33 -6.400 -8.999 -7.274 1.00 0.00 C ATOM 442 C GLY A 33 -6.523 -8.185 -8.546 1.00 0.00 C ATOM 443 O GLY A 33 -6.500 -6.955 -8.509 1.00 0.00 O ATOM 0 H GLY A 33 -6.067 -8.159 -5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.370 -9.336 -7.160 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.020 -9.891 -7.356 1.00 0.00 H new ATOM 447 N ASN A 34 -6.653 -8.872 -9.677 1.00 0.00 N ATOM 448 CA ASN A 34 -6.778 -8.204 -10.967 1.00 0.00 C ATOM 449 C ASN A 34 -5.438 -7.629 -11.414 1.00 0.00 C ATOM 450 O ASN A 34 -5.364 -6.495 -11.889 1.00 0.00 O ATOM 451 CB ASN A 34 -7.824 -7.090 -10.889 1.00 0.00 C ATOM 452 CG ASN A 34 -8.315 -6.661 -12.258 1.00 0.00 C ATOM 453 OD1 ASN A 34 -7.520 -6.377 -13.154 1.00 0.00 O ATOM 454 ND2 ASN A 34 -9.631 -6.612 -12.426 1.00 0.00 N ATOM 0 H ASN A 34 -6.674 -9.891 -9.726 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.099 -8.943 -11.701 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.670 -7.431 -10.293 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.397 -6.230 -10.373 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.020 -6.330 -13.326 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.253 -6.856 -11.655 1.00 0.00 H new ATOM 461 N LEU A 35 -4.381 -8.418 -11.260 1.00 0.00 N ATOM 462 CA LEU A 35 -3.042 -7.988 -11.648 1.00 0.00 C ATOM 463 C LEU A 35 -2.510 -8.836 -12.799 1.00 0.00 C ATOM 464 O LEU A 35 -2.638 -10.061 -12.812 1.00 0.00 O ATOM 465 CB LEU A 35 -2.090 -8.076 -10.453 1.00 0.00 C ATOM 466 CG LEU A 35 -2.033 -6.844 -9.549 1.00 0.00 C ATOM 467 CD1 LEU A 35 -1.605 -5.619 -10.342 1.00 0.00 C ATOM 468 CD2 LEU A 35 -3.382 -6.607 -8.885 1.00 0.00 C ATOM 0 H LEU A 35 -4.425 -9.359 -10.869 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.102 -6.952 -11.981 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.379 -8.934 -9.846 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.086 -8.274 -10.828 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.293 -7.023 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.570 -4.752 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.617 -5.789 -10.770 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.321 -5.436 -11.144 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.323 -5.726 -8.245 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.142 -6.449 -9.651 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.649 -7.476 -8.283 1.00 0.00 H new ATOM 480 N PRO A 36 -1.896 -8.171 -13.789 1.00 0.00 N ATOM 481 CA PRO A 36 -1.330 -8.844 -14.962 1.00 0.00 C ATOM 482 C PRO A 36 -0.094 -9.668 -14.617 1.00 0.00 C ATOM 483 O PRO A 36 0.420 -9.597 -13.501 1.00 0.00 O ATOM 484 CB PRO A 36 -0.958 -7.686 -15.891 1.00 0.00 C ATOM 485 CG PRO A 36 -0.747 -6.525 -14.981 1.00 0.00 C ATOM 486 CD PRO A 36 -1.708 -6.712 -13.840 1.00 0.00 C ATOM 0 HA PRO A 36 -2.031 -9.553 -15.402 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.057 -7.910 -16.462 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.751 -7.486 -16.611 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.282 -6.492 -14.623 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.935 -5.584 -15.499 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.302 -6.326 -12.905 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.649 -6.191 -14.018 1.00 0.00 H new ATOM 494 N VAL A 37 0.378 -10.451 -15.583 1.00 0.00 N ATOM 495 CA VAL A 37 1.555 -11.288 -15.381 1.00 0.00 C ATOM 496 C VAL A 37 2.812 -10.440 -15.229 1.00 0.00 C ATOM 497 O VAL A 37 3.650 -10.703 -14.366 1.00 0.00 O ATOM 498 CB VAL A 37 1.751 -12.271 -16.550 1.00 0.00 C ATOM 499 CG1 VAL A 37 1.835 -11.521 -17.871 1.00 0.00 C ATOM 500 CG2 VAL A 37 2.993 -13.120 -16.329 1.00 0.00 C ATOM 0 H VAL A 37 -0.036 -10.523 -16.512 1.00 0.00 H new ATOM 0 HA VAL A 37 1.388 -11.853 -14.464 1.00 0.00 H new ATOM 0 HB VAL A 37 0.888 -12.935 -16.592 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.974 -12.232 -18.685 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.913 -10.961 -18.031 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.678 -10.831 -17.845 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.116 -13.809 -17.165 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.868 -12.474 -16.260 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.886 -13.687 -15.404 1.00 0.00 H new ATOM 510 N SER A 38 2.938 -9.420 -16.072 1.00 0.00 N ATOM 511 CA SER A 38 4.095 -8.534 -16.033 1.00 0.00 C ATOM 512 C SER A 38 3.789 -7.275 -15.227 1.00 0.00 C ATOM 513 O SER A 38 4.267 -6.188 -15.549 1.00 0.00 O ATOM 514 CB SER A 38 4.520 -8.153 -17.453 1.00 0.00 C ATOM 515 OG SER A 38 5.376 -9.136 -18.010 1.00 0.00 O ATOM 0 H SER A 38 2.253 -9.187 -16.791 1.00 0.00 H new ATOM 0 HA SER A 38 4.913 -9.066 -15.546 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.637 -8.037 -18.081 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.029 -7.189 -17.437 1.00 0.00 H new ATOM 0 HG SER A 38 5.632 -8.870 -18.918 1.00 0.00 H new ATOM 521 N ALA A 39 2.990 -7.433 -14.177 1.00 0.00 N ATOM 522 CA ALA A 39 2.621 -6.311 -13.323 1.00 0.00 C ATOM 523 C ALA A 39 3.824 -5.802 -12.535 1.00 0.00 C ATOM 524 O ALA A 39 4.836 -6.493 -12.411 1.00 0.00 O ATOM 525 CB ALA A 39 1.501 -6.714 -12.376 1.00 0.00 C ATOM 0 H ALA A 39 2.586 -8.327 -13.897 1.00 0.00 H new ATOM 0 HA ALA A 39 2.268 -5.501 -13.962 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.236 -5.866 -11.744 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.630 -7.023 -12.954 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.834 -7.542 -11.751 1.00 0.00 H new ATOM 531 N LYS A 40 3.708 -4.589 -12.006 1.00 0.00 N ATOM 532 CA LYS A 40 4.786 -3.986 -11.230 1.00 0.00 C ATOM 533 C LYS A 40 4.229 -3.054 -10.159 1.00 0.00 C ATOM 534 O LYS A 40 3.130 -2.516 -10.299 1.00 0.00 O ATOM 535 CB LYS A 40 5.735 -3.214 -12.150 1.00 0.00 C