USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 703 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 87 LYS NZ :NH3+ -155:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= 1.07 USER MOD Single : A 2 SER OG : rot 29:sc= 0.0703 USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -0.0247 (180deg=-0.209) USER MOD Single : A 8 MET CE :methyl -151:sc= 0 (180deg=-0.951) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -19:sc= 0.377 USER MOD Single : A 55 LYS NZ :NH3+ -160:sc= 1.29 (180deg=0.936) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= -0.0323 (180deg=-0.326) USER MOD Single : A 60 LYS NZ :NH3+ -147:sc= 1.14 (180deg=0.464) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 2.29 (180deg=2.15) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 135:sc= -0.633 (180deg=-3.4!) USER MOD Single : A 75 LYS NZ :NH3+ 156:sc= 1.26 (180deg=0.921) USER MOD Single : A 81 SER OG : rot 22:sc= 0.681 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0643 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 91 LYS NZ :NH3+ 135:sc= 1.23 (180deg=0.998) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 161:sc= -0.0961 (180deg=-0.538) USER MOD Single : A 106 ASN : amide:sc= -1.36! C(o=-1.4!,f=-12!) USER MOD Single : A 110 HIS : no HD1:sc= 0.37 K(o=0.37,f=-2!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 114 MET CE :methyl 163:sc= -0.0428 (180deg=-0.4) USER MOD Single : A 115 SER OG : rot 88:sc= 1.22 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -2.98! K(o=-3!,f=-0.39) USER MOD Single : A 123 LYS NZ :NH3+ -159:sc= 0.186 (180deg=-0.339) USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -21.687 -5.302 0.383 1.00 0.00 N ATOM 21 CA SER A 2 -20.491 -5.006 -0.399 1.00 0.00 C ATOM 22 C SER A 2 -19.211 -5.192 0.413 1.00 0.00 C ATOM 23 O SER A 2 -18.432 -4.253 0.557 1.00 0.00 O ATOM 24 CB SER A 2 -20.549 -3.566 -0.935 1.00 0.00 C ATOM 25 OG SER A 2 -21.702 -3.351 -1.730 1.00 0.00 O ATOM 0 HA SER A 2 -20.469 -5.712 -1.229 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.547 -2.866 -0.100 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.656 -3.361 -1.525 1.00 0.00 H new ATOM 0 HG SER A 2 -22.424 -3.939 -1.425 1.00 0.00 H new ATOM 31 N ILE A 3 -18.975 -6.401 0.921 1.00 0.00 N ATOM 32 CA ILE A 3 -17.769 -6.671 1.713 1.00 0.00 C ATOM 33 C ILE A 3 -16.494 -6.328 0.940 1.00 0.00 C ATOM 34 O ILE A 3 -15.596 -5.679 1.478 1.00 0.00 O ATOM 35 CB ILE A 3 -17.693 -8.137 2.183 1.00 0.00 C ATOM 36 CG1 ILE A 3 -18.847 -8.444 3.143 1.00 0.00 C ATOM 37 CG2 ILE A 3 -16.344 -8.424 2.839 1.00 0.00 C ATOM 38 CD1 ILE A 3 -18.585 -9.623 4.053 1.00 0.00 C ATOM 0 H ILE A 3 -19.594 -7.203 0.802 1.00 0.00 H new ATOM 0 HA ILE A 3 -17.841 -6.028 2.590 1.00 0.00 H new ATOM 0 HB ILE A 3 -17.786 -8.788 1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -19.044 -7.563 3.753 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -19.749 -8.638 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -16.311 -9.464 3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -15.544 -8.243 2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -16.212 -7.771 3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -19.446 -9.779 4.703 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -18.418 -10.517 3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -17.702 -9.424 4.661 1.00 0.00 H new ATOM 50 N PHE A 4 -16.426 -6.736 -0.324 1.00 0.00 N ATOM 51 CA PHE A 4 -15.246 -6.470 -1.151 1.00 0.00 C ATOM 52 C PHE A 4 -15.022 -4.968 -1.349 1.00 0.00 C ATOM 53 O PHE A 4 -13.912 -4.535 -1.647 