USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 888 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 ASN : amide:sc= 0 X(o=-0.058,f=-0.068) USER MOD Set 1.2: A 56 MET CE :methyl -160:sc= -0.058 (180deg=-0.426) USER MOD Set 2.1: A 26 TYR OH : rot 100:sc= -0.435 USER MOD Set 2.2: A 53 LYS NZ :NH3+ -164:sc= 0.0919 (180deg=0) USER MOD Set 3.1: A 21 TYR OH : rot 180:sc= 0.118 USER MOD Set 3.2: A 94 LYS NZ :NH3+ 147:sc= 0.119 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ -176:sc= 0 (180deg=-0.00888) USER MOD Single : A 2 GLN : amide:sc= 0.107 X(o=0.11,f=-0.0076) USER MOD Single : A 4 LYS NZ :NH3+ -121:sc= 0.303 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 6 CYS SG : rot -159:sc= -0.0728 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.048) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.00094) USER MOD Single : A 47 MET CE :methyl -178:sc= -0.133 (180deg=-0.159) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot -28:sc= -0.771 USER MOD Single : A 65 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.03) USER MOD Single : A 74 MET CE :methyl -112:sc= -1.99 (180deg=-8.48!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.1) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.185 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.018 K(o=-0.018,f=-0.77) USER MOD Single : A 86 HIS : no HD1:sc= -0.172 K(o=-0.17,f=-1.6!) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.0064) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0433) USER MOD Single : A 106 MET CE :methyl -179:sc= -0.041 (180deg=-0.0435) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.082 13.100 0.145 1.00 0.00 N ATOM 2 CA GLU A 1 -14.059 12.601 -0.820 1.00 0.00 C ATOM 3 C GLU A 1 -13.105 11.610 -0.152 1.00 0.00 C ATOM 4 O GLU A 1 -11.923 11.901 0.048 1.00 0.00 O ATOM 5 CB GLU A 1 -13.287 13.799 -1.380 1.00 0.00 C ATOM 6 CG GLU A 1 -14.049 14.566 -2.452 1.00 0.00 C ATOM 7 CD GLU A 1 -13.354 15.848 -2.877 1.00 0.00 C ATOM 8 OE1 GLU A 1 -12.779 16.534 -2.005 1.00 0.00 O ATOM 9 OE2 GLU A 1 -13.387 16.165 -4.085 1.00 0.00 O ATOM 0 H1 GLU A 1 -15.756 13.717 -0.352 1.00 0.00 H new ATOM 0 H2 GLU A 1 -15.592 12.293 0.559 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.613 13.638 0.901 1.00 0.00 H new ATOM 0 HA GLU A 1 -14.559 12.071 -1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -13.043 14.478 -0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -12.342 13.450 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -14.181 13.925 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -15.045 14.806 -2.080 1.00 0.00 H new ATOM 18 N GLN A 2 -13.632 10.437 0.188 1.00 0.00 N ATOM 19 CA GLN A 2 -12.841 9.390 0.834 1.00 0.00 C ATOM 20 C GLN A 2 -11.917 8.699 -0.169 1.00 0.00 C ATOM 21 O GLN A 2 -10.741 8.471 0.118 1.00 0.00 O ATOM 22 CB GLN A 2 -13.762 8.358 1.495 1.00 0.00 C ATOM 23 CG GLN A 2 -14.205 8.740 2.900 1.00 0.00 C ATOM 24 CD GLN A 2 -13.136 8.474 3.943 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.795 7.324 4.217 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.600 9.538 4.532 1.00 0.00 N ATOM 0 H GLN A 2 -14.607 10.186 0.027 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.224 9.860 1.600 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.645 8.220 0.871 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.247 7.398 1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.470 9.797 2.918 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.105 8.182 3.157 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.912 10.474 4.275 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.877 9.418 5.241 1.00 0.00 H new ATOM 35 N LEU A 3 -12.455 8.371 -1.345 1.00 0.00 N ATOM 36 CA LEU A 3 -11.675 7.706 -2.390 1.00 0.00 C ATOM 37 C LEU A 3 -10.587 8.631 -2.938 1.00 0.00 C ATOM 38 O LEU A 3 -9.465 8.193 -3.196 1.00 0.00 O ATOM 39 CB LEU A 3 -12.589 7.240 -3.530 1.00 0.00 C ATOM 40 CG LEU A 3 -12.351 5.805 -4.013 1.00 0.00 C ATOM 41 CD1 LEU A 3 -13.419 5.394 -5.018 1.00 0.00 C ATOM 42 CD2 LEU A 3 -10.962 5.667 -4.623 1.00 0.00 C ATOM 0 H LEU A 3 -13.426 8.555 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.194 6.836 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.625 7.329 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.462 7.916 -4.375 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.415 5.140 -3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.233 4.372 -5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.401 5.450 -4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.388 6.065 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.813 4.641 -4.960 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.868 6.345 -5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.210 5.916 -3.875 1.00 0.00 H new ATOM 54 N LYS A 4 -10.923 9.912 -3.111 1.00 0.00 N ATOM 55 CA LYS A 4 -9.969 10.895 -3.627 1.00 0.00 C ATOM 56 C LYS A 4 -8.750 11.013 -2.710 1.00 0.00 C ATOM 57 O LYS A 4 -7.631 11.217 -3.182 1.00 0.00 O ATOM 58 CB LYS A 4 -10.638 12.264 -3.782 1.00 0.00 C ATOM 59 CG LYS A 4 -10.995 12.610 -5.220 1.00 0.00 C ATOM 60 CD LYS A 4 -12.283 13.413 -5.294 1.00 0.00 C ATOM 61 CE LYS A 4 -12.749 13.590 -6.730 1.00 0.00 C ATOM 62 NZ LYS A 4 -13.452 14.889 -6.929 1.00 0.00 N ATOM 0 H LYS A 4 -11.846 10.291 -2.902 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.633 10.551 -4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.544 12.287 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.972 13.031 -3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.183 13.180 -5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.102 11.694 -5.800 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.060 12.910 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.130 14.391 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.891 13.535 -7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.416 12.771 -6.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.418 14.712 -7.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.492 15.404 -6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.937 15.459 -7.630 1.00 0.00 H new ATOM 76 N HIS A 5 -8.974 10.878 -1.401 1.00 0.00 N ATOM 77 CA HIS A 5 -7.889 10.964 -0.423 1.00 0.00 C ATOM 78 C HIS A 5 -6.821 9.905 -0.698 1.00 0.00 C ATOM 79 O HIS A 5 -5.626 10.167 -0.548 1.00 0.00 O ATOM 80 CB HIS A 5 -8.433 10.792 0.997 1.00 0.00 C ATOM 81 CG HIS A 5 -8.468 12.065 1.785 1.00 0.00 C ATOM 82 ND1 HIS A 5 -7.362 12.585 2.425 1.00 0.00 N ATOM 83 CD2 HIS A 5 -9.484 12.924 2.038 1.00 0.00 C ATOM 84 CE1 HIS A 5 -7.696 13.706 3.039 1.00 0.00 C ATOM 85 NE2 HIS A 5 -8.977 13.934 2.818 1.00 0.00 N ATOM 0 H HIS A 5 -9.894 10.709 -0.995 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.434 11.950 -0.514 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.441 10.380 0.943 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.819 10.064 1.526 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -10.503 12.832 1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -7.034 14.329 3.622 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -9.506 14.732 3.170 1.00 0.00 H new ATOM 94 N CYS A 6 -7.260 8.712 -1.106 1.00 0.00 N ATOM 95 CA CYS A 6 -6.343 7.615 -1.408 1.00 0.00 C ATOM 96 C CYS A 6 -5.427 7.981 -2.575 1.00 0.00 C ATOM 97 O CYS A 6 -4.229 7.698 -2.546 1.00 0.00 O ATOM 98 CB CYS A 6 -7.123 6.338 -1.738 1.00 0.00 C ATOM 99 SG CYS A 6 -6.229 4.811 -1.366 1.00 0.00 S ATOM 0 H CYS A 6 -8.246 8.483 -1.234 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.729 7.436 -0.525 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.060 6.343 -1.181 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.382 6.346 -2.797 1.00 0.00 H new ATOM 0 HG CYS A 6 -6.732 3.834 -2.061 1.00 0.00 H new ATOM 105 N ASN A 7 -6.000 8.619 -3.598 1.00 0.00 N ATOM 106 CA ASN A 7 -5.235 9.031 -4.774 1.00 0.00 C ATOM 107 C ASN A 7 -4.117 10.000 -4.388 1.00 0.00 C ATOM 108 O ASN A 7 -3.030 9.968 -4.968 1.00 0.00 O ATOM 109 CB ASN A 7 -6.153 9.679 -5.816 1.00 0.00 C ATOM 110 CG ASN A 7 -6.600 8.697 -6.882 1.00 0.00 C ATOM 111 OD1 ASN A 7 -5.860 8.407 -7.822 1.00 0.00 O ATOM 112 ND2 ASN A 7 -7.815 8.178 -6.742 1.00 0.00 N ATOM 0 H ASN A 7 -6.990 8.861 -3.635 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.785 8.138 -5.208 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.029 10.093 -5.317 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.632 10.512 -6.288 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.167 7.512 -7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.396 8.446 -5.947 1.00 0.00 H new ATOM 119 N VAL A 8 -4.390 10.857 -3.404 1.00 0.00 N ATOM 120 CA VAL A 8 -3.406 11.831 -2.940 1.00 0.00 C ATOM 121 C VAL A 8 -2.236 11.136 -2.240 1.00 0.00 C ATOM 122 O VAL A 8 -1.075 11.480 -2.466 1.00 0.00 O ATOM 123 CB VAL A 8 -4.034 12.864 -1.977 1.00 0.00 C ATOM 124 CG1 VAL A 8 -3.025 13.948 -1.623 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.291 13.478 -2.582 1.00 0.00 C ATOM 0 H VAL A 8 -5.284 10.895 -2.914 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.041 12.355 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.318 12.345 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.485 14.666 -0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.159 13.495 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.707 14.460 -2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.714 14.202 -1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.038 13.979 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.021 12.693 -2.778 1.00 0.00 H new ATOM 135 N ILE A 9 -2.550 10.152 -1.396 1.00 0.00 N ATOM 136 CA ILE A 9 -1.522 9.409 -0.669 1.00 0.00 C ATOM 137 C ILE A 9 -0.638 8.611 -1.628 1.00 0.00 C ATOM 138 O ILE A 9 0.584 8.589 -1.480 1.00 0.00 O ATOM 139 CB ILE A 9 -2.139 8.445 0.369 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.095 9.195 1.303 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.043 7.754 1.170 1.00 0.00 C ATOM 142 CD1 ILE A 9 -4.071 8.289 2.021 1.00 0.00 C ATOM 0 H ILE A 9 -3.505 9.852 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.915 10.147 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.709 7.685 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.512 9.745 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.653 9.931 0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.494 7.078 1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.402 7.186 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.447 8.503 1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.716 8.887 2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.680 7.757 1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.521 7.569 2.627 1.00 0.00 H new ATOM 154 N LEU A 10 -1.263 7.962 -2.612 1.00 0.00 N ATOM 155 CA LEU A 10 -0.529 7.167 -3.597 1.00 0.00 C ATOM 156 C LEU A 10 0.479 8.031 -4.355 1.00 0.00 C ATOM 157 O LEU A 10 1.600 7.597 -4.625 1.00 0.00 O ATOM 158 CB LEU A 10 -1.498 6.510 -4.587 1.00 0.00 C ATOM 159 CG LEU A 10 -1.115 5.094 -5.036 1.00 0.00 C ATOM 160 CD1 LEU A 10 -2.296 4.146 -4.880 1.00 0.00 C ATOM 161 CD2 LEU A 10 -0.622 5.102 -6.478 1.00 0.00 C ATOM 0 H LEU A 10 -2.274 7.971 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 10 0.014 6.389 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.488 6.474 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.576 7.145 -5.470 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.304 4.741 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.005 3.146 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.602 4.115 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.128 4.497 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.355 4.088 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.411 5.477 -7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.253 5.746 -6.560 1.00 0.00 H new ATOM 173 N LYS A 11 0.073 9.258 -4.690 1.00 0.00 N ATOM 174 CA LYS A 11 0.938 10.188 -5.411 1.00 0.00 C ATOM 175 C LYS A 11 2.207 10.491 -4.612 1.00 0.00 C ATOM 176 O LYS A 11 3.285 10.639 -5.186 1.00 0.00 O ATOM 177 CB LYS A 11 0.189 11.488 -5.719 1.00 0.00 C ATOM 178 CG LYS A 11 -0.568 11.458 -7.038 1.00 0.00 C ATOM 179 CD LYS A 11 -1.276 12.776 -7.308 1.00 0.00 C ATOM 180 CE LYS A 11 -2.352 12.623 -8.374 1.00 0.00 C ATOM 181 NZ LYS A 11 -2.707 13.927 -9.003 1.00 0.00 N ATOM 0 H LYS A 11 -0.852 9.629 -4.472 1.00 0.00 H new ATOM 0 HA LYS A 11 1.228 9.716 -6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.514 11.693 -4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.902 12.312 -5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.125 11.244 -7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.298 10.649 -7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.726 13.144 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.549 13.522 -7.628 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.005 11.933 -9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.243 12.181 -7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.443 13.777 -9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.063 14.578 -8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.863 14.337 -9.451 1.00 0.00 H new ATOM 195 N GLU A 12 2.072 10.576 -3.287 1.00 0.00 N ATOM 196 CA GLU A 12 3.214 10.854 -2.415 1.00 0.00 C ATOM 197 C GLU A 12 4.211 9.694 -2.429 1.00 0.00 C ATOM 198 O GLU A 12 5.425 9.909 -2.423 1.00 0.00 O ATOM 199 CB GLU A 12 2.741 11.116 -0.980 1.00 0.00 C ATOM 200 CG GLU A 12 3.777 11.820 -0.115 1.00 0.00 C ATOM 201 CD GLU A 12 4.032 13.249 -0.555 1.00 0.00 C ATOM 202 OE1 GLU A 12 4.874 13.452 -1.457 1.00 0.00 O ATOM 203 OE2 GLU A 12 3.392 14.165 0.002 1.00 0.00 