ATOM 536 CG LYS A 40 7.161 -3.145 -11.632 1.00 0.00 C ATOM 537 CD LYS A 40 7.837 -4.505 -11.678 1.00 0.00 C ATOM 538 CE LYS A 40 9.255 -4.441 -11.132 1.00 0.00 C ATOM 539 NZ LYS A 40 10.048 -5.646 -11.503 1.00 0.00 N ATOM 0 H LYS A 40 2.878 -4.004 -12.100 1.00 0.00 H new ATOM 0 HA LYS A 40 5.338 -4.787 -10.739 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.737 -3.684 -13.133 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.356 -2.201 -12.282 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.732 -2.434 -12.229 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.159 -2.773 -10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.255 -5.222 -11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.858 -4.868 -12.706 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.751 -3.548 -11.513 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.222 -4.348 -10.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.008 -5.564 -11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.589 -6.496 -11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.101 -5.721 -12.539 1.00 0.00 H new ATOM 553 N CYS A 41 4.994 -2.866 -9.089 1.00 0.00 N ATOM 554 CA CYS A 41 4.578 -1.998 -7.993 1.00 0.00 C ATOM 555 C CYS A 41 5.069 -0.570 -8.214 1.00 0.00 C ATOM 556 O CYS A 41 5.994 -0.333 -8.992 1.00 0.00 O ATOM 557 CB CYS A 41 5.110 -2.532 -6.662 1.00 0.00 C ATOM 558 SG CYS A 41 4.477 -1.647 -5.200 1.00 0.00 S ATOM 0 H CYS A 41 5.906 -3.303 -8.957 1.00 0.00 H new ATOM 0 HA CYS A 41 3.488 -1.988 -7.963 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.850 -3.587 -6.576 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.198 -2.471 -6.667 1.00 0.00 H new ATOM 563 N THR A 42 4.444 0.379 -7.524 1.00 0.00 N ATOM 564 CA THR A 42 4.816 1.783 -7.645 1.00 0.00 C ATOM 565 C THR A 42 5.428 2.303 -6.349 1.00 0.00 C ATOM 566 O THR A 42 6.177 3.279 -6.353 1.00 0.00 O ATOM 567 CB THR A 42 3.601 2.656 -8.013 1.00 0.00 C ATOM 568 OG1 THR A 42 4.030 3.804 -8.754 1.00 0.00 O ATOM 569 CG2 THR A 42 2.857 3.101 -6.763 1.00 0.00 C ATOM 0 H THR A 42 3.677 0.200 -6.875 1.00 0.00 H new ATOM 0 HA THR A 42 5.555 1.847 -8.444 1.00 0.00 H new ATOM 0 HB THR A 42 2.925 2.060 -8.626 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.252 4.353 -8.986 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.003 3.716 -7.047 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.507 2.225 -6.217 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.527 3.681 -6.128 1.00 0.00 H new ATOM 577 N VAL A 43 5.104 1.644 -5.241 1.00 0.00 N ATOM 578 CA VAL A 43 5.623 2.039 -3.937 1.00 0.00 C ATOM 579 C VAL A 43 7.036 1.505 -3.724 1.00 0.00 C ATOM 580 O VAL A 43 7.909 2.213 -3.221 1.00 0.00 O ATOM 581 CB VAL A 43 4.719 1.536 -2.797 1.00 0.00 C ATOM 582 CG1 VAL A 43 5.325 1.877 -1.444 1.00 0.00 C ATOM 583 CG2 VAL A 43 3.321 2.123 -2.927 1.00 0.00 C ATOM 0 H VAL A 43 4.484 0.834 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 43 5.642 3.129 -3.921 1.00 0.00 H new ATOM 0 HB VAL A 43 4.641 0.451 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.672 1.514 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.303 1.404 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.435 2.958 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.695 1.757 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.377 3.211 -2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.888 1.823 -3.881 1.00 0.00 H new ATOM 593 N CYS A 44 7.254 0.253 -4.110 1.00 0.00 N ATOM 594 CA CYS A 44 8.560 -0.378 -3.962 1.00 0.00 C ATOM 595 C CYS A 44 9.233 -0.560 -5.319 1.00 0.00 C ATOM 596 O CYS A 44 10.460 -0.604 -5.414 1.00 0.00 O ATOM 597 CB CYS A 44 8.420 -1.732 -3.263 1.00 0.00 C ATOM 598 SG CYS A 44 7.534 -2.986 -4.244 1.00 0.00 S ATOM 0 H CYS A 44 6.542 -0.346 -4.528 1.00 0.00 H new ATOM 0 HA CYS A 44 9.184 0.275 -3.352 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.414 -2.110 -3.023 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.896 -1.589 -2.318 1.00 0.00 H new ATOM 603 N ASP A 45 8.422 -0.665 -6.366 1.00 0.00 N ATOM 604 CA ASP A 45 8.939 -0.841 -7.718 1.00 0.00 C ATOM 605 C ASP A 45 9.470 -2.257 -7.917 1.00 0.00 C ATOM 606 O ASP A 45 10.474 -2.466 -8.597 1.00 0.00 O ATOM 607 CB ASP A 45 10.045 0.176 -8.001 1.00 0.00 C ATOM 608 CG ASP A 45 10.322 0.333 -9.483 1.00 0.00 C ATOM 609 OD1 ASP A 45 9.428 0.824 -10.204 1.00 0.00 O ATOM 610 OD2 ASP A 45 11.431 -0.036 -9.923 1.00 0.00 O ATOM 0 H ASP A 45 7.404 -0.631 -6.304 1.00 0.00 H new ATOM 0 HA ASP A 45 8.119 -0.678 -8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.762 1.142 -7.583 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.959 -0.135 -7.495 1.00 0.00 H new ATOM 615 N LYS A 46 8.789 -3.229 -7.318 1.00 0.00 N ATOM 616 CA LYS A 46 9.191 -4.626 -7.428 1.00 0.00 C ATOM 617 C LYS A 46 8.069 -5.469 -8.028 1.00 0.00 C ATOM 618 O LYS A 46 6.890 -5.139 -7.893 1.00 0.00 O ATOM 619 CB LYS A 46 9.578 -5.177 -6.054 1.00 0.00 C ATOM 620 CG LYS A 46 10.712 -4.414 -5.391 1.00 0.00 C ATOM 621 CD LYS A 46 11.338 -5.216 -4.262 1.00 0.00 C ATOM 622 CE LYS A 46 12.537 -4.495 -3.665 1.00 0.00 C ATOM 623 NZ LYS A 46 12.127 -3.470 -2.667 1.00 0.00 N ATOM 0 H LYS A 46 7.955 -3.074 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 46 10.055 -4.678 -8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.705 -5.152 -5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.867 -6.223 -6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.473 -4.174 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.336 -3.468 -5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.595 -5.394 -3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.648 -6.192 -4.636 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.197 -5.220 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.108 -4.018 -4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.972 -3.001 -2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.517 -2.763 -3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.604 -3.928 -1.893 1.00 0.00 H new ATOM 637 N THR A 47 8.444 -6.560 -8.689 1.00 0.00 N ATOM 638 CA THR A 47 7.470 -7.450 -9.308 1.00 0.00 C ATOM 639 C THR A 47 6.197 -7.537 -8.474 1.00 0.00 C ATOM 640 O THR A 47 6.247 -7.528 -7.244 1.00 0.00 O ATOM 641 CB THR A 47 8.045 -8.867 -9.497 1.00 0.00 C ATOM 642 OG1 THR A 47 7.027 -9.746 -9.989 1.00 0.00 O ATOM 643 CG2 THR A 47 8.598 -9.405 -8.187 1.00 0.00 C ATOM 0 H THR A 47 9.415 -6.848 -8.809 1.00 0.00 H new ATOM 0 HA THR A 47 7.233 -7.029 -10.285 1.00 0.00 H new ATOM 0 HB THR A 47 8.858 -8.813 -10.221 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.400 -10.644 -10.108 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.998 -10.406 -8.345 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.392 -8.749 -7.830 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.801 -9.446 -7.445 1.00 0.00 H new ATOM 651 N CYS A 48 5.057 -7.623 -9.151 1.00 0.00 N ATOM 652 CA CYS A 48 3.769 -7.713 -8.472 1.00 0.00 C ATOM 653 C CYS A 48 2.875 -8.755 -9.136 1.00 0.00 C ATOM 654 O CYS A 48 2.922 -8.944 -10.351 1.00 0.00 O ATOM 655 CB CYS A 48 3.073 -6.351 -8.473 1.00 0.00 C ATOM 656 SG CYS A 48 1.385 -6.384 -7.825 1.00 0.00 S ATOM 0 H CYS A 48 4.998 -7.632 -10.169 1.00 0.00 H new ATOM 0 HA CYS A 48 3.950 -8.020 -7.442 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.664 -5.652 -7.881 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.052 -5.967 -9.493 1.00 0.00 H new ATOM 0 HG CYS A 48 0.881 -5.186 -7.865 1.00 0.00 H new ATOM 662 N GLY A 49 2.062 -9.430 -8.329 1.00 0.00 N ATOM 663 CA GLY A 49 1.171 -10.447 -8.856 1.00 0.00 C ATOM 664 C GLY A 49 1.267 -11.754 -8.095 1.00 0.00 C ATOM 665 O GLY A 49 2.339 -12.353 -8.010 1.00 0.00 O ATOM 0 H GLY A 49 2.005 -9.291 -7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.145 -10.082 -8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.407 -10.623 -9.906 1.00 0.00 H new ATOM 669 N SER A 50 0.144 -12.196 -7.537 1.00 0.00 N ATOM 670 CA SER A 50 0.108 -13.438 -6.774 1.00 0.00 C ATOM 671 C SER A 50 0.463 -14.630 -7.658 1.00 0.00 C ATOM 672 O SER A 50 0.593 -14.498 -8.875 1.00 0.00 O ATOM 673 CB SER A 50 -1.277 -13.641 -6.156 1.00 0.00 C ATOM 674 OG SER A 50 -2.140 -14.322 -7.051 1.00 0.00 O ATOM 0 H SER A 50 -0.752 -11.713 -7.599 1.00 0.00 H new ATOM 0 HA SER A 50 0.847 -13.367 -5.976 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.186 -14.209 -5.230 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.708 -12.674 -5.895 1.00 0.00 H new ATOM 0 HG SER A 50 -2.239 -13.797 -7.873 1.00 0.00 H new ATOM 680 N VAL A 51 0.617 -15.794 -7.036 1.00 0.00 N ATOM 681 CA VAL A 51 0.956 -17.011 -7.765 1.00 0.00 C ATOM 682 C VAL A 51 -0.157 -18.047 -7.652 1.00 0.00 C ATOM 683 O VAL A 51 -0.085 -19.119 -8.254 1.00 0.00 O ATOM 684 CB VAL A 51 2.270 -17.627 -7.248 1.00 0.00 C ATOM 685 CG1 VAL A 51 2.049 -18.311 -5.907 1.00 0.00 C ATOM 686 CG2 VAL A 51 2.836 -18.605 -8.267 1.00 0.00 C ATOM 0 H VAL A 51 0.513 -15.920 -6.029 1.00 0.00 H new ATOM 0 HA VAL A 51 1.082 -16.729 -8.810 1.00 0.00 H new ATOM 0 HB VAL A 51 2.995 -16.826 -7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.988 -18.740 -5.558 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.692 -17.581 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.308 -19.103 -6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.764 -19.031 -7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.116 -19.404 -8.444 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.034 -18.082 -9.202 1.00 0.00 H new ATOM 696 N LEU A 52 -1.186 -17.720 -6.878 1.00 0.00 N ATOM 697 CA LEU A 52 -2.316 -18.621 -6.687 1.00 0.00 C ATOM 698 C LEU A 52 -3.639 -17.875 -6.828 1.00 0.00 C ATOM 699 O LEU A 52 -4.387 -18.093 -7.781 1.00 0.00 O ATOM 700 CB LEU A 52 -2.237 -19.285 -5.311 1.00 0.00 C ATOM 701 CG LEU A 52 -0.854 -19.319 -4.661 1.00 0.00 C ATOM 702 CD1 LEU A 52 -0.709 -18.189 -3.653 1.00 0.00 C ATOM 703 CD2 LEU A 52 -0.611 -20.665 -3.994 1.00 0.00 C ATOM 0 H LEU A 52 -1.261 -16.837 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.270 -19.389 -7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.920 -18.765 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.599 -20.309 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.105 -19.181 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.282 -18.230 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.838 -17.232 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.467 -18.295 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.378 -20.671 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.367 -20.832 -3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.670 -21.457 -4.741 1.00 0.00 H new ATOM 715 N ARG A 53 -3.919 -16.992 -5.875 1.00 0.00 N ATOM 716 CA ARG A 53 -5.150 -16.212 -5.895 1.00 0.00 C ATOM 717 C ARG A 53 -4.847 -14.716 -5.898 1.00 0.00 C ATOM 718 O ARG A 53 -4.257 -14.189 -4.954 1.00 0.00 O ATOM 719 CB ARG A 53 -6.021 -16.563 -4.687 1.00 0.00 C ATOM 720 CG ARG A 53 -7.109 -15.541 -4.402 1.00 0.00 C ATOM 721 CD ARG A 53 -8.164 -16.099 -3.459 1.00 0.00 C ATOM 722 NE ARG A 53 -9.004 -17.102 -4.109 1.00 0.00 N ATOM 723 CZ ARG A 53 -10.272 -17.323 -3.781 1.00 0.00 C ATOM 724 NH1 ARG A 53 -10.844 -16.615 -2.817 1.00 0.00 N ATOM 725 NH2 ARG A 53 -10.971 -18.253 -4.419 1.00 0.00 N ATOM 0 H ARG A 53 -3.310 -16.799 -5.080 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.691 -16.458 -6.809 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.483 -17.536 -4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.385 -16.659 -3.807 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.664 -14.647 -3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.579 -15.238 -5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.676 -16.542 -2.591 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.789 -15.285 -3.092 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.594 -17.663 -4.856 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.310 -15.898 -2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.818 -16.787 -2.567 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.535 -18.799 -5.162 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.945 -18.422 -4.166 1.00 0.00 H new ATOM 739 N LEU A 54 -5.253 -14.038 -6.965 1.00 0.00 N ATOM 740 CA LEU A 54 -5.025 -12.603 -7.092 1.00 0.00 C ATOM 741 C LEU A 54 -5.364 -11.880 -5.793 1.00 0.00 C ATOM 742 O LEU A 54 -6.525 -11.823 -5.389 1.00 0.00 O ATOM 743 CB LEU A 54 -5.861 -12.033 -8.239 1.00 0.00 C ATOM 744 CG LEU A 54 -5.704 -12.726 -9.593 1.00 0.00 C ATOM 745 CD1 LEU A 54 -6.980 -12.594 -10.412 1.00 0.00 C ATOM 746 CD2 LEU A 54 -4.519 -12.150 -10.353 1.00 0.00 C ATOM 0 H LEU A 54 -5.742 -14.459 -7.755 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.968 -12.446 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.912 -12.075 -7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.605 -10.980 -8.360 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.517 -13.785 -9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.849 -13.093 -11.372 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.808 -13.055 -9.873 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.198 -11.539 -10.578 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.423 -12.655 -11.314 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.676 -11.084 -10.518 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.608 -12.297 -9.773 1.00 0.00 H new ATOM 758 N GLN A 55 -4.343 -11.328 -5.145 1.00 0.00 N ATOM 759 CA GLN A 55 -4.534 -10.608 -3.892 1.00 0.00 C ATOM 760 C GLN A 55 -4.096 -9.153 -4.028 1.00 0.00 C ATOM 761 O GLN A 55 -4.771 -8.244 -3.545 1.00 0.00 O ATOM 762 CB GLN A 55 -3.752 -11.285 -2.765 1.00 0.00 C ATOM 763 CG GLN A 55 -2.363 -11.744 -3.179 1.00 0.00 C ATOM 764 CD GLN A 55 -1.641 -12.490 -2.075 1.00 0.00 C ATOM 765 OE1 GLN A 55 -1.999 -12.384 -0.901 1.00 0.00 O ATOM 766 NE2 GLN A 55 -0.618 -13.251 -2.444 1.00 0.00 N ATOM 0 H GLN A 55 -3.376 -11.366 -5.467 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.597 -10.628 -3.650 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.662 -10.592 -1.929 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.318 -12.145 -2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.443 -12.388 -4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.771 -10.877 -3.474 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.355 -13.310 -3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.095 -13.777 -1.744 1.00 0.00 H new ATOM 775 N ASP A 56 -2.963 -8.941 -4.688 1.00 0.00 N ATOM 776 CA ASP A 56 -2.435 -7.597 -4.888 1.00 0.00 C ATOM 777 C ASP A 56 -3.561 -6.607 -5.172 1.00 0.00 C ATOM 778 O ASP A 56 -4.643 -6.994 -5.614 1.00 0.00 O ATOM 779 CB ASP A 56 -1.428 -7.587 -6.040 1.00 0.00 C ATOM 780 CG ASP A 56 -0.144 -8.314 -5.692 1.00 0.00 C ATOM 781 OD1 ASP A 56 0.670 -7.750 -4.932 1.00 0.00 O ATOM 782 OD2 ASP A 56 0.046 -9.448 -6.180 1.00 0.00 O ATOM 0 H ASP A 56 -2.393 -9.683 -5.094 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.930 -7.292 -3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.879 -8.051 -6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.197 -6.556 -6.308 1.00 0.00 H new ATOM 787 N TRP A 57 -3.299 -5.331 -4.914 1.00 0.00 N ATOM 788 CA TRP A 57 -4.291 -4.286 -5.141 1.00 0.00 C ATOM 789 C TRP A 57 -3.801 -3.288 -6.184 1.00 0.00 C ATOM 790 O TRP A 57 -2.598 -3.085 -6.345 1.00 0.00 O ATOM 791 CB TRP A 57 -4.606 -3.561 -3.831 1.00 0.00 C ATOM 792 CG TRP A 57 -5.017 -4.485 -2.725 1.00 0.00 C ATOM 793 CD1 TRP A 57 -4.205 -5.318 -2.009 1.00 0.00 C ATOM 794 CD2 TRP A 57 -6.340 -4.671 -2.210 1.00 0.00 C ATOM 795 NE1 TRP A 57 -4.944 -6.010 -1.079 1.00 0.00 N ATOM 796 CE2 TRP A 57 -6.256 -5.630 -1.182 1.00 0.00 C ATOM 797 CE3 TRP A 57 -7.587 -4.119 -2.516 1.00 0.00 C ATOM 798 CZ2 TRP A 57 -7.372 -6.048 -0.462 1.00 0.00 C ATOM 799 CZ3 TRP A 57 -8.693 -4.535 -1.800 1.00 0.00 C ATOM 800 CH2 TRP A 57 -8.580 -5.491 -0.782 1.00 0.00 C ATOM 0 H TRP A 57 -2.408 -4.995 -4.548 1.00 0.00 H new ATOM 0 HA TRP A 57 -5.200 -4.757 -5.515 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -3.728 -2.997 -3.516 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.403 -2.839 -4.006 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.139 -5.418 -2.152 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.575 -6.695 -0.419 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -7.684 -3.381 -3.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.287 -6.786 0.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -9.662 -4.116 -2.029 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -9.463 -5.794 -0.240 1.00 0.00 H new ATOM 811 N ARG A 58 -4.741 -2.667 -6.889 1.00 0.00 N ATOM 812 CA ARG A 58 -4.404 -1.691 -7.918 1.00 0.00 C ATOM 813 C ARG A 58 -5.503 -0.641 -8.052 1.00 0.00 C ATOM 814 O ARG A 58 -6.686 -0.939 -7.882 1.00 0.00 O ATOM 815 CB ARG A 58 -4.185 -2.388 -9.262 1.00 0.00 C ATOM 816 CG ARG A 58 -5.460 -2.942 -9.876 1.00 0.00 C ATOM 817 CD ARG A 58 -5.216 -3.480 -11.277 1.00 0.00 C ATOM 818 NE ARG A 58 -6.442 -3.523 -12.068 1.00 0.00 N ATOM 819 CZ ARG A 58 -6.475 -3.338 -13.383 1.00 0.00 C ATOM 820 NH1 ARG A 58 -5.354 -3.100 -14.051 1.00 0.00 N ATOM 821 NH2 ARG A 58 -7.630 -3.392 -14.034 1.00 0.00 N ATOM 0 H ARG A 58 -5.742 -2.822 -6.766 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.482 -1.192 -7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.734 -1.682 -9.959 