1.00 0.00 O ATOM 54 CB PHE A 4 -15.347 -7.186 -2.506 1.00 0.00 C ATOM 55 CG PHE A 4 -16.694 -7.088 -3.168 1.00 0.00 C ATOM 56 CD1 PHE A 4 -17.112 -5.909 -3.764 1.00 0.00 C ATOM 57 CD2 PHE A 4 -17.539 -8.187 -3.199 1.00 0.00 C ATOM 58 CE1 PHE A 4 -18.350 -5.825 -4.371 1.00 0.00 C ATOM 59 CE2 PHE A 4 -18.778 -8.110 -3.804 1.00 0.00 C ATOM 60 CZ PHE A 4 -19.184 -6.927 -4.392 1.00 0.00 C ATOM 0 H PHE A 4 -17.168 -7.250 -0.799 1.00 0.00 H new ATOM 0 HA PHE A 4 -14.382 -6.867 -0.618 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -14.596 -6.771 -3.178 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -15.102 -8.239 -2.365 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -16.463 -5.046 -3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -17.224 -9.115 -2.744 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -18.666 -4.899 -4.829 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -19.428 -8.972 -3.818 1.00 0.00 H new ATOM 0 HZ PHE A 4 -20.152 -6.864 -4.867 1.00 0.00 H new ATOM 70 N GLY A 5 -16.074 -4.178 -1.161 1.00 0.00 N ATOM 71 CA GLY A 5 -15.952 -2.737 -1.280 1.00 0.00 C ATOM 72 C GLY A 5 -15.589 -2.092 0.044 1.00 0.00 C ATOM 73 O GLY A 5 -15.183 -0.937 0.092 1.00 0.00 O ATOM 0 H GLY A 5 -17.010 -4.511 -0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.191 -2.497 -2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -16.892 -2.321 -1.641 1.00 0.00 H new ATOM 77 N LYS A 6 -15.728 -2.856 1.117 1.00 0.00 N ATOM 78 CA LYS A 6 -15.419 -2.371 2.457 1.00 0.00 C ATOM 79 C LYS A 6 -13.957 -2.647 2.793 1.00 0.00 C ATOM 80 O LYS A 6 -13.318 -1.891 3.526 1.00 0.00 O ATOM 81 CB LYS A 6 -16.333 -3.057 3.480 1.00 0.00 C ATOM 82 CG LYS A 6 -17.817 -2.882 3.184 1.00 0.00 C ATOM 83 CD LYS A 6 -18.670 -3.889 3.940 1.00 0.00 C ATOM 84 CE LYS A 6 -18.716 -3.590 5.437 1.00 0.00 C ATOM 85 NZ LYS A 6 -19.406 -2.306 5.743 1.00 0.00 N ATOM 0 H LYS A 6 -16.055 -3.822 1.087 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.588 -1.295 2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.099 -4.121 3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.119 -2.658 4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.124 -1.872 3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -17.989 -2.992 2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.683 -3.881 3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -18.272 -4.892 3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -19.227 -4.404 5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.699 -3.554 5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.606 -2.254 6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.796 -1.510 5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.299 -2.257 5.212 1.00 0.00 H new ATOM 99 N ILE A 7 -13.429 -3.735 2.240 1.00 0.00 N ATOM 100 CA ILE A 7 -12.049 -4.132 2.494 1.00 0.00 C ATOM 101 C ILE A 7 -11.077 -3.381 1.590 1.00 0.00 C ATOM 102 O ILE A 7 -9.937 -3.118 1.974 1.00 0.00 O ATOM 103 CB ILE A 7 -11.843 -5.652 2.297 1.00 0.00 C ATOM 104 CG1 ILE A 7 -12.229 -6.068 0.875 1.00 0.00 C ATOM 105 CG2 ILE A 7 -12.652 -6.436 3.322 1.00 0.00 C ATOM 106 CD1 ILE A 7 -11.922 -7.514 0.551 1.00 0.00 C ATOM 0 H ILE A 7 -13.937 -4.358 1.612 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.845 -3.878 3.534 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.787 -5.878 2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -13.296 -5.893 0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.704 -5.428 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.496 -7.504 