O ATOM 0 H GLU A 12 1.186 10.457 -2.796 1.00 0.00 H new ATOM 0 HA GLU A 12 3.715 11.745 -2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.834 11.720 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.476 10.167 -0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.441 11.818 0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.712 11.261 -0.148 1.00 0.00 H new ATOM 210 N LEU A 13 3.690 8.466 -2.450 1.00 0.00 N ATOM 211 CA LEU A 13 4.532 7.268 -2.469 1.00 0.00 C ATOM 212 C LEU A 13 5.286 7.149 -3.796 1.00 0.00 C ATOM 213 O LEU A 13 6.433 6.703 -3.828 1.00 0.00 O ATOM 214 CB LEU A 13 3.686 6.009 -2.232 1.00 0.00 C ATOM 215 CG LEU A 13 2.727 6.074 -1.036 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.726 4.928 -1.092 1.00 0.00 C ATOM 217 CD2 LEU A 13 3.500 6.047 0.277 1.00 0.00 C ATOM 0 H LEU A 13 2.688 8.275 -2.454 1.00 0.00 H new ATOM 0 HA LEU A 13 5.261 7.360 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.104 5.809 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.358 5.162 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 13 2.178 7.014 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.054 4.990 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.147 4.995 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.259 3.978 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.801 6.094 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.079 5.125 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.174 6.902 0.320 1.00 0.00 H new ATOM 229 N LEU A 14 4.633 7.553 -4.888 1.00 0.00 N ATOM 230 CA LEU A 14 5.238 7.495 -6.221 1.00 0.00 C ATOM 231 C LEU A 14 6.019 8.775 -6.554 1.00 0.00 C ATOM 232 O LEU A 14 6.789 8.797 -7.515 1.00 0.00 O ATOM 233 CB LEU A 14 4.156 7.269 -7.285 1.00 0.00 C ATOM 234 CG LEU A 14 4.057 5.840 -7.827 1.00 0.00 C ATOM 235 CD1 LEU A 14 2.964 5.068 -7.102 1.00 0.00 C ATOM 236 CD2 LEU A 14 3.795 5.858 -9.328 1.00 0.00 C ATOM 0 H LEU A 14 3.683 7.925 -4.875 1.00 0.00 H new ATOM 0 HA LEU A 14 5.939 6.660 -6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.191 7.547 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.344 7.944 -8.120 1.00 0.00 H new ATOM 0 HG LEU A 14 5.007 5.336 -7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.908 4.055 -7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.193 5.027 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.007 5.568 -7.248 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.727 4.835 -9.698 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.858 6.379 -9.528 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.612 6.373 -9.834 1.00 0.00 H new ATOM 248 N SER A 15 5.808 9.841 -5.773 1.00 0.00 N ATOM 249 CA SER A 15 6.486 11.119 -6.009 1.00 0.00 C ATOM 250 C SER A 15 8.009 10.967 -5.994 1.00 0.00 C ATOM 251 O SER A 15 8.658 11.083 -7.035 1.00 0.00 O ATOM 252 CB SER A 15 6.047 12.158 -4.969 1.00 0.00 C ATOM 253 OG SER A 15 6.002 13.456 -5.535 1.00 0.00 O ATOM 0 H SER A 15 5.174 9.843 -4.974 1.00 0.00 H new ATOM 0 HA SER A 15 6.198 11.463 -7.002 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.064 11.894 -4.578 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.738 12.149 -4.126 1.00 0.00 H new ATOM 0 HG SER A 15 5.718 14.100 -4.853 1.00 0.00 H new ATOM 259 N LYS A 16 8.572 10.708 -4.813 1.00 0.00 N ATOM 260 CA LYS A 16 10.022 10.539 -4.661 1.00 0.00 C ATOM 261 C LYS A 16 10.404 10.362 -3.192 1.00 0.00 C ATOM 262 O LYS A 16 11.264 9.543 -2.863 1.00 0.00 O ATOM 263 CB LYS A 16 10.788 11.729 -5.257 1.00 0.00 C ATOM 264 CG LYS A 16 10.286 13.092 -4.801 1.00 0.00 C ATOM 265 CD LYS A 16 11.337 14.170 -5.018 1.00 0.00 C ATOM 266 CE LYS A 16 11.476 15.075 -3.803 1.00 0.00 C ATOM 267 NZ LYS A 16 10.381 16.085 -3.729 1.00 0.00 N ATOM 0 H LYS A 16 8.046 10.610 -3.944 1.00 0.00 H new ATOM 0 HA LYS A 16 10.300 9.638 -5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.841 11.636 -4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.726 11.678 -6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.379 13.350 -5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.019 13.049 -3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.298 13.703 -5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.069 14.769 -5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.471 14.469 -2.897 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.438 15.586 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.514 16.680 -2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.400 16.681 -4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.464 15.599 -3.668 1.00 0.00 H new ATOM 281 N LYS A 17 9.757 11.132 -2.312 1.00 0.00 N ATOM 282 CA LYS A 17 10.021 11.060 -0.877 1.00 0.00 C ATOM 283 C LYS A 17 9.955 9.616 -0.376 1.00 0.00 C ATOM 284 O LYS A 17 10.805 9.184 0.403 1.00 0.00 O ATOM 285 CB LYS A 17 9.015 11.925 -0.115 1.00 0.00 C ATOM 286 CG LYS A 17 9.411 12.188 1.327 1.00 0.00 C ATOM 287 CD LYS A 17 8.345 12.983 2.065 1.00 0.00 C ATOM 288 CE LYS A 17 8.313 14.436 1.610 1.00 0.00 C ATOM 289 NZ LYS A 17 9.162 15.314 2.466 1.00 0.00 N ATOM 0 H LYS A 17 9.045 11.814 -2.572 1.00 0.00 H new ATOM 0 HA LYS A 17 11.028 11.436 -0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.903 12.878 -0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.041 11.436 -0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.577 11.240 1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.355 12.733 1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.369 12.527 1.897 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.536 12.941 3.137 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.655 14.499 0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.285 14.798 1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.109 16.293 2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.821 15.276 3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.148 14.986 2.429 1.00 0.00 H new ATOM 303 N HIS A 18 8.945 8.875 -0.836 1.00 0.00 N ATOM 304 CA HIS A 18 8.770 7.477 -0.445 1.00 0.00 C ATOM 305 C HIS A 18 8.772 6.557 -1.669 1.00 0.00 C ATOM 306 O HIS A 18 8.159 5.487 -1.655 1.00 0.00 O ATOM 307 CB HIS A 18 7.467 7.308 0.339 1.00 0.00 C ATOM 308 CG HIS A 18 7.391 8.174 1.555 1.00 0.00 C ATOM 309 ND1 HIS A 18 8.229 8.021 2.638 1.00 0.00 N ATOM 310 CD2 HIS A 18 6.578 9.213 1.853 1.00 0.00 C ATOM 311 CE1 HIS A 18 7.934 8.927 3.551 1.00 0.00 C ATOM 312 NE2 HIS A 18 6.936 9.663 3.099 1.00 0.00 N ATOM 0 H HIS A 18 8.235 9.222 -1.481 1.00 0.00 H new ATOM 0 HA HIS A 18 9.609 7.196 0.192 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.626 7.537 -0.315 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.364 6.265 0.638 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.794 9.613 1.228 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.425 9.046 4.505 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.501 10.441 3.596 1.00 0.00 H new ATOM 321 N ALA A 19 9.474 6.979 -2.723 1.00 0.00 N ATOM 322 CA ALA A 19 9.565 6.196 -3.952 1.00 0.00 C ATOM 323 C ALA A 19 10.500 5.003 -3.780 1.00 0.00 C ATOM 324 O ALA A 19 10.273 3.946 -4.367 1.00 0.00 O ATOM 325 CB ALA A 19 10.035 7.065 -5.109 1.00 0.00 C ATOM 0 H ALA A 19 9.987 7.860 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 19 8.568 5.818 -4.177 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.096 6.462 -6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.328 7.880 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.018 7.476 -4.880 1.00 0.00 H new ATOM 331 N ALA A 20 11.548 5.177 -2.966 1.00 0.00 N ATOM 332 CA ALA A 20 12.515 4.106 -2.713 1.00 0.00 C ATOM 333 C ALA A 20 11.825 2.834 -2.217 1.00 0.00 C ATOM 334 O ALA A 20 12.294 1.727 -2.477 1.00 0.00 O ATOM 335 CB ALA A 20 13.572 4.563 -1.715 1.00 0.00 C ATOM 0 H ALA A 20 11.746 6.048 -2.473 1.00 0.00 H new ATOM 0 HA ALA A 20 13.004 3.872 -3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.281 3.754 -1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.100 5.428 -2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.092 4.834 -0.775 1.00 0.00 H new ATOM 341 N TYR A 21 10.707 3.003 -1.509 1.00 0.00 N ATOM 342 CA TYR A 21 9.943 1.869 -0.987 1.00 0.00 C ATOM 343 C TYR A 21 8.726 1.565 -1.873 1.00 0.00 C ATOM 344 O TYR A 21 8.080 0.526 -1.716 1.00 0.00 O ATOM 345 CB TYR A 21 9.486 2.145 0.451 1.00 0.00 C ATOM 346 CG TYR A 21 10.452 2.995 1.250 1.00 0.00 C ATOM 347 CD1 TYR A 21 11.817 2.736 1.233 1.00 0.00 C ATOM 348 CD2 TYR A 21 9.997 4.059 2.018 1.00 0.00 C ATOM 349 CE1 TYR A 21 12.701 3.512 1.957 1.00 0.00 C ATOM 350 CE2 TYR A 21 10.874 4.839 2.745 1.00 0.00 C ATOM 351 CZ TYR A 21 12.225 4.561 2.711 1.00 0.00 C ATOM 352 OH TYR A 21 13.104 5.335 3.434 1.00 0.00 O ATOM 0 H TYR A 21 10.310 3.915 -1.284 1.00 0.00 H new ATOM 0 HA TYR A 21 10.598 0.997 -0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.516 2.642 0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.343 1.195 0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.193 1.913 0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.940 4.280 2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.759 3.297 1.932 1.00 0.00 H new ATOM 0 HE2 TYR A 21 10.504 5.663 3.337 1.00 0.00 H new ATOM 0 HH TYR A 21 12.609 6.034 3.911 1.00 0.00 H new ATOM 362 N ALA A 22 8.417 2.475 -2.804 1.00 0.00 N ATOM 363 CA ALA A 22 7.282 2.304 -3.709 1.00 0.00 C ATOM 364 C ALA A 22 7.614 1.369 -4.872 1.00 0.00 C ATOM 365 O ALA A 22 6.795 0.528 -5.241 1.00 0.00 O ATOM 366 CB ALA A 22 6.822 3.655 -4.241 1.00 0.00 C ATOM 0 H ALA A 22 8.941 3.338 -2.948 1.00 0.00 H new ATOM 0 HA ALA A 22 6.475 1.846 -3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.976 3.512 -4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.520 4.290 -3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.640 4.131 -4.782 1.00 0.00 H new ATOM 372 N TRP A 23 8.809 1.519 -5.456 1.00 0.00 N ATOM 373 CA TRP A 23 9.210 0.676 -6.583 1.00 0.00 C ATOM 374 C TRP A 23 9.434 -0.789 -6.173 1.00 0.00 C ATOM 375 O TRP A 23 9.090 -1.691 -6.939 1.00 0.00 O ATOM 376 CB TRP A 23 10.454 1.238 -7.289 1.00 0.00 C ATOM 377 CG TRP A 23 11.708 1.172 -6.475 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.234 2.167 -5.707 1.00 0.00 C ATOM 379 CD2 TRP A 23 12.597 0.056 -6.356 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.388 1.737 -5.105 1.00 0.00 N ATOM 381 CE2 TRP A 23 13.636 0.445 -5.489 1.00 0.00 C ATOM 382 CE3 TRP A 23 12.614 -1.235 -6.892 1.00 0.00 C ATOM 383 CZ2 TRP A 23 14.681 -0.411 -5.149 1.00 0.00 C ATOM 384 CZ3 TRP A 23 13.652 -2.083 -6.555 1.00 0.00 C ATOM 385 CH2 TRP A 23 14.672 -1.668 -5.690 1.00 0.00 C ATOM 0 H TRP A 23 9.505 2.207 -5.170 1.00 0.00 H new ATOM 0 HA TRP A 23 8.379 0.689 -7.288 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.609 0.689 -8.218 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.265 2.277 -7.560 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.804 3.151 -5.590 1.00 0.00 H new ATOM 0 HE1 TRP A 23 13.968 2.289 -4.473 1.00 0.00 H new ATOM 0 HE3 TRP A 23 11.830 -1.564 -7.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.470 -0.094 -4.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 13.677 -3.082 -6.965 1.00 0.00 H new ATOM 0 HH2 TRP A 23 15.469 -2.355 -5.445 1.00 0.00 H new ATOM 396 N PRO A 24 10.002 -1.071 -4.971 1.00 0.00 N ATOM 397 CA PRO A 24 10.231 -2.454 -4.532 1.00 0.00 C ATOM 398 C PRO A 24 8.920 -3.203 -4.303 1.00 0.00 C ATOM 399 O PRO A 24 8.795 -4.373 -4.667 1.00 0.00 O ATOM 400 CB PRO A 24 11.007 -2.304 -3.220 1.00 0.00 C ATOM 401 CG PRO A 24 10.671 -0.942 -2.729 1.00 0.00 C ATOM 402 CD PRO A 24 10.454 -0.098 -3.955 1.00 0.00 C ATOM 0 HA PRO A 24 10.769 -3.035 -5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.714 -3.067 -2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.080 -2.412 -3.381 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.777 -0.962 -2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.477 -0.539 -2.116 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.707 0.677 -3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.370 0.406 -4.262 1.00 0.00 H new ATOM 410 N PHE A 25 7.940 -2.514 -3.712 1.00 0.00 N ATOM 411 CA PHE A 25 6.632 -3.112 -3.451 1.00 0.00 C ATOM 412 C PHE A 25 5.675 -2.912 -4.636 1.00 0.00 C ATOM 413 O PHE A 25 4.529 -3.364 -4.594 1.00 0.00 O ATOM 414 CB PHE A 25 6.020 -2.518 -2.178 1.00 0.00 C ATOM 415 CG PHE A 25 6.705 -2.959 -0.912 1.00 0.00 C ATOM 416 CD1 PHE A 25 6.943 -4.304 -0.668 1.00 0.00 C ATOM 417 CD2 PHE A 25 7.108 -2.030 0.034 1.00 0.00 C ATOM 418 CE1 PHE A 25 7.570 -4.711 0.495 1.00 0.00 C ATOM 419 CE2 PHE A 25 7.735 -2.431 1.198 1.00 0.00 C ATOM 420 CZ PHE A 25 7.967 -3.773 1.428 1.00 0.00 C ATOM 0 H PHE A 25 8.029 -1.545 -3.407 1.00 0.00 H new ATOM 0 HA PHE A 25 6.779 -4.183 -3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.058 -1.430 -2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.968 -2.798 -2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.635 -5.041 -1.395 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.930 -0.979 -0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.749 -5.761 0.674 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.043 -1.696 1.927 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.458 -4.089 2.336 1.00 0.00 H new ATOM 430 N TYR A 26 6.148 -2.236 -5.689 1.00 0.00 N ATOM 431 CA TYR A 26 5.333 -1.985 -6.873 1.00 0.00 C ATOM 432 C TYR A 26 5.127 -3.268 -7.674 1.00 0.00 C ATOM 433 O TYR A 26 3.996 -3.725 -7.847 1.00 0.00 O ATOM 434 CB TYR A 26 5.996 -0.925 -7.758 1.00 0.00 C ATOM 435 CG TYR A 26 5.034 0.099 -8.317 1.00 0.00 C ATOM 436 CD1 TYR A 26 3.957 -0.286 -9.107 1.00 0.00 C ATOM 437 CD2 TYR A 26 5.209 1.452 -8.060 1.00 0.00 C ATOM 438 CE1 TYR A 26 3.083 0.650 -9.624 1.00 0.00 C ATOM 439 CE2 TYR A 26 4.340 2.394 -8.574 1.00 0.00 C ATOM 440 CZ TYR A 26 3.278 1.988 -9.356 1.00 0.00 C ATOM 441 OH TYR A 26 2.410 2.922 -9.873 1.00 0.00 O ATOM 0 H TYR A 26 7.092 -1.854 -5.741 1.00 0.00 H new ATOM 0 HA TYR A 26 4.360 -1.621 -6.542 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.762 -0.410 -7.178 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.502 -1.422 -8.585 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.801 -1.333 -9.320 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.039 1.773 -7.448 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.250 0.335 -10.236 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.491 3.443 -8.365 1.00 0.00 H new ATOM 0 HH TYR A 26 1.766 3.188 -9.183 1.00 0.00 H new ATOM 451 N LYS A 27 6.229 -3.842 -8.160 1.00 0.00 N ATOM 452 CA LYS A 27 6.174 -5.073 -8.945 1.00 0.00 C ATOM 453 C LYS A 27 5.701 -6.251 -8.094 1.00 0.00 C ATOM 454 O LYS A 27 6.042 -6.352 -6.913 1.00 0.00 O ATOM 455 CB LYS A 27 7.545 -5.388 -9.556 1.00 0.00 C ATOM 456 CG LYS A 27 8.667 -5.506 -8.534 1.00 0.00 C ATOM 457 CD LYS A 27 9.740 -6.477 -8.998 1.00 0.00 C ATOM 458 CE LYS A 27 10.875 -6.580 -7.991 1.00 0.00 C ATOM 459 NZ LYS A 27 11.944 -5.574 -8.251 1.00 0.00 N ATOM 0 H LYS A 27 7.170 -3.473 -8.023 1.00 0.00 H new ATOM 0 HA LYS A 27 5.455 -4.918 -9.749 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.476 -6.322 -10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.800 -4.607 -10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.111 -4.525 -8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.259 -5.841 -7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.299 -7.462 -9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.135 -6.151 -9.960 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.481 -6.439 -6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.303 -7.582 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.698 -5.678 -7.