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.473 -3.202 -9.128 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.854 -3.737 -9.243 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.217 -2.159 -9.913 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.480 -2.854 -11.782 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.791 -4.482 -11.212 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.322 -3.705 -11.585 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.464 -3.059 -13.555 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.382 -2.958 -15.061 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.494 -3.576 -13.525 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.653 -3.250 -15.044 1.00 0.00 H new ATOM 835 N CYS A 59 -5.104 0.590 -8.356 1.00 0.00 N ATOM 836 CA CYS A 59 -6.054 1.685 -8.511 1.00 0.00 C ATOM 837 C CYS A 59 -6.863 1.525 -9.795 1.00 0.00 C ATOM 838 O CYS A 59 -6.336 1.109 -10.827 1.00 0.00 O ATOM 839 CB CYS A 59 -5.319 3.027 -8.523 1.00 0.00 C ATOM 840 SG CYS A 59 -6.267 4.400 -7.792 1.00 0.00 S ATOM 0 H CYS A 59 -4.129 0.854 -8.500 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.740 1.661 -7.664 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.379 2.919 -7.981 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.066 3.282 -9.552 1.00 0.00 H new ATOM 845 N LEU A 60 -8.147 1.859 -9.723 1.00 0.00 N ATOM 846 CA LEU A 60 -9.031 1.753 -10.879 1.00 0.00 C ATOM 847 C LEU A 60 -8.994 3.031 -11.712 1.00 0.00 C ATOM 848 O LEU A 60 -9.580 3.096 -12.792 1.00 0.00 O ATOM 849 CB LEU A 60 -10.464 1.467 -10.426 1.00 0.00 C ATOM 850 CG LEU A 60 -11.385 0.837 -11.471 1.00 0.00 C ATOM 851 CD1 LEU A 60 -10.754 -0.421 -12.049 1.00 0.00 C ATOM 852 CD2 LEU A 60 -12.744 0.523 -10.864 1.00 0.00 C ATOM 0 H LEU A 60 -8.599 2.205 -8.877 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.681 0.927 -11.498 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.425 0.806 -9.560 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.912 2.403 -10.093 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.528 1.553 -12.281 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.424 -0.856 -12.791 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.805 -0.168 -12.521 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.581 -1.142 -11.250 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.386 0.075 -11.622 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.620 -0.174 -10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.201 1.443 -10.499 1.00 0.00 H new ATOM 864 N TRP A 61 -8.300 4.042 -11.202 1.00 0.00 N ATOM 865 CA TRP A 61 -8.185 5.318 -11.900 1.00 0.00 C ATOM 866 C TRP A 61 -6.740 5.590 -12.302 1.00 0.00 C ATOM 867 O TRP A 61 -6.418 5.667 -13.488 1.00 0.00 O ATOM 868 CB TRP A 61 -8.705 6.454 -11.018 1.00 0.00 C ATOM 869 CG TRP A 61 -9.964 6.106 -10.283 1.00 0.00 C ATOM 870 CD1 TRP A 61 -10.901 5.185 -10.652 1.00 0.00 C ATOM 871 CD2 TRP A 61 -10.423 6.677 -9.053 1.00 0.00 C ATOM 872 NE1 TRP A 61 -11.915 5.148 -9.726 1.00 0.00 N ATOM 873 CE2 TRP A 61 -11.645 6.054 -8.734 1.00 0.00 C ATOM 874 CE3 TRP A 61 -9.920 7.653 -8.188 1.00 0.00 C ATOM 875 CZ2 TRP A 61 -12.369 6.376 -7.590 1.00 0.00 C ATOM 876 CZ3 TRP A 61 -10.640 7.972 -7.052 1.00 0.00 C ATOM 877 CH2 TRP A 61 -11.853 7.335 -6.761 1.00 0.00 C ATOM 0 H TRP A 61 -7.809 4.004 -10.309 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.790 5.265 -12.805 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.935 6.726 -10.296 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -8.885 7.332 -11.638 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -10.852 4.575 -11.542 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -12.736 4.544 -9.770 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -8.985 8.149 -8.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -13.305 5.886 -7.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -10.261 8.725 -6.377 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -12.392 7.606 -5.865 1.00 0.00 H new ATOM 888 N CYS A 62 -5.871 5.735 -11.306 1.00 0.00 N ATOM 889 CA CYS A 62 -4.459 5.999 -11.555 1.00 0.00 C ATOM 890 C CYS A 62 -3.717 4.711 -11.900 1.00 0.00 C ATOM 891 O CYS A 62 -2.487 4.669 -11.896 1.00 0.00 O ATOM 892 CB CYS A 62 -3.818 6.658 -10.332 1.00 0.00 C ATOM 893 SG CYS A 62 -3.454 5.503 -8.971 1.00 0.00 S ATOM 0 H CYS A 62 -6.121 5.674 -10.319 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.387 6.678 -12.405 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -2.892 7.145 -10.638 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.483 7.439 -9.963 1.00 0.00 H new ATOM 898 N LYS A 63 -4.474 3.660 -12.197 1.00 0.00 N ATOM 899 CA LYS A 63 -3.891 2.370 -12.546 1.00 0.00 C ATOM 900 C LYS A 63 -2.561 2.163 -11.829 1.00 0.00 C ATOM 901 O LYS A 63 -1.556 1.822 -12.451 1.00 0.00 O ATOM 902 CB LYS A 63 -3.688 2.271 -14.059 1.00 0.00 C ATOM 903 CG LYS A 63 -2.856 3.404 -14.636 1.00 0.00 C ATOM 904 CD LYS A 63 -3.193 3.655 -16.096 1.00 0.00 C ATOM 905 CE LYS A 63 -2.374 2.765 -17.019 1.00 0.00 C ATOM 906 NZ LYS A 63 -1.090 3.408 -17.413 1.00 0.00 N ATOM 0 H LYS A 63 -5.494 3.677 -12.203 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.581 1.589 -12.227 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.205 1.322 -14.291 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.662 2.261 -14.548 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.029 4.313 -14.060 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.797 3.163 -14.542 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.255 3.473 -16.262 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.007 4.701 -16.339 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.168 1.817 -16.521 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.955 2.536 -17.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.561 2.770 -18.