3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.330 -6.162 4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -13.711 -6.204 3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -12.225 -7.729 -0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.852 -7.692 0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.468 -8.164 1.235 1.00 0.00 H new ATOM 118 N MET A 8 -11.533 -3.021 0.392 1.00 0.00 N ATOM 119 CA MET A 8 -10.662 -2.390 -0.595 1.00 0.00 C ATOM 120 C MET A 8 -10.273 -0.977 -0.169 1.00 0.00 C ATOM 121 O MET A 8 -9.280 -0.431 -0.648 1.00 0.00 O ATOM 122 CB MET A 8 -11.313 -2.393 -1.989 1.00 0.00 C ATOM 123 CG MET A 8 -12.594 -1.577 -2.113 1.00 0.00 C ATOM 124 SD MET A 8 -12.293 0.194 -2.291 1.00 0.00 S ATOM 125 CE MET A 8 -13.972 0.814 -2.360 1.00 0.00 C ATOM 0 H MET A 8 -12.496 -3.155 0.083 1.00 0.00 H new ATOM 0 HA MET A 8 -9.746 -2.978 -0.654 1.00 0.00 H new ATOM 0 HB2 MET A 8 -10.589 -2.014 -2.710 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.530 -3.424 -2.268 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.161 -1.931 -2.974 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.213 -1.747 -1.232 1.00 0.00 H new ATOM 0 HE1 MET A 8 -13.998 1.728 -2.953 1.00 0.00 H new ATOM 0 HE2 MET A 8 -14.618 0.065 -2.818 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.323 1.027 -1.350 1.00 0.00 H new ATOM 135 N SER A 9 -11.036 -0.402 0.753 1.00 0.00 N ATOM 136 CA SER A 9 -10.738 0.925 1.272 1.00 0.00 C ATOM 137 C SER A 9 -9.473 0.896 2.129 1.00 0.00 C ATOM 138 O SER A 9 -8.800 1.912 2.307 1.00 0.00 O ATOM 139 CB SER A 9 -11.920 1.442 2.095 1.00 0.00 C ATOM 140 OG SER A 9 -13.099 1.487 1.315 1.00 0.00 O ATOM 0 H SER A 9 -11.867 -0.836 1.156 1.00 0.00 H new ATOM 0 HA SER A 9 -10.569 1.597 0.431 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.076 0.797 2.959 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.694 2.438 2.477 1.00 0.00 H new ATOM 0 HG SER A 9 -13.841 1.819 1.863 1.00 0.00 H new ATOM 146 N ALA A 10 -9.154 -0.280 2.654 1.00 0.00 N ATOM 147 CA ALA A 10 -7.963 -0.451 3.469 1.00 0.00 C ATOM 148 C ALA A 10 -6.785 -0.908 2.615 1.00 0.00 C ATOM 149 O ALA A 10 -5.631 -0.693 2.971 1.00 0.00 O ATOM 150 CB ALA A 10 -8.231 -1.439 4.593 1.00 0.00 C ATOM 0 H ALA A 10 -9.705 -1.129 2.529 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.705 0.512 3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.330 -1.558 5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.041 -1.066 5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.514 -2.403 4.170 1.00 0.00 H new ATOM 156 N ILE A 11 -7.089 -1.531 1.481 1.00 0.00 N ATOM 157 CA ILE A 11 -6.056 -2.000 0.566 1.00 0.00 C ATOM 158 C ILE A 11 -5.638 -0.885 -0.386 1.00 0.00 C ATOM 159 O ILE A 11 -4.479 -0.483 -0.431 1.00 0.00 O ATOM 160 CB ILE A 11 -6.541 -3.205 -0.270 1.00 0.00 C ATOM 161 CG1 ILE A 11 -7.040 -4.333 0.638 1.00 0.00 C ATOM 162 CG2 ILE A 11 -5.418 -3.707 -1.166 1.00 0.00 C ATOM 163 CD1 ILE A 11 -7.570 -5.534 -0.122 1.00 0.00 C ATOM 0 H ILE A 11 -8.043 -1.723 1.174 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.207 -2.310 1.176 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.372 -2.877 -0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.225 -4.654 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.828 -3.946 1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.771 -4.556 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.105 -2.909 -1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.573 -4.016 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.906 -6.293 