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.338 -5.724 -9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.542 -4.617 -8.190 1.00 0.00 H new ATOM 473 N PRO A 28 4.908 -7.162 -8.689 1.00 0.00 N ATOM 474 CA PRO A 28 4.392 -8.341 -7.987 1.00 0.00 C ATOM 475 C PRO A 28 5.458 -9.421 -7.809 1.00 0.00 C ATOM 476 O PRO A 28 6.630 -9.211 -8.134 1.00 0.00 O ATOM 477 CB PRO A 28 3.282 -8.835 -8.917 1.00 0.00 C ATOM 478 CG PRO A 28 3.725 -8.419 -10.276 1.00 0.00 C ATOM 479 CD PRO A 28 4.458 -7.117 -10.096 1.00 0.00 C ATOM 0 HA PRO A 28 4.055 -8.106 -6.977 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.161 -9.916 -8.852 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.321 -8.391 -8.659 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.374 -9.173 -10.722 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.872 -8.297 -10.944 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.300 -7.033 -10.783 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.808 -6.262 -10.282 1.00 0.00 H new ATOM 487 N VAL A 29 5.041 -10.579 -7.307 1.00 0.00 N ATOM 488 CA VAL A 29 5.953 -11.695 -7.103 1.00 0.00 C ATOM 489 C VAL A 29 5.773 -12.728 -8.212 1.00 0.00 C ATOM 490 O VAL A 29 4.991 -13.672 -8.076 1.00 0.00 O ATOM 491 CB VAL A 29 5.740 -12.366 -5.728 1.00 0.00 C ATOM 492 CG1 VAL A 29 6.851 -13.368 -5.446 1.00 0.00 C ATOM 493 CG2 VAL A 29 5.662 -11.317 -4.624 1.00 0.00 C ATOM 0 H VAL A 29 4.076 -10.767 -7.034 1.00 0.00 H new ATOM 0 HA VAL A 29 6.968 -11.299 -7.130 1.00 0.00 H new ATOM 0 HB VAL A 29 4.793 -12.905 -5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.685 -13.831 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.852 -14.137 -6.219 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.812 -12.854 -5.444 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.512 -11.810 -3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.590 -10.747 -4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.828 -10.643 -4.820 1.00 0.00 H new ATOM 503 N ASP A 30 6.495 -12.532 -9.316 1.00 0.00 N ATOM 504 CA ASP A 30 6.413 -13.436 -10.460 1.00 0.00 C ATOM 505 C ASP A 30 7.075 -14.775 -10.146 1.00 0.00 C ATOM 506 O ASP A 30 8.206 -15.036 -10.558 1.00 0.00 O ATOM 507 CB ASP A 30 7.060 -12.797 -11.694 1.00 0.00 C ATOM 508 CG ASP A 30 6.337 -11.542 -12.155 1.00 0.00 C ATOM 509 OD1 ASP A 30 5.094 -11.484 -12.028 1.00 0.00 O ATOM 510 OD2 ASP A 30 7.017 -10.616 -12.644 1.00 0.00 O ATOM 0 H ASP A 30 7.143 -11.754 -9.441 1.00 0.00 H new ATOM 0 HA ASP A 30 5.360 -13.619 -10.673 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.098 -12.551 -11.468 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.074 -13.522 -12.508 1.00 0.00 H new ATOM 515 N ALA A 31 6.356 -15.621 -9.408 1.00 0.00 N ATOM 516 CA ALA A 31 6.859 -16.938 -9.028 1.00 0.00 C ATOM 517 C ALA A 31 7.002 -17.861 -10.239 1.00 0.00 C ATOM 518 O ALA A 31 7.836 -18.766 -10.236 1.00 0.00 O ATOM 519 CB ALA A 31 5.948 -17.566 -7.984 1.00 0.00 C ATOM 0 H ALA A 31 5.419 -15.415 -9.061 1.00 0.00 H new ATOM 0 HA ALA A 31 7.853 -16.804 -8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.333 -18.548 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.914 -16.929 -7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.944 -17.672 -8.394 1.00 0.00 H new ATOM 525 N SER A 32 6.192 -17.628 -11.275 1.00 0.00 N ATOM 526 CA SER A 32 6.249 -18.442 -12.490 1.00 0.00 C ATOM 527 C SER A 32 7.358 -17.953 -13.423 1.00 0.00 C ATOM 528 O SER A 32 7.964 -18.745 -14.146 1.00 0.00 O ATOM 529 CB SER A 32 4.903 -18.417 -13.221 1.00 0.00 C ATOM 530 OG SER A 32 4.875 -19.372 -14.269 1.00 0.00 O ATOM 0 H SER A 32 5.492 -16.886 -11.296 1.00 0.00 H new ATOM 0 HA SER A 32 6.470 -19.468 -12.195 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.098 -18.623 -12.515 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.724 -17.421 -13.627 1.00 0.00 H new ATOM 0 HG SER A 32 4.005 -19.338 -14.719 1.00 0.00 H new ATOM 536 N ALA A 33 7.618 -16.645 -13.402 1.00 0.00 N ATOM 537 CA ALA A 33 8.652 -16.048 -14.243 1.00 0.00 C ATOM 538 C ALA A 33 10.038 -16.202 -13.614 1.00 0.00 C ATOM 539 O ALA A 33 11.013 -16.484 -14.311 1.00 0.00 O ATOM 540 CB ALA A 33 8.340 -14.579 -14.497 1.00 0.00 C ATOM 0 H ALA A 33 7.124 -15.978 -12.809 1.00 0.00 H new ATOM 0 HA ALA A 33 8.660 -16.577 -15.196 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.118 -14.145 -15.125 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.377 -14.493 -15.001 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.301 -14.046 -13.547 1.00 0.00 H new ATOM 546 N LEU A 34 10.121 -16.012 -12.296 1.00 0.00 N ATOM 547 CA LEU A 34 11.393 -16.129 -11.583 1.00 0.00 C ATOM 548 C LEU A 34 11.592 -17.538 -11.022 1.00 0.00 C ATOM 549 O LEU A 34 12.647 -18.144 -11.216 1.00 0.00 O ATOM 550 CB LEU A 34 11.470 -15.101 -10.451 1.00 0.00 C ATOM 551 CG LEU A 34 11.940 -13.705 -10.872 1.00 0.00 C ATOM 552 CD1 LEU A 34 10.752 -12.778 -11.086 1.00 0.00 C ATOM 553 CD2 LEU A 34 12.892 -13.127 -9.834 1.00 0.00 C ATOM 0 H LEU A 34 9.325 -15.777 -11.703 1.00 0.00 H new ATOM 0 HA LEU A 34 12.191 -15.932 -12.299 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.485 -15.013 -9.993 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.145 -15.479 -9.683 1.00 0.00 H new ATOM 0 HG LEU A 34 12.475 -13.795 -11.817 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.109 -11.792 -11.384 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.110 -13.184 -11.868 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.185 -12.693 -10.159 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.216 -12.135 -10.150 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.382 -13.054 -8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.761 -13.778 -9.735 1.00 0.00 H new ATOM 565 N GLY A 35 10.578 -18.051 -10.324 1.00 0.00 N ATOM 566 CA GLY A 35 10.668 -19.382 -9.743 1.00 0.00 C ATOM 567 C GLY A 35 10.522 -19.365 -8.233 1.00 0.00 C ATOM 568 O GLY A 35 11.517 -19.404 -7.509 1.00 0.00 O ATOM 0 H GLY A 35 9.696 -17.568 -10.151 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.893 -20.016 -10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.627 -19.827 -10.008 1.00 0.00 H new ATOM 572 N LEU A 36 9.278 -19.303 -7.757 1.00 0.00 N ATOM 573 CA LEU A 36 9.008 -19.276 -6.322 1.00 0.00 C ATOM 574 C LEU A 36 7.722 -20.032 -5.984 1.00 0.00 C ATOM 575 O LEU A 36 6.744 -19.440 -5.521 1.00 0.00 O ATOM 576 CB LEU A 36 8.912 -17.828 -5.831 1.00 0.00 C ATOM 577 CG LEU A 36 10.236 -17.205 -5.383 1.00 0.00 C ATOM 578 CD1 LEU A 36 10.231 -15.704 -5.633 1.00 0.00 C ATOM 579 CD2 LEU A 36 10.498 -17.508 -3.913 1.00 0.00 C ATOM 0 H LEU A 36 8.444 -19.271 -8.344 1.00 0.00 H new ATOM 0 HA LEU A 36 9.835 -19.773 -5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.493 -17.217 -6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.210 -17.789 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 36 11.042 -17.645 -5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.180 -15.278 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.092 -15.513 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.417 -15.245 -5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.444 -17.057 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.691 -17.097 -3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.548 -18.587 -3.767 1.00 0.00 H new ATOM 591 N HIS A 37 7.730 -21.345 -6.210 1.00 0.00 N ATOM 592 CA HIS A 37 6.563 -22.176 -5.916 1.00 0.00 C ATOM 593 C HIS A 37 6.241 -22.150 -4.424 1.00 0.00 C ATOM 594 O HIS A 37 5.074 -22.167 -4.037 1.00 0.00 O ATOM 595 CB HIS A 37 6.789 -23.617 -6.379 1.00 0.00 C ATOM 596 CG HIS A 37 6.484 -23.834 -7.829 1.00 0.00 C ATOM 597 ND1 HIS A 37 7.087 -24.814 -8.589 1.00 0.00 N ATOM 598 CD2 HIS A 37 5.633 -23.187 -8.661 1.00 0.00 C ATOM 599 CE1 HIS A 37 6.621 -24.759 -9.825 1.00 0.00 C ATOM 600 NE2 HIS A 37 5.737 -23.781 -9.893 1.00 0.00 N ATOM 0 H HIS A 37 8.526 -21.854 -6.593 1.00 0.00 H new ATOM 0 HA HIS A 37 5.715 -21.765 -6.463 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.826 -23.893 -6.189 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.167 -24.284 -5.781 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.992 -22.357 -8.402 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.914 -25.404 -10.640 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.216 -23.511 -10.727 1.00 0.00 H new ATOM 609 N ASP A 38 7.284 -22.096 -3.591 1.00 0.00 N ATOM 610 CA ASP A 38 7.109 -22.056 -2.140 1.00 0.00 C ATOM 611 C ASP A 38 6.296 -20.829 -1.725 1.00 0.00 C ATOM 612 O ASP A 38 5.404 -20.924 -0.885 1.00 0.00 O ATOM 613 CB ASP A 38 8.470 -22.047 -1.432 1.00 0.00 C ATOM 614 CG ASP A 38 8.565 -23.082 -0.324 1.00 0.00 C ATOM 615 OD1 ASP A 38 8.105 -24.225 -0.531 1.00 0.00 O ATOM 616 OD2 ASP A 38 9.106 -22.749 0.752 1.00 0.00 O ATOM 0 H ASP A 38 8.257 -22.079 -3.898 1.00 0.00 H new ATOM 0 HA ASP A 38 6.564 -22.952 -1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.256 -22.232 -2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.650 -21.057 -1.014 1.00 0.00 H new ATOM 621 N TYR A 39 6.608 -19.679 -2.327 1.00 0.00 N ATOM 622 CA TYR A 39 5.900 -18.435 -2.022 1.00 0.00 C ATOM 623 C TYR A 39 4.424 -18.528 -2.411 1.00 0.00 C ATOM 624 O TYR A 39 3.562 -17.972 -1.731 1.00 0.00 O ATOM 625 CB TYR A 39 6.557 -17.252 -2.743 1.00 0.00 C ATOM 626 CG TYR A 39 6.107 -15.901 -2.229 1.00 0.00 C ATOM 627 CD1 TYR A 39 6.561 -15.412 -1.010 1.00 0.00 C ATOM 628 CD2 TYR A 39 5.227 -15.115 -2.963 1.00 0.00 C ATOM 629 CE1 TYR A 39 6.153 -14.179 -0.538 1.00 0.00 C ATOM 630 CE2 TYR A 39 4.815 -13.881 -2.498 1.00 0.00 C ATOM 631 CZ TYR A 39 5.280 -13.418 -1.287 1.00 0.00 C ATOM 632 OH TYR A 39 4.870 -12.188 -0.822 1.00 0.00 O ATOM 0 H TYR A 39 7.344 -19.584 -3.027 1.00 0.00 H new ATOM 0 HA TYR A 39 5.961 -18.274 -0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.639 -17.329 -2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.335 -17.318 -3.808 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.245 -16.006 -0.421 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.859 -15.475 -3.913 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.515 -13.814 0.411 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.131 -13.282 -3.081 1.00 0.00 H new ATOM 0 HH TYR A 39 4.257 -11.781 -1.470 1.00 0.00 H new ATOM 642 N HIS A 40 4.137 -19.234 -3.505 1.00 0.00 N ATOM 643 CA HIS A 40 2.762 -19.393 -3.972 1.00 0.00 C ATOM 644 C HIS A 40 2.039 -20.505 -3.209 1.00 0.00 C ATOM 645 O HIS A 40 0.827 -20.434 -3.003 1.00 0.00 O ATOM 646 CB HIS A 40 2.737 -19.684 -5.475 1.00 0.00 C ATOM 647 CG HIS A 40 1.667 -18.935 -6.209 1.00 0.00 C ATOM 648 ND1 HIS A 40 0.319 -19.136 -5.988 1.00 0.00 N ATOM 649 CD2 HIS A 40 1.751 -17.977 -7.162 1.00 0.00 C ATOM 650 CE1 HIS A 40 -0.378 -18.336 -6.776 1.00 0.00 C ATOM 651 NE2 HIS A 40 0.467 -17.622 -7.497 1.00 0.00 N ATOM 0 H HIS A 40 4.836 -19.703 -4.081 1.00 0.00 H new ATOM 0 HA HIS A 40 2.238 -18.456 -3.783 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.707 -19.430 -5.903 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.592 -20.753 -5.628 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.659 -17.568 -7.581 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.455 -18.276 -6.822 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.208 -16.920 -8.191 1.00 0.00 H new ATOM 660 N ASP A 41 2.783 -21.532 -2.794 1.00 0.00 N ATOM 661 CA ASP A 41 2.199 -22.651 -2.057 1.00 0.00 C ATOM 662 C ASP A 41 1.887 -22.261 -0.613 1.00 0.00 C ATOM 663 O ASP A 41 0.801 -22.548 -0.110 1.00 0.00 O ATOM 664 CB ASP A 41 3.138 -23.863 -2.080 1.00 0.00 C ATOM 665 CG ASP A 41 2.837 -24.804 -3.231 1.00 0.00 C ATOM 666 OD1 ASP A 41 1.730 -25.383 -3.251 1.00 0.00 O ATOM 667 OD2 ASP A 41 3.709 -24.962 -4.111 1.00 0.00 O ATOM 0 H ASP A 41 3.787 -21.611 -2.956 1.00 0.00 H new ATOM 0 HA ASP A 41 1.264 -22.918 -2.550 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.170 -23.519 -2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.051 -24.405 -1.138 1.00 0.00 H new ATOM 672 N ILE A 42 2.844 -21.609 0.050 1.00 0.00 N ATOM 673 CA ILE A 42 2.662 -21.188 1.439 1.00 0.00 C ATOM 674 C ILE A 42 1.690 -20.014 1.545 1.00 0.00 C ATOM 675 O ILE A 42 0.679 -20.101 2.244 1.00 0.00 O ATOM 676 CB ILE A 42 3.997 -20.785 2.104 1.00 0.00 C ATOM 677 CG1 ILE A 42 5.045 -21.888 1.931 1.00 0.00 C ATOM 678 CG2 ILE A 42 3.784 -20.484 3.582 1.00 0.00 C ATOM 679 CD1 ILE A 42 6.469 -21.384 2.027 1.00 0.00 C ATOM 0 H ILE A 42 3.749 -21.362 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 42 2.252 -22.051 1.963 1.00 0.00 H new ATOM 0 HB ILE A 42 4.364 -19.884 1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.886 -22.653 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.901 -22.367 0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.734 -20.202 4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.073 -19.664 3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.392 -21.370 4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.159 -22.217 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.645 -20.641 1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.629 -20.931 3.005 1.00 0.00 H new ATOM 691 N ILE A 43 2.005 -18.915 0.859 1.00 0.00 N ATOM 692 CA ILE A 43 1.158 -17.725 0.893 1.00 0.00 C ATOM 693 C ILE A 43 -0.169 -17.968 0.173 1.00 0.00 C ATOM 694 O ILE A 43 -1.233 -17.904 0.790 1.00 0.00 O ATOM 695 CB ILE A 43 1.863 -16.495 0.270 1.00 0.00 C ATOM 696 CG1 ILE A 43 3.260 -16.306 0.875 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.023 -15.239 0.470 1.00 0.00 C ATOM 698 CD1 ILE A 43 3.260 -16.143 2.382 1.00 0.00 C ATOM 0 H ILE A 43 2.837 -18.825 0.276 1.00 0.00 H new ATOM 0 HA ILE A 43 0.962 -17.515 1.944 1.00 0.00 H new ATOM 0 HB ILE A 43 1.973 -16.671 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.878 -17.165 0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.725 -15.429 0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.534 -14.385 0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.053 -15.370 -0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.881 -15.062 1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.284 -16.014 2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.670 -15.267 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.826 -17.030 2.844 1.00 0.00 H new ATOM 710 N LYS A 44 -0.094 -18.240 -1.135 1.00 0.00 N ATOM 711 CA LYS A 44 -1.279 -18.493 -1.964 1.00 0.00 C ATOM 712 C LYS A 44 -2.012 -17.198 -2.342 1.00 0.00 C ATOM 713 O LYS A 44 -2.691 -17.152 -3.369 1.00 0.00 O ATOM 714 CB LYS A 44 -2.238 -19.456 -1.260 1.00 0.00 C ATOM 715 CG LYS A 44 -3.106 -20.263 -2.218 1.00 0.00 C ATOM 716 CD LYS A 44 -3.232 -21.713 -1.776 1.00 0.00 C ATOM 717 CE LYS A 44 -3.881 -22.571 -2.851 1.00 0.00 C ATOM 718 NZ LYS A 44 -3.534 -24.013 -2.700 1.00 0.00 N ATOM 0 H LYS A 44 0.786 -18.291 -1.647 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.927 -18.952 -2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.660 -20.142 -0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.883 -18.888 -0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.097 -19.813 -2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.677 -20.224 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.244 -22.109 -1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.823 -21.765 -0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.964 -22.452 -2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.563 -22.223 -3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.997 -24.562 -3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.503 -24.131 -2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.860 -24.353 -1.773 1.00 0.00 H new ATOM 732 N HIS A 45 -1.873 -16.152 -1.522 1.00 0.00 N ATOM 733 CA HIS A 45 -2.525 -14.871 -1.792 1.00 0.00 C ATOM 734 C HIS A 45 -1.506 -13.723 -1.790 1.00 0.00 C ATOM 735 O HIS A 45 -1.579 -12.813 -0.960 1.00 0.00 O ATOM 736 CB HIS A 45 -3.621 -14.610 -0.754 1.00 0.00 C ATOM 737 CG HIS A 45 -5.007 -14.850 -1.268 1.00 0.00 C ATOM 738 ND1 HIS A 45 -5.889 -13.831 -1.563 1.00 0.00 N ATOM 739 CD2 HIS A 45 -5.666 -16.004 -1.536 1.00 0.00 C ATOM 740 CE1 HIS A 45 -7.029 -14.347 -1.988 1.00 0.00 C ATOM 741 NE2 HIS A 45 -6.919 -15.662 -1.981 1.00 0.00 N ATOM 0 H HIS A 45 -1.316 -16.169 -0.668 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.977 -14.920 -2.783 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.448 -15.249 0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.544 -13.579 -0.409 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.278 -17.005 -1.421 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.902 -13.788 -2.290 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.648 -16.319 -2.261 1.00 0.00 H new ATOM 750 N PRO A 46 -0.533 -13.754 -2.723 1.00 0.00 N ATOM 751 CA PRO A 46 0.503 -12.718 -2.824 1.00 0.00 C ATOM 752 C PRO A 46 -0.037 -11.402 -3.387 1.00 0.00 C ATOM 753 O PRO A 46 -0.325 -11.294 -4.581 1.00 0.00 O ATOM 754 CB PRO A 46 1.529 -13.342 -3.772 1.00 0.00 C ATOM 755 CG PRO A 46 0.738 -14.274 -4.623 1.00 0.00 C ATOM 756 CD PRO A 46 -0.365 -14.804 -3.748 1.00 0.00 C ATOM 0 HA PRO A 46 0.914 -12.450 -1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.026 -12.581 -4.374 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.307 -13.871 -3.221 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.331 -13.758 -5.493 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.363 -15.085 -4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.283 -14.963 -4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.097 -15.761 -3.301 1.00 0.00 H new ATOM 764 N MET A 47 -0.173 -10.404 -2.512 1.00 0.00 N ATOM 765 CA MET A 47 -0.679 -9.091 -2.908 1.00 0.00 C ATOM 766 C MET A 47 0.468 -8.118 -3.176 1.00 0.00 C ATOM 767 O MET A 47 1.551 -8.248 -2.604 1.00 0.00 O ATOM 768 CB MET A 47 -1.598 -8.521 -1.821 1.00 0.00 C ATOM 769 CG MET A 47 -3.054 -8.929 -1.978 1.00 0.00 C ATOM 770 SD MET A 47 -4.035 -7.685 -2.841 1.00 0.00 S ATOM 771 CE MET A 47 -4.458 -8.566 -4.342 1.00 0.00 C ATOM 0 H MET A 47 0.061 -10.482 -1.522 1.00 0.00 H new ATOM 0 HA MET A 47 -1.249 -9.217 -3.829 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.240 -8.851 -0.845 1.00 0.00 H new ATOM 0 HB3 MET A 47 -1.531 -7.433 -1.834 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.107 -9.871 -2.524 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.486 -9.107 -0.993 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.036 -7.913 -4.996 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.546 -8.875 -4.852 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.050 -9.446 -4.093 1.00 0.00 H new ATOM 781 N ASP A 48 0.220 -7.148 -4.056 1.00 0.00 N ATOM 782 CA ASP A 48 1.226 -6.146 -4.412 1.00 0.00 C ATOM 783 C ASP A 48 0.563 -4.832 -4.832 1.00 0.00 C ATOM 784 O ASP A 48 -0.614 -4.812 -5.201 1.00 0.00 O ATOM 785 CB ASP A 48 2.113 -6.667 -5.546 1.00 0.00 C ATOM 786 CG ASP A 48 1.300 -7.197 -6.712 1.00 0.00 C ATOM 787 OD1 ASP A 48 0.774 -8.325 -6.606 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.180 -6.478 -7.725 1.00 0.00 O ATOM 0 H ASP A 48 -0.672 -7.034 -4.537 1.00 0.00 H new ATOM 0 HA ASP A 48 1.842 -5.957 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.764 -5.865 -5.894 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.758 -7.459 -5.166 1.00 0.00 H new ATOM 793 N LEU A 49 1.325 -3.737 -4.775 1.00 0.00 N ATOM 794 CA LEU A 49 0.811 -2.417 -5.150 1.00 0.00 C ATOM 795 C LEU A 49 0.310 -2.396 -6.596 1.00 0.00 C ATOM 796 O LEU A 49 -0.669 -1.715 -6.904 1.00 0.00 O ATOM 797 CB LEU A 49 1.885 -1.341 -4.961 1.00 0.00 C ATOM 798 CG LEU A 49 1.613 -0.349 -3.825 1.00 0.00 C ATOM 799 CD1 LEU A 49 2.321 -0.787 -2.551 1.00 0.00 C ATOM 800 CD2 LEU A 49 2.045 1.057 -4.225 1.00 0.00 C ATOM 0 H LEU A 49 2.299 -3.738 -4.473 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.031 -2.202 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.841 -1.831 -4.774 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.989 -0.784 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 49 0.540 -0.334 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.116 -0.070 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.960 -1.772 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.395 -0.833 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.844 1.747 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.112 1.060 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.489 1.371 -5.108 1.00 0.00 H new ATOM 812 N SER A 50 0.983 -3.140 -7.480 1.00 0.00 N ATOM 813 CA SER A 50 0.592 -3.193 -8.890 1.00 0.00 C ATOM 814 C SER A 50 -0.833 -3.724 -9.048 1.00 0.00 C ATOM 815 O SER A 50 -1.602 -3.217 -9.867 1.00 0.00 O ATOM 816 CB SER A 50 1.564 -4.064 -9.693 1.00 0.00 C ATOM 817 OG SER A 50 2.393 -3.269 -10.525 1.00 0.00 O ATOM 0 H SER A 50 1.796 -3.710 -7.245 1.00 0.00 H new ATOM 0 HA SER A 50 0.628 -2.175 -9.278 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.181 -4.649 -9.011 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.004 -4.773 -10.303 1.00 0.00 H new ATOM 0 HG SER A 50 3.005 -3.848 -11.026 1.00 0.00 H new ATOM 823 N THR A 51 -1.185 -4.740 -8.259 1.00 0.00 N ATOM 824 CA THR A 51 -2.523 -5.325 -8.318 1.00 0.00 C ATOM 825 C THR A 51 -3.561 -4.362 -7.744 1.00 0.00 C ATOM 826 O THR A 51 -4.655 -4.219 -8.294 1.00 0.00 O ATOM 827 CB THR A 51 -2.566 -6.660 -7.565 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.647 -7.586 -8.122 1.00 0.00 O ATOM 829 CG2 THR A 51 -3.935 -7.309 -7.574 1.00 0.00 C ATOM 0 H THR A 51 -0.564 -5.173 -7.575 1.00 0.00 H new ATOM 0 HA THR A 51 -2.763 -5.510 -9.365 1.00 0.00 H new ATOM 0 HB THR A 51 -2.303 -6.416 -6.536 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.691 -8.429 -7.625 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.895 -8.249 -7.024 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.657 -6.643 -7.102 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.239 -7.503 -8.603 1.00 0.00 H new ATOM 837 N VAL A 52 -3.210 -3.698 -6.642 1.00 0.00 N ATOM 838 CA VAL A 52 -4.110 -2.741 -6.002 1.00 0.00 C ATOM 839 C VAL A 52 -4.373 -1.546 -6.921 1.00 0.00 C ATOM 840 O VAL A 52 -5.483 -1.009 -6.950 1.00 0.00 O ATOM 841 CB VAL A 52 -3.543 -2.237 -4.656 1.00 0.00 C ATOM 842 CG1 VAL A 52 -4.529 -1.301 -3.974 1.00 0.00 C ATOM 843 CG2 VAL A 52 -3.197 -3.406 -3.743 1.00 0.00 C ATOM 0 H VAL A 52 -2.310 -3.806 -6.175 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.047 -3.263 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.628 -1.682 -4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.110 -0.958 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.721 -0.443 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.463 -1.831 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.800 -3.027 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.094 -3.993 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.449 -4.035 -4.225 1.00 0.00 H new ATOM 853 N LYS A 53 -3.350 -1.140 -7.678 1.00 0.00 N ATOM 854 CA LYS A 53 -3.476 -0.017 -8.607 1.00 0.00 C ATOM 855 C LYS A 53 -4.579 -0.283 -9.633 1.00 0.00 C ATOM 856 O LYS A 53 -5.335 0.621 -9.990 1.00 0.00 O ATOM 857 CB LYS A 53 -2.144 0.237 -9.322 1.00 0.00 C ATOM 858 CG LYS A 53 -2.097 1.552 -10.088 1.00 0.00 C ATOM 859 CD LYS A 53 -0.874 1.631 -10.990 1.00 0.00 C ATOM 860 CE LYS A 53 -0.924 2.852 -11.897 1.00 0.00 C ATOM 861 NZ LYS A 53 0.420 3.194 -12.446 1.00 0.00 N ATOM 0 H LYS A 53 -2.426 -1.573 -7.665 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.744 0.870 -8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.340 0.227 -8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.952 -0.583 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.000 1.656 -10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.085 2.384 -9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.028 1.668 -10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.810 0.728 -11.598 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.615 2.665 -12.719 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.315 3.703 -11.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.404 4.162 -12.