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.287 4.300 -17.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.524 3.603 -16.562 1.00 0.00 H new ATOM 920 N ALA A 64 -2.563 2.370 -10.516 1.00 0.00 N ATOM 921 CA ALA A 64 -1.357 2.202 -9.714 1.00 0.00 C ATOM 922 C ALA A 64 -1.423 0.925 -8.885 1.00 0.00 C ATOM 923 O ALA A 64 -2.299 0.770 -8.034 1.00 0.00 O ATOM 924 CB ALA A 64 -1.151 3.410 -8.812 1.00 0.00 C ATOM 0 H ALA A 64 -3.386 2.654 -9.985 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.508 2.120 -10.392 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.247 3.271 -8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.050 4.307 -9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.008 3.518 -8.147 1.00 0.00 H new ATOM 930 N MET A 65 -0.491 0.011 -9.138 1.00 0.00 N ATOM 931 CA MET A 65 -0.444 -1.253 -8.413 1.00 0.00 C ATOM 932 C MET A 65 0.461 -1.145 -7.191 1.00 0.00 C ATOM 933 O MET A 65 1.496 -0.479 -7.229 1.00 0.00 O ATOM 934 CB MET A 65 0.049 -2.373 -9.331 1.00 0.00 C ATOM 935 CG MET A 65 -0.779 -2.533 -10.595 1.00 0.00 C ATOM 936 SD MET A 65 0.060 -3.511 -11.857 1.00 0.00 S ATOM 937 CE MET A 65 0.403 -2.255 -13.087 1.00 0.00 C ATOM 0 H MET A 65 0.241 0.123 -9.839 1.00 0.00 H new ATOM 0 HA MET A 65 -1.453 -1.488 -8.075 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.085 -2.175 -9.608 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.041 -3.313 -8.780 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.728 -3.007 -10.345 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.011 -1.548 -10.999 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.921 -2.706 -13.933 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.534 -1.815 -13.428 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.030 -1.479 -12.649 1.00 0.00 H new ATOM 947 N VAL A 66 0.065 -1.805 -6.106 1.00 0.00 N ATOM 948 CA VAL A 66 0.842 -1.784 -4.872 1.00 0.00 C ATOM 949 C VAL A 66 0.604 -3.046 -4.052 1.00 0.00 C ATOM 950 O VAL A 66 -0.495 -3.603 -4.054 1.00 0.00 O ATOM 951 CB VAL A 66 0.496 -0.553 -4.013 1.00 0.00 C ATOM 952 CG1 VAL A 66 0.919 0.727 -4.718 1.00 0.00 C ATOM 953 CG2 VAL A 66 -0.991 -0.528 -3.692 1.00 0.00 C ATOM 0 H VAL A 66 -0.789 -2.360 -6.057 1.00 0.00 H new ATOM 0 HA VAL A 66 1.892 -1.734 -5.159 1.00 0.00 H new ATOM 0 HB VAL A 66 1.046 -0.621 -3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.666 1.586 -4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.995 0.708 -4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.399 0.805 -5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.217 0.348 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.563 -0.484 -4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.260 -1.430 -3.142 1.00 0.00 H new ATOM 963 N HIS A 67 1.640 -3.493 -3.349 1.00 0.00 N ATOM 964 CA HIS A 67 1.544 -4.690 -2.522 1.00 0.00 C ATOM 965 C HIS A 67 0.695 -4.426 -1.281 1.00 0.00 C ATOM 966 O HIS A 67 0.698 -3.321 -0.738 1.00 0.00 O ATOM 967 CB HIS A 67 2.937 -5.164 -2.110 1.00 0.00 C ATOM 968 CG HIS A 67 3.732 -5.743 -3.240 1.00 0.00 C ATOM 969 ND1 HIS A 67 4.928 -5.208 -3.669 1.00 0.00 N ATOM 970 CD2 HIS A 67 3.497 -6.817 -4.029 1.00 0.00 C ATOM 971 CE1 HIS A 67 5.393 -5.927 -4.675 1.00 0.00 C ATOM 972 NE2 HIS A 67 4.543 -6.910 -4.913 1.00 0.00 N ATOM 0 H HIS A 67 2.556 -3.044 -3.336 1.00 0.00 H new ATOM 0 HA HIS A 67 1.063 -5.471 -3.111 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.486 -4.324 -1.683 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.839 -5.913 -1.324 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.645 -7.478 -3.973 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.312 -5.743 -5.212 1.00 0.00 H new ATOM 0 HE2 HIS A 67 4.647 -7.622 -5.636 1.00 0.00 H new ATOM 980 N THR A 68 -0.031 -5.448 -0.838 1.00 0.00 N ATOM 981 CA THR A 68 -0.885 -5.326 0.336 1.00 0.00 C ATOM 982 C THR A 68 -0.225 -4.469 1.410 1.00 0.00 C ATOM 983 O THR A 68 -0.866 -3.606 2.009 1.00 0.00 O ATOM 984 CB THR A 68 -1.221 -6.707 0.932 1.00 0.00 C ATOM 985 OG1 THR A 68 -0.018 -7.374 1.330 1.00 0.00 O ATOM 986 CG2 THR A 68 -1.972 -7.563 -0.076 1.00 0.00 C ATOM 0 H THR A 68 -0.044 -6.369 -1.275 1.00 0.00 H new ATOM 0 HA THR A 68 -1.807 -4.846 0.008 1.00 0.00 H new ATOM 0 HB THR A 68 -1.858 -6.557 1.803 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.240 -8.250 1.709 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.198 -8.533 0.367 1.00 0.00 H new ATOM 0 HG22 THR A 68 -2.901 -7.066 -0.355 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.356 -7.705 -0.964 1.00 0.00 H new ATOM 994 N SER A 69 1.060 -4.712 1.647 1.00 0.00 N ATOM 995 CA SER A 69 1.807 -3.963 2.651 1.00 0.00 C ATOM 996 C SER A 69 2.154 -2.568 2.142 1.00 0.00 C ATOM 997 O SER A 69 1.938 -1.571 2.832 1.00 0.00 O ATOM 998 CB SER A 69 3.086 -4.713 3.030 1.00 0.00 C ATOM 999 OG SER A 69 3.817 -4.008 4.019 1.00 0.00 O ATOM 0 H SER A 69 1.606 -5.421 1.158 1.00 0.00 H new ATOM 0 HA SER A 69 1.178 -3.862 3.535 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.833 -5.707 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.706 -4.851 2.144 1.00 0.00 H new ATOM 0 HG SER A 69 4.629 -4.509 4.245 1.00 0.00 H new ATOM 1005 N CYS A 70 2.694 -2.505 0.929 1.00 0.00 N ATOM 1006 CA CYS A 70 3.072 -1.233 0.326 1.00 0.00 C ATOM 1007 C CYS A 70 1.918 -0.237 0.387 1.00 0.00 C ATOM 1008 O CYS A 70 2.091 0.906 0.811 1.00 0.00 O ATOM 1009 CB CYS A 70 3.502 -1.443 -1.128 1.00 0.00 C ATOM 1010 SG CYS A 70 5.231 -1.983 -1.321 1.00 0.00 S ATOM 0 H CYS A 70 2.879 -3.320 0.345 1.00 0.00 H new ATOM 0 HA CYS A 70 3.910 -0.826 0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 70 2.848 -2.185 -1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 70 3.360 -0.511 -1.676 1.00 0.00 H new ATOM 1015 N LYS A 71 0.739 -0.678 -0.038 1.00 0.00 