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.130 3.132 -11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.665 2.527 -13.206 1.00 0.00 H new ATOM 875 N ARG A 54 -4.670 -1.532 -10.095 1.00 0.00 N ATOM 876 CA ARG A 54 -5.685 -1.919 -11.074 1.00 0.00 C ATOM 877 C ARG A 54 -7.092 -1.828 -10.481 1.00 0.00 C ATOM 878 O ARG A 54 -8.057 -1.549 -11.195 1.00 0.00 O ATOM 879 CB ARG A 54 -5.425 -3.341 -11.584 1.00 0.00 C ATOM 880 CG ARG A 54 -4.614 -3.390 -12.870 1.00 0.00 C ATOM 881 CD ARG A 54 -5.360 -4.124 -13.975 1.00 0.00 C ATOM 882 NE ARG A 54 -4.450 -4.796 -14.903 1.00 0.00 N ATOM 883 CZ ARG A 54 -4.812 -5.791 -15.718 1.00 0.00 C ATOM 884 NH1 ARG A 54 -6.067 -6.233 -15.734 1.00 0.00 N ATOM 885 NH2 ARG A 54 -3.913 -6.345 -16.524 1.00 0.00 N ATOM 0 H ARG A 54 -4.053 -2.291 -9.806 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.620 -1.223 -11.910 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.900 -3.904 -10.812 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.381 -3.839 -11.748 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.386 -2.375 -13.196 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.662 -3.886 -12.682 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.032 -4.859 -13.532 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.980 -3.416 -14.525 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.479 -4.486 -14.929 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.764 -5.812 -15.120 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.332 -6.993 -16.360 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.949 -6.011 -16.520 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.186 -7.105 -17.147 1.00 0.00 H new ATOM 899 N LYS A 55 -7.207 -2.068 -9.174 1.00 0.00 N ATOM 900 CA LYS A 55 -8.500 -2.012 -8.494 1.00 0.00 C ATOM 901 C LYS A 55 -8.985 -0.572 -8.345 1.00 0.00 C ATOM 902 O LYS A 55 -10.149 -0.273 -8.605 1.00 0.00 O ATOM 903 CB LYS A 55 -8.419 -2.670 -7.109 1.00 0.00 C ATOM 904 CG LYS A 55 -7.619 -3.965 -7.070 1.00 0.00 C ATOM 905 CD LYS A 55 -7.993 -4.895 -8.212 1.00 0.00 C ATOM 906 CE LYS A 55 -8.072 -6.341 -7.747 1.00 0.00 C ATOM 907 NZ LYS A 55 -8.312 -7.280 -8.879 1.00 0.00 N ATOM 0 H LYS A 55 -6.422 -2.303 -8.567 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.213 -2.560 -9.109 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.974 -1.962 -6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.431 -2.872 -6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.555 -3.736 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.791 -4.470 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.953 -4.593 -8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.256 -4.808 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.144 -6.611 -7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.873 -6.443 -7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.359 -8.254 -8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.210 -7.040 -9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.534 -7.202 -9.565 1.00 0.00 H new ATOM 921 N MET A 56 -8.090 0.316 -7.914 1.00 0.00 N ATOM 922 CA MET A 56 -8.436 1.727 -7.719 1.00 0.00 C ATOM 923 C MET A 56 -8.754 2.422 -9.045 1.00 0.00 C ATOM 924 O MET A 56 -9.626 3.289 -9.102 1.00 0.00 O ATOM 925 CB MET A 56 -7.306 2.466 -6.994 1.00 0.00 C ATOM 926 CG MET A 56 -5.973 2.442 -7.725 1.00 0.00 C ATOM 927 SD MET A 56 -4.825 3.693 -7.115 1.00 0.00 S ATOM 928 CE MET A 56 -5.576 5.189 -7.753 1.00 0.00 C ATOM 0 H MET A 56 -7.121 0.086 -7.693 1.00 0.00 H new ATOM 0 HA MET A 56 -9.334 1.758 -7.102 1.00 0.00 H new ATOM 0 HB2 MET A 56 -7.605 3.503 -6.842 1.00 0.00 H new ATOM 0 HB3 MET A 56 -7.174 2.024 -6.006 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.521 1.456 -7.617 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.144 2.599 -8.790 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.834 5.987 -7.777 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.947 5.008 -8.762 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.404 5.484 -7.109 1.00 0.00 H new ATOM 938 N GLU A 57 -8.046 2.037 -10.107 1.00 0.00 N ATOM 939 CA GLU A 57 -8.259 2.624 -11.433 1.00 0.00 C ATOM 940 C GLU A 57 -9.582 2.156 -12.045 1.00 0.00 C ATOM 941 O GLU A 57 -10.194 2.871 -12.840 1.00 0.00 O ATOM 942 CB GLU A 57 -7.095 2.281 -12.373 1.00 0.00 C ATOM 943 CG GLU A 57 -6.997 0.800 -12.722 1.00 0.00 C ATOM 944 CD GLU A 57 -5.847 0.481 -13.664 1.00 0.00 C ATOM 945 OE1 GLU A 57 -4.879 1.270 -13.720 1.00 0.00 O ATOM 946 OE2 GLU A 57 -5.914 -0.566 -14.343 1.00 0.00 O ATOM 0 H GLU A 57 -7.320 1.321 -10.076 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.305 3.706 -11.308 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.203 2.855 -13.294 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.161 2.597 -11.909 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.877 0.224 -11.804 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.933 0.479 -13.179 1.00 0.00 H new ATOM 953 N ASN A 58 -10.019 0.957 -11.663 1.00 0.00 N ATOM 954 CA ASN A 58 -11.266 0.392 -12.161 1.00 0.00 C ATOM 955 C ASN A 58 -12.398 0.596 -11.153 1.00 0.00 C ATOM 956 O ASN A 58 -13.530 0.168 -11.389 1.00 0.00 O ATOM 957 CB ASN A 58 -11.083 -1.103 -12.445 1.00 0.00 C ATOM 958 CG ASN A 58 -11.108 -1.421 -13.928 1.00 0.00 C ATOM 959 OD1 ASN A 58 -12.174 -1.591 -14.519 1.00 0.00 O ATOM 960 ND2 ASN A 58 -9.931 -1.502 -14.540 1.00 0.00 N ATOM 0 H ASN A 58 -9.522 0.357 -11.005 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.532 0.906 -13.084 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.136 -1.436 -12.021 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.872 -1.664 -11.943 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.888 -1.712 -15.537 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.071 -1.354 -14.012 1.00 0.00 H new ATOM 967 N ARG A 59 -12.085 1.238 -10.019 1.00 0.00 N ATOM 968 CA ARG A 59 -13.068 1.481 -8.976 1.00 0.00 C ATOM 969 C ARG A 59 -13.596 0.157 -8.420 1.00 0.00 C ATOM 970 O ARG A 59 -14.764 0.045 -8.043 1.00 0.00 O ATOM 971 CB ARG A 59 -14.212 2.334 -9.519 1.00 0.00 C ATOM 972 CG ARG A 59 -15.033 3.007 -8.433 1.00 0.00 C ATOM 973 CD ARG A 59 -16.469 2.506 -8.422 1.00 0.00 C ATOM 974 NE ARG A 59 -17.127 2.745 -7.138 1.00 0.00 N ATOM 975 CZ ARG A 59 -18.217 2.092 -6.725 1.00 0.00 C ATOM 976 NH1 ARG A 59 -18.777 1.155 -7.488 1.00 0.00 N ATOM 977 NH2 ARG A 59 -18.748 2.377 -5.542 1.00 0.00 N ATOM 0 H ARG A 59 -11.153 1.596 -9.808 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.588 2.024 -8.162 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.803 3.098 -10.180 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.868 1.707 -10.123 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.575 2.820 -7.462 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.025 4.086 -8.587 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.031 3.001 -9.214 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.481 1.438 -8.642 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.730 3.453 -6.520 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.374 0.930 -8.397 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.609 0.663 -7.163 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.324 3.093 -4.952 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.580 1.880 -5.224 1.00 0.00 H new ATOM 991 N ASP A 60 -12.716 -0.843 -8.368 1.00 0.00 N ATOM 992 CA ASP A 60 -13.075 -2.162 -7.855 1.00 0.00 C ATOM 993 C ASP A 60 -13.393 -2.104 -6.360 1.00 0.00 C ATOM 994 O ASP A 60 -14.229 -2.864 -5.867 1.00 0.00 O ATOM 995 CB ASP A 60 -11.936 -3.153 -8.111 1.00 0.00 C ATOM 996 CG ASP A 60 -12.300 -4.576 -7.733 1.00 0.00 C ATOM 997 OD1 ASP A 60 -13.122 -5.189 -8.445 1.00 0.00 O ATOM 998 OD2 ASP A 60 -11.759 -5.076 -6.725 1.00 0.00 O ATOM 0 H ASP A 60 -11.747 -0.763 -8.676 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.969 -2.498 -8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.662 -3.121 -9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.058 -2.845 -7.544 1.00 0.00 H new ATOM 1003 N TYR A 61 -12.728 -1.196 -5.645 1.00 0.00 N ATOM 1004 CA TYR A 61 -12.946 -1.038 -4.216 1.00 0.00 C ATOM 1005 C TYR A 61 -14.195 -0.207 -3.957 1.00 0.00 C ATOM 1006 O TYR A 61 -14.356 0.881 -4.513 1.00 0.00 O ATOM 1007 CB TYR A 61 -11.731 -0.375 -3.562 1.00 0.00 C ATOM 1008 CG TYR A 61 -10.462 -1.196 -3.656 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -10.482 -2.570 -3.448 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -9.246 -0.596 -3.953 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -9.328 -3.321 -3.533 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -8.085 -1.340 -4.040 1.00 0.00 C ATOM 1013 CZ TYR A 61 -8.131 -2.703 -3.829 1.00 0.00 C ATOM 1014 OH TYR A 61 -6.975 -3.448 -3.915 1.00 0.00 O ATOM 0 H TYR A 61 -12.034 -0.560 -6.038 1.00 0.00 H new ATOM 0 HA TYR A 61 -13.086 -2.026 -3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -11.561 0.594 -4.031 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.953 -0.186 -2.512 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -11.417 -3.058 -3.216 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.207 0.470 -4.119 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.362 -4.388 -3.369 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.147 -0.858 -4.272 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.050 -4.236 -3.336 1.00 0.00 H new ATOM 1024 N ARG A 62 -15.074 -0.723 -3.106 1.00 0.00 N ATOM 1025 CA ARG A 62 -16.311 -0.025 -2.765 1.00 0.00 C ATOM 1026 C ARG A 62 -16.033 1.218 -1.913 1.00 0.00 C ATOM 1027 O ARG A 62 -16.925 2.046 -1.710 1.00 0.00 O ATOM 1028 CB ARG A 62 -17.267 -0.966 -2.025 1.00 0.00 C ATOM 1029 CG ARG A 62 -17.443 -2.317 -2.703 1.00 0.00 C ATOM 1030 CD ARG A 62 -18.867 -2.834 -2.566 1.00 0.00 C ATOM 1031 NE ARG A 62 -18.975 -4.248 -2.927 1.00 0.00 N ATOM 1032 CZ ARG A 62 -18.942 -4.706 -4.182 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -18.804 -3.867 -5.206 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -19.047 -6.010 -4.414 1.00 0.00 N ATOM 0 H ARG A 62 -14.955 -1.622 -2.639 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.778 0.299 -3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.896 -1.123 -1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -18.241 -0.484 -1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.187 -2.230 -3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -16.751 -3.037 -2.266 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -19.206 -2.695 -1.539 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -19.529 -2.246 -3.202 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.082 -4.927 -2.173 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -18.722 -2.865 -5.036 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -18.780 -4.227 -6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.153 -6.660 -3.635 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -19.022 -6.361 -5.371 1.00 0.00 H new ATOM 1048 N ASP A 63 -14.795 1.346 -1.419 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.403 2.487 -0.591 1.00 0.00 C ATOM 1050 C ASP A 63 -12.927 2.400 -0.201 1.00 0.00 C ATOM 1051 O ASP A 63 -12.239 1.439 -0.556 1.00 0.00 O ATOM 1052 CB ASP A 63 -15.274 2.559 0.671 1.00 0.00 C ATOM 1053 CG ASP A 63 -15.571 3.986 1.089 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -16.170 4.729 0.284 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -15.198 4.363 2.221 1.00 0.00 O ATOM 0 H ASP A 63 -14.048 0.670 -1.580 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.552 3.393 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.212 2.033 0.492 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.769 2.042 1.487 1.00 0.00 H new ATOM 1060 N ALA A 64 -12.446 3.405 0.537 1.00 0.00 N ATOM 1061 CA ALA A 64 -11.052 3.435 0.980 1.00 0.00 C ATOM 1062 C ALA A 64 -10.752 2.278 1.931 1.00 0.00 C ATOM 1063 O ALA A 64 -9.625 1.781 1.974 1.00 0.00 O ATOM 1064 CB ALA A 64 -10.728 4.763 1.649 1.00 0.00 C ATOM 0 H ALA A 64 -13.001 4.206 0.839 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.421 3.325 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.687 4.764 1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.890 5.576 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.375 4.902 2.515 1.00 0.00 H new ATOM 1070 N GLN A 65 -11.766 1.851 2.687 1.00 0.00 N ATOM 1071 CA GLN A 65 -11.611 0.748 3.632 1.00 0.00 C ATOM 1072 C GLN A 65 -11.095 -0.508 2.929 1.00 0.00 C ATOM 1073 O GLN A 65 -10.275 -1.243 3.482 1.00 0.00 O ATOM 1074 CB GLN A 65 -12.943 0.442 4.322 1.00 0.00 C ATOM 1075 CG GLN A 65 -13.252 1.374 5.484 1.00 0.00 C ATOM 1076 CD GLN A 65 -14.198 2.496 5.097 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -13.883 3.673 5.270 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -15.364 2.137 4.570 1.00 0.00 N ATOM 0 H GLN A 65 -12.703 2.254 2.662 1.00 0.00 H new ATOM 0 HA GLN A 65 -10.881 1.052 4.382 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.747 0.509 3.589 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.928 -0.586 4.685 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.691 0.799 6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.322 1.801 5.860 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.584 1.149 4.444 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.039 2.849 4.291 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.577 -0.747 1.708 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.160 -1.915 0.933 1.00 0.00 C ATOM 1089 C GLU A 66 -9.697 -1.799 0.504 1.00 0.00 C ATOM 1090 O GLU A 66 -8.947 -2.774 0.569 1.00 0.00 O ATOM 1091 CB GLU A 66 -12.053 -2.087 -0.300 1.00 0.00 C ATOM 1092 CG GLU A 66 -13.424 -2.671 0.011 1.00 0.00 C ATOM 1093 CD GLU A 66 -14.224 -1.814 0.975 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -14.552 -0.665 0.617 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -14.517 -2.291 2.091 1.00 0.00 O ATOM 0 H GLU A 66 -12.255 -0.148 1.236 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.262 -2.792 1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.182 -1.118 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.547 -2.734 -1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.984 -2.785 -0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.302 -3.668 0.434 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.296 -0.602 0.073 1.00 0.00 N ATOM 1103 CA PHE A 67 -7.920 -0.361 -0.358 1.00 0.00 C ATOM 1104 C PHE A 67 -6.947 -0.607 0.793 1.00 0.00 C ATOM 1105 O PHE A 67 -5.996 -1.377 0.659 1.00 0.00 O ATOM 1106 CB PHE A 67 -7.771 1.074 -0.876 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.422 1.379 -1.473 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -5.317 1.592 -0.662 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -6.263 1.462 -2.848 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -4.081 1.880 -1.212 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -5.030 1.748 -3.402 1.00 0.00 C ATOM 1112 CZ PHE A 67 -3.938 1.958 -2.583 1.00 0.00 C ATOM 0 H PHE A 67 -9.905 0.214 0.013 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.685 -1.054 -1.165 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.538 1.258 -1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.957 1.766 -0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.423 1.532 0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.113 1.301 -3.494 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.228 2.044 -0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.920 1.807 -4.475 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.974 2.183 -3.014 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.201 0.052 1.926 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.357 -0.091 3.111 1.00 0.00 C ATOM 1124 C ALA A 68 -6.260 -1.550 3.548 1.00 0.00 C ATOM 1125 O ALA A 68 -5.189 -2.018 3.938 1.00 0.00 O ATOM 1126 CB ALA A 68 -6.893 0.764 4.252 1.00 0.00 C ATOM 0 H ALA A 68 -7.987 0.691 2.046 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.356 0.252 2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.253 0.646 5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.903 1.811 3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.907 0.448 4.499 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.385 -2.265 3.480 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.426 -3.672 3.870 1.00 0.00 C ATOM 1134 C ALA A 69 -6.480 -4.513 3.013 1.00 0.00 C ATOM 1135 O ALA A 69 -5.745 -5.352 3.535 1.00 0.00 O ATOM 1136 CB ALA A 69 -8.848 -4.209 3.770 1.00 0.00 C ATOM 0 H ALA A 69 -8.278 -1.891 3.159 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.094 -3.742 4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.862 -5.259 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.500 -3.638 4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.201 -4.115 2.743 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.500 -4.279 1.699 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.640 -5.016 0.775 1.00 0.00 C ATOM 1144 C ASP A 70 -4.170 -4.643 0.965 1.00 0.00 C ATOM 1145 O ASP A 70 -3.289 -5.496 0.844 1.00 0.00 O ATOM 1146 CB ASP A 70 -6.064 -4.766 -0.678 1.00 0.00 C ATOM 1147 CG ASP A 70 -6.898 -5.901 -1.247 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -6.576 -7.076 -0.972 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -7.872 -5.613 -1.972 1.00 0.00 O ATOM 0 H ASP A 70 -7.101 -3.586 1.253 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.753 -6.077 0.997 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.634 -3.839 -0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.175 -4.629 -1.294 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.907 -3.371 1.266 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.537 -2.908 1.473 1.00 0.00 C ATOM 1156 C VAL A 71 -1.938 -3.524 2.736 1.00 0.00 C ATOM 1157 O VAL A 71 -0.806 -4.009 2.720 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.454 -1.370 1.576 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -1.004 -0.921 1.683 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -3.135 -0.709 0.385 1.00 0.00 C ATOM 0 H VAL A 71 -4.619 -2.649 1.371 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.967 -3.228 0.601 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.979 -1.060 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.964 0.166 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.552 -1.360 2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.456 -1.247 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.063 0.374 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.645 -1.026 -0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.184 -1.002 0.357 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.706 -3.506 3.827 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.252 -4.070 5.099 1.00 0.00 C ATOM 1172 C ARG A 72 -1.902 -5.552 4.948 1.00 0.00 C ATOM 1173 O ARG A 72 -0.970 -6.044 5.587 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.324 -3.889 6.177 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.182 -2.596 6.971 1.00 0.00 C ATOM 1176 CD ARG A 72 -4.456 -1.764 6.923 1.00 0.00 C ATOM 1177 NE ARG A 72 -4.896 -1.353 8.256 1.00 0.00 N ATOM 1178 CZ ARG A 72 -5.494 -2.169 9.130 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -5.714 -3.445 8.822 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -5.869 -1.707 10.316 1.00 0.00 N ATOM 0 H ARG A 72 -3.644 -3.107 3.855 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.352 -3.535 5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.307 -3.910 5.707 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.282 -4.734 6.865 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.939 -2.830 8.007 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.351 -2.013 6.572 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.288 -0.879 6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.247 -2.340 6.442 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.737 -0.385 8.536 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.426 -3.807 7.913 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.171 -4.061 9.495 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.701 -0.731 10.559 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.325 -2.328 10.984 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.649 -6.256 4.093 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.412 -7.679 3.851 1.00 0.00 C ATOM 1196 C LEU A 73 -1.003 -7.910 3.306 1.00 0.00 C ATOM 1197 O LEU A 73 -0.317 -8.846 3.719 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.450 -8.232 2.867 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.601 -9.757 2.864 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -5.043 -10.153 2.581 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -2.662 -10.388 1.844 1.00 0.00 C ATOM 0 H LEU A 73 -3.423 -5.862 3.557 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.507 -8.205 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.418 -7.788 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.182 -7.908 1.861 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.332 -10.128 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.129 -11.240 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.693 -9.736 3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.342 -9.767 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.785 -11.471 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.897 -10.009 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.631 -10.136 2.094 1.00 0.00 H new ATOM 1213 N MET A 74 -0.578 -7.047 2.382 1.00 0.00 N ATOM 1214 CA MET A 74 0.752 -7.147 1.780 1.00 0.00 C ATOM 1215 C MET A 74 1.848 -7.013 2.837 1.00 0.00 C ATOM 1216 O MET A 74 2.851 -7.729 2.795 1.00 0.00 O ATOM 1217 CB MET A 74 0.934 -6.069 0.708 1.00 0.00 C ATOM 1218 CG MET A 74 1.872 -6.478 -0.414 1.00 0.00 C ATOM 1219 SD MET A 74 3.368 -5.472 -0.476 1.00 0.00 S ATOM 1220 CE MET A 74 2.899 -4.246 -1.694 1.00 0.00 C ATOM 0 H MET A 74 -1.138 -6.269 2.033 1.00 0.00 H new ATOM 0 HA MET A 74 0.836 -8.131 1.319 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.039 -5.822 0.284 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.316 -5.163 1.178 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.148 -7.525 -0.287 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.348 -6.400 -1.366 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.493 -4.385 -2.597 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.842 -4.358 -1.934 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.076 -3.248 -1.293 1.00 0.00 H new ATOM 1230 N PHE A 75 1.650 -6.092 3.782 1.00 0.00 N ATOM 1231 CA PHE A 75 2.621 -5.862 4.851 1.00 0.00 C ATOM 1232 C PHE A 75 2.676 -7.052 5.805 1.00 0.00 C ATOM 1233 O PHE A 75 3.759 -7.507 6.176 1.00 0.00 O ATOM 1234 CB PHE A 75 2.275 -4.588 5.629 1.00 0.00 C ATOM 1235 CG PHE A 75 2.645 -3.324 4.906 1.00 0.00 C ATOM 1236 CD1 PHE A 75 3.927 -2.808 4.998 1.00 0.00 C ATOM 1237 CD2 PHE A 75 1.711 -2.654 4.133 1.00 0.00 C ATOM 1238 CE1 PHE A 75 4.270 -1.647 4.332 1.00 0.00 C ATOM 1239 CE2 PHE A 75 2.050 -1.494 3.465 1.00 0.00 C ATOM 1240 CZ PHE A 75 3.331 -0.990 3.564 1.00 0.00 C ATOM 0 H PHE A 75 0.825 -5.494 3.828 1.00 0.00 H new ATOM 0 HA PHE A 75 3.601 -5.741 4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.205 -4.578 5.837 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.786 -4.610 6.591 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.667 -3.319 5.597 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.707 -3.043 4.052 1.00 0.00 H new ATOM 0 HE1 PHE A 75 5.273 -1.254 4.413 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.313 -0.981 2.865 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.598 -0.083 3.041 1.00 0.00 H new ATOM 1250 N SER A 76 1.504 -7.553 6.198 1.00 0.00 N ATOM 1251 CA SER A 76 1.424 -8.693 7.109 1.00 0.00 C ATOM 1252 C SER A 76 1.985 -9.956 6.458 1.00 0.00 C ATOM 1253 O SER A 76 2.611 -10.780 7.125 1.00 0.00 O ATOM 1254 CB SER A 76 -0.024 -8.931 7.552 1.00 0.00 C ATOM 1255 OG SER A 76 -0.086 -9.865 8.618 1.00 0.00 O ATOM 0 H SER A 76 0.600 -7.187 5.900 1.00 0.00 H new ATOM 0 HA SER A 76 2.027 -8.460 7.987 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.471 -7.988 7.865 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.610 -9.298 6.709 1.00 0.00 H new ATOM 0 HG SER A 76 -1.020 -9.998 8.883 1.00 0.00 H new ATOM 1261 N ASN A 77 1.756 -10.102 5.151 1.00 0.00 N ATOM 1262 CA ASN A 77 2.239 -11.265 4.409 1.00 0.00 C ATOM 1263 C ASN A 77 3.764 -11.337 4.435 1.00 0.00 C ATOM 1264 O ASN A 77 4.337 -12.393 4.705 1.00 0.00 O ATOM 1265 CB ASN A 77 1.748 -11.216 2.959 1.00 0.00 C ATOM 1266 CG ASN A 77 0.413 -11.914 2.769 1.00 0.00 C ATOM 1267 OD1 ASN A 77 -0.288 -12.214 3.735 1.00 0.00 O ATOM 1268 ND2 ASN A 77 0.052 -12.175 1.516 1.00 0.00 N ATOM 0 H ASN A 77 1.239 -9.428 4.586 1.00 0.00 H new ATOM 0 HA ASN A 77 1.841 -12.158 4.892 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.658 -10.176 2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.492 -11.681 2.312 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.836 -12.641 1.327 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.663 -11.909 0.743 1.00 0.00 H new ATOM 1275 N CYS A 78 4.414 -10.209 4.153 1.00 0.00 N ATOM 1276 CA CYS A 78 5.874 -10.144 4.144 1.00 0.00 C ATOM 1277 C CYS A 78 6.451 -10.461 5.523 1.00 0.00 C ATOM 1278 O CYS A 78 7.473 -11.137 5.632 1.00 0.00 O ATOM 1279 CB CYS A 78 6.346 -8.761 3.687 1.00 0.00 C ATOM 1280 SG CYS A 78 6.905 -8.701 1.968 1.00 0.00 S ATOM 0 H CYS A 78 3.952 -9.328 3.928 1.00 0.00 H new ATOM 0 HA CYS A 78 6.235 -10.895 3.441 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.531 -8.049 3.818 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.160 -8.435 4.334 1.00 0.00 H new ATOM 0 HG CYS A 78 7.281 -7.491 1.676 1.00 0.00 H new ATOM 1286 N TYR A 79 5.790 -9.970 6.572 1.00 0.00 N ATOM 1287 CA TYR A 79 6.242 -10.203 7.942 1.00 0.00 C ATOM 1288 C TYR A 79 6.110 -11.677 8.325 1.00 0.00 C ATOM 1289 O TYR A 79 7.060 -12.282 8.824 1.00 0.00 O ATOM 1290 CB TYR A 79 5.445 -9.339 8.922 1.00 0.00 C ATOM 1291 CG TYR A 79 6.079 -7.995 9.207 1.00 0.00 C ATOM 1292 CD1 TYR A 79 7.276 -7.903 9.907 1.00 0.00 C ATOM 1293 CD2 TYR A 79 5.476 -6.818 8.781 1.00 0.00 C ATOM 1294 CE1 TYR A 79 7.853 -6.676 10.174 1.00 0.00 C ATOM 1295 CE2 TYR A 79 6.048 -5.589 9.042 1.00 0.00 C ATOM 1296 CZ TYR A 79 7.236 -5.522 9.739 1.00 0.00 C ATOM 1297 OH TYR A 79 7.805 -4.298 10.006 1.00 0.00 O ATOM 0 H TYR A 79 4.941 -9.409 6.498 1.00 0.00 H new ATOM 0 HA TYR A 79 7.295 -9.927 7.996 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.444 -9.180 8.521 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.330 -9.882 9.860 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.763 -8.805 10.248 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.544 -6.865 8.237 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.783 -6.621 10.721 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.567 -4.684 8.702 1.00 0.00 H new ATOM 0 HH TYR A 79 7.245 -3.588 9.629 1.00 0.00 H new ATOM 1307 N LYS A 80 4.927 -12.249 8.092 1.00 0.00 N ATOM 1308 CA LYS A 80 4.674 -13.652 8.417 1.00 0.00 C ATOM 1309 C LYS A 80 5.588 -14.581 7.616 1.00 0.00 C ATOM 1310 O LYS A 80 6.079 -15.581 8.142 1.00 0.00 O ATOM 1311 CB LYS A 80 3.207 -14.012 8.155 1.00 0.00 C ATOM 1312 CG LYS A 80 2.300 -13.816 9.363 1.00 0.00 C ATOM 1313 CD LYS A 80 2.771 -14.631 10.560 1.00 0.00 C ATOM 1314 CE LYS A 80 1.598 -15.178 11.362 1.00 0.00 C ATOM 1315 NZ LYS A 80 2.028 -16.187 12.374 1.00 0.00 N ATOM 0 H LYS A 80 4.131 -11.762 7.680 1.00 0.00 H new ATOM 0 HA LYS A 80 4.889 -13.788 9.477 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.835 -13.403 7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.150 -15.052 7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.273 -12.760 9.630 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.282 -14.105 9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.394 -15.457 10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.393 -14.008 11.203 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.089 -14.356 11.865 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.876 -15.632 10.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.197 -16.531 12.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.490 -16.985 11.