N ATOM 1016 CA LYS A 71 -0.445 0.172 -0.030 1.00 0.00 C ATOM 1017 C LYS A 71 -0.431 1.114 1.169 1.00 0.00 C ATOM 1018 O LYS A 71 -0.544 2.330 1.016 1.00 0.00 O ATOM 1019 CB LYS A 71 -1.713 -0.685 -0.004 1.00 0.00 C ATOM 1020 CG LYS A 71 -2.925 0.004 -0.608 1.00 0.00 C ATOM 1021 CD LYS A 71 -3.939 -1.003 -1.124 1.00 0.00 C ATOM 1022 CE LYS A 71 -4.939 -1.391 -0.045 1.00 0.00 C ATOM 1023 NZ LYS A 71 -6.197 -1.937 -0.625 1.00 0.00 N ATOM 0 H LYS A 71 0.578 -1.621 -0.393 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.437 0.771 -0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.526 -1.613 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.937 -0.957 1.028 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.393 0.642 0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.607 0.652 -1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.469 -0.582 -1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.421 -1.894 -1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.491 -2.134 0.615 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.170 -0.519 0.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.733 -2.434 0.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.771 -1.157 -1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.966 -2.602 -1.391 1.00 0.00 H new ATOM 1037 N GLU A 72 -0.289 0.544 2.362 1.00 0.00 N ATOM 1038 CA GLU A 72 -0.259 1.335 3.587 1.00 0.00 C ATOM 1039 C GLU A 72 0.796 2.434 3.499 1.00 0.00 C ATOM 1040 O GLU A 72 0.566 3.565 3.928 1.00 0.00 O ATOM 1041 CB GLU A 72 0.023 0.437 4.793 1.00 0.00 C ATOM 1042 CG GLU A 72 -0.981 -0.691 4.961 1.00 0.00 C ATOM 1043 CD GLU A 72 -2.407 -0.189 5.084 1.00 0.00 C ATOM 1044 OE1 GLU A 72 -2.616 0.845 5.752 1.00 0.00 O ATOM 1045 OE2 GLU A 72 -3.314 -0.831 4.513 1.00 0.00 O ATOM 0 H GLU A 72 -0.193 -0.461 2.506 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.236 1.802 3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.021 0.011 4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.026 1.047 5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.910 -1.366 4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.726 -1.270 5.848 1.00 0.00 H new ATOM 1052 N SER A 73 1.953 2.093 2.941 1.00 0.00 N ATOM 1053 CA SER A 73 3.045 3.048 2.801 1.00 0.00 C ATOM 1054 C SER A 73 2.639 4.209 1.898 1.00 0.00 C ATOM 1055 O SER A 73 2.845 5.376 2.237 1.00 0.00 O ATOM 1056 CB SER A 73 4.286 2.356 2.234 1.00 0.00 C ATOM 1057 OG SER A 73 4.820 1.426 3.160 1.00 0.00 O ATOM 0 H SER A 73 2.158 1.162 2.578 1.00 0.00 H new ATOM 0 HA SER A 73 3.278 3.444 3.790 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.029 1.844 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.041 3.102 1.987 1.00 0.00 H new ATOM 0 HG SER A 73 5.611 0.996 2.773 1.00 0.00 H new ATOM 1063 N LEU A 74 2.061 3.881 0.748 1.00 0.00 N ATOM 1064 CA LEU A 74 1.625 4.896 -0.205 1.00 0.00 C ATOM 1065 C LEU A 74 0.926 6.049 0.508 1.00 0.00 C ATOM 1066 O LEU A 74 0.052 5.834 1.349 1.00 0.00 O ATOM 1067 CB LEU A 74 0.686 4.279 -1.243 1.00 0.00 C ATOM 1068 CG LEU A 74 0.435 5.111 -2.501 1.00 0.00 C ATOM 1069 CD1 LEU A 74 1.693 5.185 -3.352 1.00 0.00 C ATOM 1070 CD2 LEU A 74 -0.721 4.531 -3.303 1.00 0.00 C ATOM 0 H LEU A 74 1.883 2.921 0.453 1.00 0.00 H new ATOM 0 HA LEU A 74 2.508 5.288 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.095 3.315 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.273 4.083 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 74 0.167 6.123 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.495 5.781 -4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.495 5.648 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.992 4.179 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.885 5.136 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.483 3.509 -3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.624 4.532 -2.693 1.00 0.00 H new ATOM 1082 N LEU A 75 1.314 7.272 0.165 1.00 0.00 N ATOM 1083 CA LEU A 75 0.723 8.460 0.771 1.00 0.00 C ATOM 1084 C LEU A 75 0.174 9.400 -0.298 1.00 0.00 C ATOM 1085 O LEU A 75 -0.823 10.090 -0.081 1.00 0.00 O ATOM 1086 CB LEU A 75 1.760 9.191 1.626 1.00 0.00 C ATOM 1087 CG LEU A 75 3.103 9.477 0.953 1.00 0.00 C ATOM 1088 CD1 LEU A 75 3.714 10.756 1.503 1.00 0.00 C ATOM 1089 CD2 LEU A 75 4.055 8.304 1.142 1.00 0.00 C ATOM 0 H LEU A 75 2.035 7.467 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.103 8.141 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.330 10.138 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.944 8.600 2.523 1.00 0.00 H new ATOM 0 HG LEU A 75 2.931 9.611 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.669 10.943 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.040 11.591 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.872 10.651 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.006 8.525 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.221 8.138 2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.621 7.408 0.698 1.00 0.00 H new ATOM 1101 N THR A 76 0.831 9.422 -1.453 1.00 0.00 N ATOM 1102 CA THR A 76 0.408 10.276 -2.556 1.00 0.00 C ATOM 1103 C THR A 76 -1.097 10.187 -2.776 1.00 0.00 C ATOM 1104 O THR A 76 -1.704 9.135 -2.572 1.00 0.00 O ATOM 1105 CB THR A 76 1.130 9.901 -3.865 1.00 0.00 C ATOM 1106 OG1 THR A 76 0.876 8.530 -4.189 1.00 0.00 O ATOM 1107 CG2 THR A 76 2.628 10.130 -3.741 1.00 0.00 C ATOM 0 H THR A 76 1.658 8.858 -1.649 1.00 0.00 H new ATOM 0 HA THR A 76 0.672 11.298 -2.283 1.00 0.00 H new ATOM 0 HB THR A 76 0.746 10.538 -4.662 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.337 8.300 -5.023 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.116 9.858 -4.677 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.819 11.181 -3.524 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.024 