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.697 -15.749 13.039 1.00 0.00 H new ATOM 1329 N TYR A 81 5.809 -14.249 6.343 1.00 0.00 N ATOM 1330 CA TYR A 81 6.661 -15.060 5.475 1.00 0.00 C ATOM 1331 C TYR A 81 8.139 -14.884 5.832 1.00 0.00 C ATOM 1332 O TYR A 81 8.785 -15.823 6.297 1.00 0.00 O ATOM 1333 CB TYR A 81 6.420 -14.699 4.004 1.00 0.00 C ATOM 1334 CG TYR A 81 7.250 -15.511 3.031 1.00 0.00 C ATOM 1335 CD1 TYR A 81 6.875 -16.800 2.671 1.00 0.00 C ATOM 1336 CD2 TYR A 81 8.410 -14.986 2.474 1.00 0.00 C ATOM 1337 CE1 TYR A 81 7.632 -17.542 1.784 1.00 0.00 C ATOM 1338 CE2 TYR A 81 9.171 -15.721 1.586 1.00 0.00 C ATOM 1339 CZ TYR A 81 8.779 -16.998 1.244 1.00 0.00 C ATOM 1340 OH TYR A 81 9.534 -17.733 0.359 1.00 0.00 O ATOM 0 H TYR A 81 5.410 -13.426 5.892 1.00 0.00 H new ATOM 0 HA TYR A 81 6.400 -16.107 5.628 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.364 -14.841 3.773 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.639 -13.641 3.859 1.00 0.00 H new ATOM 0 HD1 TYR A 81 5.977 -17.229 3.091 1.00 0.00 H new ATOM 0 HD2 TYR A 81 8.722 -13.987 2.740 1.00 0.00 H new ATOM 0 HE1 TYR A 81 7.327 -18.543 1.515 1.00 0.00 H new ATOM 0 HE2 TYR A 81 10.069 -15.297 1.161 1.00 0.00 H new ATOM 0 HH TYR A 81 10.308 -17.205 0.071 1.00 0.00 H new ATOM 1350 N ASN A 82 8.670 -13.679 5.612 1.00 0.00 N ATOM 1351 CA ASN A 82 10.072 -13.391 5.913 1.00 0.00 C ATOM 1352 C ASN A 82 10.217 -12.782 7.307 1.00 0.00 C ATOM 1353 O ASN A 82 9.624 -11.742 7.602 1.00 0.00 O ATOM 1354 CB ASN A 82 10.662 -12.443 4.862 1.00 0.00 C ATOM 1355 CG ASN A 82 11.568 -13.161 3.878 1.00 0.00 C ATOM 1356 OD1 ASN A 82 11.142 -13.535 2.786 1.00 0.00 O ATOM 1357 ND2 ASN A 82 12.827 -13.356 4.259 1.00 0.00 N ATOM 0 H ASN A 82 8.151 -12.890 5.227 1.00 0.00 H new ATOM 0 HA ASN A 82 10.622 -14.332 5.889 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.851 -11.958 4.318 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.226 -11.656 5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.480 -13.832 3.637 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.139 -13.030 5.174 1.00 0.00 H new ATOM 1364 N PRO A 83 11.013 -13.424 8.188 1.00 0.00 N ATOM 1365 CA PRO A 83 11.235 -12.938 9.558 1.00 0.00 C ATOM 1366 C PRO A 83 11.963 -11.594 9.587 1.00 0.00 C ATOM 1367 O PRO A 83 12.582 -11.192 8.598 1.00 0.00 O ATOM 1368 CB PRO A 83 12.099 -14.031 10.197 1.00 0.00 C ATOM 1369 CG PRO A 83 12.748 -14.726 9.051 1.00 0.00 C ATOM 1370 CD PRO A 83 11.762 -14.667 7.919 1.00 0.00 C ATOM 0 HA PRO A 83 10.295 -12.764 10.082 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.841 -13.604 10.872 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.493 -14.720 10.785 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.684 -14.239 8.779 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.988 -15.758 9.306 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.262 -14.634 6.951 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.107 -15.538 7.910 1.00 0.00 H new ATOM 1378 N PRO A 84 11.903 -10.879 10.729 1.00 0.00 N ATOM 1379 CA PRO A 84 12.561 -9.580 10.881 1.00 0.00 C ATOM 1380 C PRO A 84 14.080 -9.704 10.831 1.00 0.00 C ATOM 1381 O PRO A 84 14.708 -10.197 11.771 1.00 0.00 O ATOM 1382 CB PRO A 84 12.116 -9.085 12.259 1.00 0.00 C ATOM 1383 CG PRO A 84 10.992 -9.979 12.671 1.00 0.00 C ATOM 1384 CD PRO A 84 11.197 -11.281 11.954 1.00 0.00 C ATOM 0 HA PRO A 84 12.291 -8.899 10.074 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.936 -9.133 12.975 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.792 -8.045 12.215 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.990 -10.127 13.751 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.030 -9.539 12.408 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.786 -11.980 12.548 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.250 -11.772 11.731 1.00 0.00 H new ATOM 1392 N ASP A 85 14.655 -9.256 9.722 1.00 0.00 N ATOM 1393 CA ASP A 85 16.103 -9.309 9.511 1.00 0.00 C ATOM 1394 C ASP A 85 16.471 -8.749 8.136 1.00 0.00 C ATOM 1395 O ASP A 85 17.444 -8.006 7.998 1.00 0.00 O ATOM 1396 CB ASP A 85 16.616 -10.751 9.638 1.00 0.00 C ATOM 1397 CG ASP A 85 17.913 -10.844 10.423 1.00 0.00 C ATOM 1398 OD1 ASP A 85 18.007 -10.213 11.497 1.00 0.00 O ATOM 1399 OD2 ASP A 85 18.834 -11.552 9.964 1.00 0.00 O ATOM 0 H ASP A 85 14.137 -8.847 8.945 1.00 0.00 H new ATOM 0 HA ASP A 85 16.576 -8.696 10.278 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.856 -11.361 10.126 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.768 -11.167 8.642 1.00 0.00 H new ATOM 1404 N HIS A 86 15.683 -9.117 7.124 1.00 0.00 N ATOM 1405 CA HIS A 86 15.913 -8.662 5.753 1.00 0.00 C ATOM 1406 C HIS A 86 15.727 -7.149 5.628 1.00 0.00 C ATOM 1407 O HIS A 86 15.003 -6.532 6.413 1.00 0.00 O ATOM 1408 CB HIS A 86 14.958 -9.379 4.793 1.00 0.00 C ATOM 1409 CG HIS A 86 15.646 -10.099 3.674 1.00 0.00 C ATOM 1410 ND1 HIS A 86 15.227 -10.021 2.363 1.00 0.00 N ATOM 1411 CD2 HIS A 86 16.725 -10.920 3.674 1.00 0.00 C ATOM 1412 CE1 HIS A 86 16.015 -10.763 1.606 1.00 0.00 C ATOM 1413 NE2 HIS A 86 16.932 -11.317 2.376 1.00 0.00 N ATOM 0 H HIS A 86 14.876 -9.732 7.230 1.00 0.00 H new ATOM 0 HA HIS A 86 16.944 -8.902 5.491 1.00 0.00 H new ATOM 0 HB2 HIS A 86 14.360 -10.094 5.358 1.00 0.00 H new ATOM 0 HB3 HIS A 86 14.267 -8.649 4.371 1.00 0.00 H new ATOM 0 HD2 HIS A 86 17.312 -11.208 4.534 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.924 -10.894 0.538 1.00 0.00 H new ATOM 0 HE2 HIS A 86 17.675 -11.940 2.058 1.00 0.00 H new ATOM 1422 N ASP A 87 16.382 -6.560 4.627 1.00 0.00 N ATOM 1423 CA ASP A 87 16.292 -5.121 4.383 1.00 0.00 C ATOM 1424 C ASP A 87 14.908 -4.733 3.861 1.00 0.00 C ATOM 1425 O ASP A 87 14.369 -3.687 4.229 1.00 0.00 O ATOM 1426 CB ASP A 87 17.365 -4.683 3.383 1.00 0.00 C ATOM 1427 CG ASP A 87 17.811 -3.251 3.605 1.00 0.00 C ATOM 1428 OD1 ASP A 87 18.676 -3.027 4.478 1.00 0.00 O ATOM 1429 OD2 ASP A 87 17.295 -2.353 2.907 1.00 0.00 O ATOM 0 H ASP A 87 16.982 -7.059 3.971 1.00 0.00 H new ATOM 0 HA ASP A 87 16.456 -4.611 5.333 1.00 0.00 H new ATOM 0 HB2 ASP A 87 18.226 -5.346 3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.978 -4.787 2.369 1.00 0.00 H new ATOM 1434 N VAL A 88 14.341 -5.580 2.999 1.00 0.00 N ATOM 1435 CA VAL A 88 13.021 -5.325 2.422 1.00 0.00 C ATOM 1436 C VAL A 88 11.937 -5.260 3.502 1.00 0.00 C ATOM 1437 O VAL A 88 11.015 -4.447 3.414 1.00 0.00 O ATOM 1438 CB VAL A 88 12.641 -6.395 1.372 1.00 0.00 C ATOM 1439 CG1 VAL A 88 12.512 -7.773 2.009 1.00 0.00 C ATOM 1440 CG2 VAL A 88 11.352 -6.008 0.658 1.00 0.00 C ATOM 0 H VAL A 88 14.776 -6.448 2.686 1.00 0.00 H new ATOM 0 HA VAL A 88 13.081 -4.356 1.927 1.00 0.00 H new ATOM 0 HB VAL A 88 13.443 -6.444 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 88 12.244 -8.503 1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 88 13.462 -8.054 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 88 11.737 -7.749 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.100 -6.772 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.544 -5.924 1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.488 -5.051 0.154 1.00 0.00 H new ATOM 1450 N VAL A 89 12.053 -6.115 4.520 1.00 0.00 N ATOM 1451 CA VAL A 89 11.082 -6.144 5.612 1.00 0.00 C ATOM 1452 C VAL A 89 11.076 -4.816 6.367 1.00 0.00 C ATOM 1453 O VAL A 89 10.014 -4.245 6.625 1.00 0.00 O ATOM 1454 CB VAL A 89 11.366 -7.292 6.606 1.00 0.00 C ATOM 1455 CG1 VAL A 89 10.231 -7.423 7.614 1.00 0.00 C ATOM 1456 CG2 VAL A 89 11.588 -8.606 5.867 1.00 0.00 C ATOM 0 H VAL A 89 12.808 -6.795 4.610 1.00 0.00 H new ATOM 0 HA VAL A 89 10.105 -6.313 5.160 1.00 0.00 H new ATOM 0 HB VAL A 89 12.279 -7.053 7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.450 -8.237 8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.130 -6.492 8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.300 -7.634 7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.786 -9.400 6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.697 -8.854 5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.440 -8.506 5.194 1.00 0.00 H new ATOM 1466 N ALA A 90 12.269 -4.323 6.710 1.00 0.00 N ATOM 1467 CA ALA A 90 12.400 -3.054 7.424 1.00 0.00 C ATOM 1468 C ALA A 90 11.828 -1.899 6.602 1.00 0.00 C ATOM 1469 O ALA A 90 11.299 -0.935 7.159 1.00 0.00 O ATOM 1470 CB ALA A 90 13.857 -2.783 7.770 1.00 0.00 C ATOM 0 H ALA A 90 13.155 -4.784 6.504 1.00 0.00 H new ATOM 0 HA ALA A 90 11.828 -3.130 8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.934 -1.834 8.301 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.236 -3.585 8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.446 -2.735 6.854 1.00 0.00 H new ATOM 1476 N MET A 91 11.927 -2.008 5.274 1.00 0.00 N ATOM 1477 CA MET A 91 11.410 -0.976 4.377 1.00 0.00 C ATOM 1478 C MET A 91 9.906 -0.803 4.573 1.00 0.00 C ATOM 1479 O MET A 91 9.406 0.321 4.646 1.00 0.00 O ATOM 1480 CB MET A 91 11.704 -1.337 2.916 1.00 0.00 C ATOM 1481 CG MET A 91 12.665 -0.381 2.229 1.00 0.00 C ATOM 1482 SD MET A 91 12.775 -0.673 0.453 1.00 0.00 S ATOM 1483 CE MET A 91 14.348 0.096 0.078 1.00 0.00 C ATOM 0 H MET A 91 12.360 -2.800 4.799 1.00 0.00 H new ATOM 0 HA MET A 91 11.909 -0.037 4.616 1.00 0.00 H new ATOM 0 HB2 MET A 91 12.118 -2.344 2.877 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.766 -1.356 2.361 1.00 0.00 H new ATOM 0 HG2 MET A 91 12.341 0.645 2.406 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.655 -0.484 2.673 1.00 0.00 H new ATOM 0 HE1 MET A 91 14.556 -0.003 -0.987 1.00 0.00 H new ATOM 0 HE2 MET A 91 14.309 1.152 0.344 1.00 0.00 H new ATOM 0 HE3 MET A 91 15.137 -0.393 0.649 1.00 0.00 H new ATOM 1493 N ALA A 92 9.192 -1.927 4.666 1.00 0.00 N ATOM 1494 CA ALA A 92 7.745 -1.910 4.863 1.00 0.00 C ATOM 1495 C ALA A 92 7.375 -1.232 6.184 1.00 0.00 C ATOM 1496 O ALA A 92 6.369 -0.528 6.266 1.00 0.00 O ATOM 1497 CB ALA A 92 7.189 -3.328 4.816 1.00 0.00 C ATOM 0 H ALA A 92 9.596 -2.862 4.608 1.00 0.00 H new ATOM 0 HA ALA A 92 7.299 -1.331 4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.109 -3.301 4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.411 -3.774 3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.648 -3.925 5.604 1.00 0.00 H new ATOM 1503 N ARG A 93 8.197 -1.448 7.214 1.00 0.00 N ATOM 1504 CA ARG A 93 7.958 -0.854 8.531 1.00 0.00 C ATOM 1505 C ARG A 93 7.867 0.669 8.440 1.00 0.00 C ATOM 1506 O ARG A 93 7.027 1.286 9.095 1.00 0.00 O ATOM 1507 CB ARG A 93 9.081 -1.241 9.499 1.00 0.00 C ATOM 1508 CG ARG A 93 8.897 -0.701 10.911 1.00 0.00 C ATOM 1509 CD ARG A 93 9.667 0.597 11.115 1.00 0.00 C ATOM 1510 NE ARG A 93 10.861 0.412 11.942 1.00 0.00 N ATOM 1511 CZ ARG A 93 11.879 1.277 11.985 1.00 0.00 C ATOM 1512 NH1 ARG A 93 11.855 2.389 11.252 1.00 0.00 N ATOM 1513 NH2 ARG A 93 12.926 1.032 12.766 1.00 0.00 N ATOM 0 H ARG A 93 9.033 -2.030 7.161 1.00 0.00 H new ATOM 0 HA ARG A 93 7.008 -1.238 8.903 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.150 -2.328 9.543 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.029 -0.877 9.103 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.837 -0.531 11.102 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.236 -1.444 11.633 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.959 1.000 10.145 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.014 1.334 11.583 1.00 0.00 H new ATOM 0 HE ARG A 93 10.919 -0.427 12.520 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.055 2.587 10.651 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.637 3.043 11.292 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.952 0.184 13.332 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.703 1.692 12.799 1.00 0.00 H new ATOM 1527 N LYS A 94 8.734 1.264 7.618 1.00 0.00 N ATOM 1528 CA LYS A 94 8.751 2.715 7.436 1.00 0.00 C ATOM 1529 C LYS A 94 7.448 3.205 6.801 1.00 0.00 C ATOM 1530 O LYS A 94 6.950 4.279 7.140 1.00 0.00 O ATOM 1531 CB LYS A 94 9.950 3.130 6.574 1.00 0.00 C ATOM 1532 CG LYS A 94 11.212 3.409 7.378 1.00 0.00 C ATOM 1533 CD LYS A 94 12.292 4.054 6.522 1.00 0.00 C ATOM 1534 CE LYS A 94 13.052 5.124 7.293 1.00 0.00 C ATOM 1535 NZ LYS A 94 14.142 5.731 6.478 1.00 0.00 N ATOM 0 H LYS A 94 9.432 0.763 7.069 1.00 0.00 H new ATOM 0 HA LYS A 94 8.845 3.178 8.419 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.157 2.341 5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.687 4.022 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.973 4.063 8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.589 2.477 7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.988 3.290 6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.838 4.496 5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.359 5.904 7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.476 4.687 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.256 6.731 6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 15.032 5.223 6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.900 5.663 5.469 1.00 0.00 H new ATOM 1549 N LEU A 95 6.895 2.410 5.882 1.00 0.00 N ATOM 1550 CA LEU A 95 5.645 2.771 5.215 1.00 0.00 C ATOM 1551 C LEU A 95 4.431 2.438 6.088 1.00 0.00 C ATOM 1552 O LEU A 95 3.376 3.058 5.950 1.00 0.00 O ATOM 1553 CB LEU A 95 5.522 2.061 3.862 1.00 0.00 C ATOM 1554 CG LEU A 95 5.228 2.987 2.674 1.00 0.00 C ATOM 1555 CD1 LEU A 95 6.508 3.327 1.924 1.00 0.00 C ATOM 1556 CD2 LEU A 95 4.210 2.355 1.732 1.00 0.00 C ATOM 0 H LEU A 95 7.291 1.518 5.585 1.00 0.00 H new ATOM 0 HA LEU A 95 5.666 3.848 5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.449 1.523 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.729 1.316 3.929 1.00 0.00 H new ATOM 0 HG LEU A 95 4.804 3.911 3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.275 3.984 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.202 3.830 2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.965 2.411 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.018 3.030 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.602 1.412 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.281 2.171 2.271 1.00 0.00 H new ATOM 1568 N GLN A 96 4.578 1.456 6.981 1.00 0.00 N ATOM 1569 CA GLN A 96 3.483 1.050 7.862 1.00 0.00 C ATOM 1570 C GLN A 96 3.151 2.130 8.892 1.00 0.00 C ATOM 1571 O GLN A 96 1.978 2.426 9.122 1.00 0.00 O ATOM 1572 CB GLN A 96 3.823 -0.257 8.578 1.00 0.00 C ATOM 1573 CG GLN A 96 2.941 -1.419 8.150 1.00 0.00 C ATOM 1574 CD GLN A 96 2.998 -2.594 9.109 1.00 0.00 C ATOM 1575 OE1 GLN A 96 1.972 -3.185 9.442 1.00 0.00 O ATOM 1576 NE2 GLN A 96 4.200 -2.943 9.556 1.00 0.00 N ATOM 0 H GLN A 96 5.442 0.930 7.112 1.00 0.00 H new ATOM 0 HA GLN A 96 2.605 0.900 7.233 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.866 -0.510 8.385 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.725 -0.111 9.654 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.910 -1.074 8.068 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.245 -1.752 7.158 1.00 0.00 H new ATOM 0 HE21 GLN A 96 5.026 -2.426 9.255 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.296 -3.728 10.200 1.00 0.00 H new ATOM 1585 N ASP A 97 4.181 2.710 9.514 1.00 0.00 N ATOM 1586 CA ASP A 97 3.977 3.751 10.524 1.00 0.00 C ATOM 1587 C ASP A 97 3.413 5.030 9.897 1.00 0.00 C ATOM 1588 O ASP A 97 2.531 5.669 10.473 1.00 0.00 O ATOM 1589 CB ASP A 97 5.282 4.046 11.287 1.00 0.00 C ATOM 1590 CG ASP A 97 6.382 4.618 10.411 1.00 0.00 C ATOM 1591 OD1 ASP A 97 6.323 5.821 10.086 1.00 0.00 O ATOM 1592 OD2 ASP A 97 7.311 3.864 10.060 1.00 0.00 O ATOM 0 H ASP A 97 5.158 2.478 9.337 1.00 0.00 H new ATOM 0 HA ASP A 97 3.244 3.377 11.239 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.070 4.747 12.094 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.639 3.126 11.749 1.00 0.00 H new ATOM 1597 N VAL A 98 3.914 5.397 8.713 1.00 0.00 N ATOM 1598 CA VAL A 98 3.438 6.598 8.024 1.00 0.00 C ATOM 1599 C VAL A 98 2.007 6.409 7.504 1.00 0.00 C ATOM 1600 O VAL A 98 1.204 7.343 7.533 1.00 0.00 O ATOM 1601 CB VAL A 98 4.367 7.011 6.854 1.00 0.00 C ATOM 1602 CG1 VAL A 98 4.407 5.941 5.773 1.00 0.00 C ATOM 1603 CG2 VAL A 98 3.927 8.346 6.269 1.00 0.00 C ATOM 0 H VAL A 98 4.642 4.884 8.216 1.00 0.00 H new ATOM 0 HA VAL A 98 3.448 7.400 8.762 1.00 0.00 H new ATOM 0 HB VAL A 98 5.376 7.120 7.252 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.067 6.262 4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.779 5.009 6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.403 5.785 5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.591 8.620 5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.906 8.261 5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.969 9.113 7.042 1.00 0.00 H new ATOM 1613 N PHE A 99 1.692 5.198 7.035 1.00 0.00 N ATOM 1614 CA PHE A 99 0.356 4.896 6.517 1.00 0.00 C ATOM 1615 C PHE A 99 -0.674 4.864 7.645 1.00 0.00 C ATOM 1616 O PHE A 99 -1.745 5.461 7.529 1.00 0.00 O ATOM 1617 CB PHE A 99 0.353 3.555 5.769 1.00 0.00 C ATOM 1618 CG PHE A 99 -0.850 3.350 4.882 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -1.021 4.107 3.732 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -1.807 2.394 5.196 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -2.121 3.917 2.916 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -2.909 2.201 4.382 1.00 0.00 C ATOM 1623 CZ PHE A 99 -3.066 2.963 3.241 1.00 0.00 C ATOM 0 H PHE A 99 2.343 4.413 7.004 1.00 0.00 H new ATOM 0 HA PHE A 99 0.084 5.689 5.820 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.255 3.488 5.161 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.397 2.745 6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.286 4.854 3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.690 1.794 6.086 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.241 4.514 2.024 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.646 1.455 4.639 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.925 2.814 2.604 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.348 4.165 8.735 1.00 0.00 N ATOM 1634 CA GLU A 100 -1.255 4.059 9.879 1.00 0.00 C ATOM 1635 C GLU A 100 -1.551 5.435 10.473 1.00 0.00 C ATOM 1636 O GLU A 100 -2.700 5.746 10.789 1.00 0.00 O ATOM 1637 CB GLU A 100 -0.668 3.138 10.956 1.00 0.00 C ATOM 1638 CG GLU A 100 -1.415 1.821 11.103 1.00 0.00 C ATOM 1639 CD GLU A 100 -0.943 0.768 10.118 1.00 0.00 C ATOM 1640 OE1 GLU A 100 -1.257 0.897 8.915 1.00 0.00 O ATOM 1641 OE2 GLU A 100 -0.259 -0.184 10.550 1.00 0.00 O ATOM 0 H GLU A 100 0.534 3.666 8.849 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.190 3.628 9.521 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.375 2.930 10.716 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.677 3.660 11.913 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.287 1.446 12.119 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.481 1.995 10.960 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.511 6.258 10.614 1.00 0.00 N ATOM 1649 CA PHE A 101 -0.666 7.604 11.163 1.00 0.00 C ATOM 1650 C PHE A 101 -1.510 8.477 10.235 1.00 0.00 C ATOM 1651 O PHE A 101 -2.328 9.275 10.695 1.00 0.00 O ATOM 1652 CB PHE A 101 0.703 8.250 11.391 1.00 0.00 C ATOM 1653 CG PHE A 101 1.187 8.144 12.811 1.00 0.00 C ATOM 1654 CD1 PHE A 101 1.498 6.910 13.362 1.00 0.00 C ATOM 1655 CD2 PHE A 101 1.329 9.278 13.595 1.00 0.00 C ATOM 1656 CE1 PHE A 101 1.940 6.811 14.668 1.00 0.00 C ATOM 1657 CE2 PHE A 101 1.772 9.184 14.901 1.00 0.00 C ATOM 1658 CZ PHE A 101 2.077 7.949 15.438 1.00 0.00 C ATOM 0 H PHE A 101 0.446 6.016 10.356 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.180 7.521 12.120 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.432 7.780 10.731 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.651 9.302 11.111 1.00 0.00 H new ATOM 0 HD1 PHE A 101 1.394 6.017 12.764 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.091 10.246 13.181 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.178 5.844 15.086 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.879 10.076 15.501 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.422 7.873 16.459 1.00 0.00 H new ATOM 1668 N ARG A 102 -1.311 8.316 8.925 1.00 0.00 N ATOM 1669 CA ARG A 102 -2.062 9.084 7.934 1.00 0.00 C ATOM 1670 C ARG A 102 -3.517 8.617 7.872 1.00 0.00 C ATOM 1671 O ARG A 102 -4.420 9.414 7.611 1.00 0.00 O ATOM 1672 CB ARG A 102 -1.412 8.967 6.551 1.00 0.00 C ATOM 1673 CG ARG A 102 -0.289 9.967 6.313 1.00 0.00 C ATOM 1674 CD ARG A 102 -0.830 11.333 5.910 1.00 0.00 C ATOM 1675 NE ARG A 102 0.098 12.062 5.043 1.00 0.00 N ATOM 1676 CZ ARG A 102 0.365 11.721 3.778 1.00 0.00 C ATOM 1677 NH1 ARG A 102 -0.204 10.647 3.233 1.00 0.00 N ATOM 1678 NH2 ARG A 102 1.207 12.453 3.057 1.00 0.00 N ATOM 0 H ARG A 102 -0.637 7.661 8.528 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.047 10.130 8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.019 7.958 6.429 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.177 9.106 5.787 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.310 10.065 7.219 1.00 0.00 H new ATOM 0 HG3 ARG A 102 0.373 9.592 5.532 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.783 11.207 5.395 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -1.027 11.922 6.805 1.00 0.00 H new ATOM 0 HE ARG A 102 0.570 12.880 5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.849 10.078 3.781 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.005 10.394 2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 102 1.650 13.275 3.468 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.411 12.193 2.092 1.00 0.00 H new ATOM 1692 N TYR A 103 -3.740 7.322 8.118 1.00 0.00 N ATOM 1693 CA TYR A 103 -5.089 6.755 8.096 1.00 0.00 C ATOM 1694 C TYR A 103 -5.991 7.437 9.125 1.00 0.00 C ATOM 1695 O TYR A 103 -7.189 7.597 8.897 1.00 0.00 O ATOM 1696 CB TYR A 103 -5.048 5.248 8.360 1.00 0.00 C ATOM 1697 CG TYR A 103 -6.230 4.497 7.779 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -6.335 4.280 6.410 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -7.239 4.006 8.599 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -7.410 3.595 5.876 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -8.318 3.320 8.072 1.00 0.00 C ATOM 1702 CZ TYR A 103 -8.398 3.117 6.710 1.00 0.00 C ATOM 1703 OH TYR A 103 -9.470 2.432 6.180 1.00 0.00 O ATOM 0 H TYR A 103 -3.004 6.649 8.334 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.503 6.929 7.103 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.128 4.839 7.942 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.013 5.077 9.436 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -5.564 4.653 5.753 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -7.179 4.163 9.666 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -7.476 3.435 4.810 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -9.094 2.945 8.723 1.00 0.00 H new ATOM 0 HH TYR A 103 -10.075 2.162 6.902 1.00 0.00 H new ATOM 1713 N ALA A 104 -5.407 7.847 10.256 1.00 0.00 N ATOM 1714 CA ALA A 104 -6.163 8.524 11.310 1.00 0.00 C ATOM 1715 C ALA A 104 -6.767 9.835 10.801 1.00 0.00 C ATOM 1716 O ALA A 104 -7.806 10.279 11.292 1.00 0.00 O ATOM 1717 CB ALA A 104 -5.277 8.788 12.519 1.00 0.00 C ATOM 0 H ALA A 104 -4.416 7.721 10.463 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.979 7.867 11.610 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.857 9.292 13.292 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.900 7.842 12.907 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.439 9.419 12.225 1.00 0.00 H new ATOM 1723 N LYS A 105 -6.111 10.444 9.810 1.00 0.00 N ATOM 1724 CA LYS A 105 -6.582 11.698 9.225 1.00 0.00 C ATOM 1725 C LYS A 105 -7.509 11.451 8.025 1.00 0.00 C ATOM 1726 O LYS A 105 -8.030 12.400 7.436 1.00 0.00 O ATOM 1727 CB LYS A 105 -5.390 12.561 8.793 1.00 0.00 C ATOM 1728 CG LYS A 105 -4.467 12.948 9.939 1.00 0.00 C ATOM 1729 CD LYS A 105 -4.409 14.457 10.123 1.00 0.00 C ATOM 1730 CE LYS A 105 -3.011 14.925 10.501 1.00 0.00 C ATOM 1731 NZ LYS A 105 -2.067 14.857 9.348 1.00 0.00 N ATOM 0 H LYS A 105 -5.250 10.086 9.396 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.154 12.224 9.989 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.815 12.020 8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.763 13.468 8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.814 12.481 10.861 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.465 12.565 9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.720 14.948 9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.115 14.756 10.898 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -3.059 15.950 10.870 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.631 14.310 11.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -1.186 15.353 9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.856 13.862 9.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.501 15.308 8.517 1.00 0.00 H new ATOM 1745 N MET A 106 -7.717 10.179 7.668 1.00 0.00 N ATOM 1746 CA MET A 106 -8.585 9.825 6.544 1.00 0.00 C ATOM 1747 C MET A 106 -10.018 10.324 6.761 1.00 0.00 C ATOM 1748 O MET A 106 -10.604 10.932 5.864 1.00 0.00 O ATOM 1749 CB MET A 106 -8.585 8.308 6.324 1.00 0.00 C ATOM 1750 CG MET A 106 -8.860 7.901 4.885 1.00 0.00 C ATOM 1751 SD MET A 106 -7.382 7.951 3.853 1.00 0.00 S ATOM 1752 CE MET A 106 -7.716 6.613 2.709 1.00 0.00 C ATOM 0 H MET A 106 -7.296 9.380 8.142 1.00 0.00 H new ATOM 0 HA MET A 106 -8.188 10.315 5.655 1.00 0.00 H new ATOM 0 HB2 MET A 106 -7.619 7.905 6.628 1.00 0.00 H new ATOM 0 HB3 MET A 106 -9.337 7.856 6.971 1.00 0.00 H new ATOM 0 HG2 MET A 106 -9.275 6.893 4.870 1.00 0.00 H new ATOM 0 HG3 MET A 106 -9.616 8.563 4.463 1.00 0.00 H new ATOM 0 HE1 MET A 106 -6.880 6.509 2.017 1.00 0.00 H new ATOM 0 HE2 MET A 106 -7.846 5.684 3.264 1.00 0.00 H new ATOM 0 HE3 MET A 106 -8.625 6.831 2.149 1.00 0.00 H new ATOM 1762 N PRO A 107 -10.608 10.071 7.954 1.00 0.00 N ATOM 1763 CA PRO A 107 -11.980 10.498 8.270 1.00 0.00 C ATOM 1764 C PRO A 107 -12.263 11.947 7.864 1.00 0.00 C ATOM 1765 O PRO A 107 -11.467 12.846 8.139 1.00 0.00 O ATOM 1766 CB PRO A 107 -12.048 10.344 9.788 1.00 0.00 C ATOM 1767 CG PRO A 107 -11.099 9.239 10.096 1.00 0.00 C ATOM 1768 CD PRO A 107 -9.989 9.344 9.085 1.00 0.00 C ATOM 0 HA PRO A 107 -12.722 9.912 7.728 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.760 11.266 10.293 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.059 10.102 10.117 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.711 9.331 11.111 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.595 8.271 10.030 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.132 9.885 9.487 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.631 8.360 8.780 1.00 0.00 H new ATOM 1776 N ASP A 108 -13.404 12.160 7.206 1.00 0.00 N ATOM 1777 CA ASP A 108 -13.801 13.495 6.756 1.00 0.00 C ATOM 1778 C ASP A 108 -14.159 14.402 7.941 1.00 0.00 C ATOM 1779 O ASP A 108 -14.095 13.981 9.099 1.00 0.00 O ATOM 1780 CB ASP A 108 -14.987 13.394 5.790 1.00 0.00 C ATOM 1781 CG ASP A 108 -14.873 14.358 4.623 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -14.204 14.008 3.627 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -15.454 15.460 4.707 1.00 0.00 O ATOM 0 H ASP A 108 -14.070 11.424 6.973 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.952 13.941 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -15.055 12.375 5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -15.911 13.594 6.333 1.00 0.00 H new TER 1788 ASP A 108