9.515 -2.933 1.00 0.00 H new ATOM 1115 N LYS A 77 -1.697 11.297 -3.193 1.00 0.00 N ATOM 1116 CA LYS A 77 -3.132 11.344 -3.443 1.00 0.00 C ATOM 1117 C LYS A 77 -3.451 10.910 -4.870 1.00 0.00 C ATOM 1118 O LYS A 77 -2.585 10.932 -5.744 1.00 0.00 O ATOM 1119 CB LYS A 77 -3.667 12.757 -3.197 1.00 0.00 C ATOM 1120 CG LYS A 77 -3.550 13.670 -4.405 1.00 0.00 C ATOM 1121 CD LYS A 77 -2.120 14.140 -4.613 1.00 0.00 C ATOM 1122 CE LYS A 77 -2.047 15.274 -5.623 1.00 0.00 C ATOM 1123 NZ LYS A 77 -2.686 16.517 -5.109 1.00 0.00 N ATOM 0 H LYS A 77 -1.211 12.177 -3.365 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.618 10.652 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.714 12.694 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.125 13.201 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.894 13.143 -5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.202 14.533 -4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.703 14.471 -3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.508 13.306 -4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.004 15.476 -5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.538 14.969 -6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.348 17.333 -5.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.719 16.441 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.438 16.646 -4.107 1.00 0.00 H new ATOM 1137 N CYS A 78 -4.700 10.517 -5.099 1.00 0.00 N ATOM 1138 CA CYS A 78 -5.134 10.078 -6.419 1.00 0.00 C ATOM 1139 C CYS A 78 -5.661 11.254 -7.237 1.00 0.00 C ATOM 1140 O CYS A 78 -5.828 12.358 -6.719 1.00 0.00 O ATOM 1141 CB CYS A 78 -6.217 9.005 -6.293 1.00 0.00 C ATOM 1142 SG CYS A 78 -6.389 7.945 -7.765 1.00 0.00 S ATOM 0 H CYS A 78 -5.429 10.494 -4.386 1.00 0.00 H new ATOM 0 HA CYS A 78 -4.272 9.655 -6.935 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -5.993 8.377 -5.431 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -7.173 9.490 -6.094 1.00 0.00 H new ATOM 1147 N SER A 79 -5.921 11.008 -8.517 1.00 0.00 N ATOM 1148 CA SER A 79 -6.426 12.047 -9.408 1.00 0.00 C ATOM 1149 C SER A 79 -7.906 11.832 -9.708 1.00 0.00 C ATOM 1150 O SER A 79 -8.704 12.767 -9.653 1.00 0.00 O ATOM 1151 CB SER A 79 -5.626 12.062 -10.712 1.00 0.00 C ATOM 1152 OG SER A 79 -5.789 10.849 -11.425 1.00 0.00 O ATOM 0 H SER A 79 -5.790 10.099 -8.961 1.00 0.00 H new ATOM 0 HA SER A 79 -6.311 13.009 -8.908 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.951 12.898 -11.332 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.570 12.219 -10.492 1.00 0.00 H new ATOM 0 HG SER A 79 -5.269 10.885 -12.255 1.00 0.00 H new ATOM 1158 N GLY A 80 -8.265 10.592 -10.027 1.00 0.00 N ATOM 1159 CA GLY A 80 -9.648 10.276 -10.332 1.00 0.00 C ATOM 1160 C GLY A 80 -9.812 9.652 -11.704 1.00 0.00 C ATOM 1161 O GLY A 80 -8.912 9.703 -12.543 1.00 0.00 O ATOM 0 H GLY A 80 -7.623 9.801 -10.080 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.036 9.593 -9.577 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.246 11.186 -10.276 1.00 0.00 H new ATOM 1165 N PRO A 81 -10.983 9.046 -11.947 1.00 0.00 N ATOM 1166 CA PRO A 81 -11.288 8.396 -13.225 1.00 0.00 C ATOM 1167 C PRO A 81 -11.462 9.402 -14.359 1.00 0.00 C ATOM 1168 O PRO A 81 -11.020 9.166 -15.483 1.00 0.00 O ATOM 1169 CB PRO A 81 -12.606 7.670 -12.948 1.00 0.00 C ATOM 1170 CG PRO A 81 -13.235 8.436 -11.836 1.00 0.00 C ATOM 1171 CD PRO A 81 -12.100 8.947 -10.992 1.00 0.00 C ATOM 0 HA PRO A 81 -10.483 7.737 -13.550 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.245 7.658 -13.831 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.434 6.631 -12.665 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.837 9.259 -12.221 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.901 7.801 -11.252 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.334 9.914 -10.546 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -11.870 8.266 -10.173 1.00 0.00 H new ATOM 1179 N SER A 82 -12.107 10.523 -14.055 1.00 0.00 N ATOM 1180 CA SER A 82 -12.342 11.563 -15.050 1.00 0.00 C ATOM 1181 C SER A 82 -12.914 12.819 -14.399 1.00 0.00 C ATOM 1182 O SER A 82 -13.296 12.805 -13.229 1.00 0.00 O ATOM 1183 CB SER A 82 -13.296 11.056 -16.133 1.00 0.00 C ATOM 1184 OG SER A 82 -14.563 10.733 -15.586 1.00 0.00 O ATOM 0 H SER A 82 -12.476 10.735 -13.128 1.00 0.00 H new ATOM 0 HA SER A 82 -11.386 11.816 -15.508 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.413 11.817 -16.905 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.869 10.176 -16.615 1.00 0.00 H new ATOM 0 HG SER A 82 -15.155 10.413 -16.298 1.00 0.00 H new ATOM 1190 N SER A 83 -12.971 13.902 -15.167 1.00 0.00 N ATOM 1191 CA SER A 83 -13.492 15.168 -14.665 1.00 0.00 C ATOM 1192 C SER A 83 -14.983 15.057 -14.357 1.00 0.00 C ATOM 1193 O SER A 83 -15.408 15.241 -13.217 1.00 0.00 O ATOM 1194 CB SER A 83 -13.252 16.283 -15.684 1.00 0.00 C ATOM 1195 OG SER A 83 -11.868 16.548 -15.834 1.00 0.00 O ATOM 0 H SER A 83 -12.663 13.928 -16.139 1.00 0.00 H new ATOM 0 HA SER A 83 -12.964 15.410 -13.742 1.00 0.00 H new ATOM 0 HB2 SER A 83 -13.677 15.998 -16.646 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.766 17.189 -15.364 1.00 0.00 H new ATOM 0 HG SER A 83 -11.741 17.263 -16.492 1.00 0.00 H new ATOM 1201 N GLY A 84 -15.772 14.756 -15.384 1.00 0.00 N ATOM 1202 CA GLY A 84 -17.206 14.626 -15.204 1.00 0.00 C ATOM 1203 C GLY A 84 -17.903 15.969 -15.113 1.00 0.00 C ATOM 1204 O GLY A 84 -17.406 16.941 -15.679 1.00 0.00 O ATOM 0 H GLY A 84 -15.444 14.600 -16.337 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -17.624 14.059 -16.036 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -17.405 14.055 -14.297 1.00 0.00 H new TER 1208 GLY A 84 HETATM 1209 ZN ZN A 201 -4.905 6.214 -7.305 1.00 0.00 ZN HETATM 1210 ZN ZN A 401 5.344 -2.927 -3.447 1.00 0.00 ZN