0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.407 -5.227 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.779 -5.946 -0.748 1.00 0.00 H new ATOM 175 N PHE A 12 -6.605 -0.364 -1.123 1.00 0.00 N ATOM 176 CA PHE A 12 -6.333 0.609 -2.171 1.00 0.00 C ATOM 177 C PHE A 12 -6.294 2.024 -1.610 1.00 0.00 C ATOM 178 O PHE A 12 -6.221 2.998 -2.357 1.00 0.00 O ATOM 179 CB PHE A 12 -7.392 0.497 -3.270 1.00 0.00 C ATOM 180 CG PHE A 12 -7.365 -0.824 -3.978 1.00 0.00 C ATOM 181 CD1 PHE A 12 -8.037 -1.924 -3.467 1.00 0.00 C ATOM 182 CD2 PHE A 12 -6.651 -0.966 -5.154 1.00 0.00 C ATOM 183 CE1 PHE A 12 -7.992 -3.140 -4.116 1.00 0.00 C ATOM 184 CE2 PHE A 12 -6.604 -2.178 -5.808 1.00 0.00 C ATOM 185 CZ PHE A 12 -7.274 -3.267 -5.288 1.00 0.00 C ATOM 0 H PHE A 12 -7.591 -0.600 -1.015 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.353 0.393 -2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.379 0.648 -2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.240 1.295 -3.996 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.601 -1.827 -2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.124 -0.117 -5.564 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.517 -3.991 -3.708 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.044 -2.276 -6.726 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.236 -4.218 -5.798 1.00 0.00 H new ATOM 195 N GLY A 13 -6.326 2.126 -0.289 1.00 0.00 N ATOM 196 CA GLY A 13 -6.285 3.421 0.353 1.00 0.00 C ATOM 197 C GLY A 13 -4.936 3.706 0.982 1.00 0.00 C ATOM 198 O GLY A 13 -4.775 4.696 1.698 1.00 0.00 O ATOM 0 H GLY A 13 -6.380 1.332 0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.513 4.195 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.059 3.469 1.119 1.00 0.00 H new ATOM 572 N SER A 46 -1.439 2.119 -9.149 1.00 0.00 N ATOM 573 CA SER A 46 -0.917 0.771 -9.078 1.00 0.00 C ATOM 574 C SER A 46 -0.734 0.359 -7.621 1.00 0.00 C ATOM 575 O SER A 46 0.135 0.872 -6.917 1.00 0.00 O ATOM 576 CB SER A 46 0.403 0.692 -9.844 1.00 0.00 C ATOM 577 OG SER A 46 1.193 1.848 -9.601 1.00 0.00 O ATOM 0 HA SER A 46 -1.624 0.080 -9.537 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.952 -0.200 -9.542 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.205 0.598 -10.912 1.00 0.00 H new ATOM 0 HG SER A 46 0.624 2.566 -9.252 1.00 0.00 H new ATOM 583 N ILE A 47 -1.579 -0.552 -7.176 1.00 0.00 N ATOM 584 CA ILE A 47 -1.561 -1.015 -5.798 1.00 0.00 C ATOM 585 C ILE A 47 -0.944 -2.400 -5.728 1.00 0.00 C ATOM 586 O ILE A 47 -1.122 -3.195 -6.638 1.00 0.00 O ATOM 587 CB ILE A 47 -3.000 -1.048 -5.222 1.00 0.00 C ATOM 588 CG1 ILE A 47 -3.580 0.369 -5.169 1.00 0.00 C ATOM 589 CG2 ILE A 47 -3.042 -1.699 -3.848 1.00 0.00 C ATOM 590 CD1 ILE A 47 -2.758 1.339 -4.347 1.00 0.00 C ATOM 0 H ILE A 47 -2.295 -0.991 -7.755 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.962 -0.325 -5.203 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.613 -1.656 -5.887 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.668 0.753 -6.185 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.588 0.323 -4.757 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.067 -1.703 -3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.678 -2.724 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.410 -1.137 -3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.234 2.320 -4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.691 0.980 -3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.756 1.417 -4.770 1.00 0.00 H new ATOM 602 N ASP A 48 -0.192 -2.680 -4.674 1.00 0.00 N ATOM 603 CA ASP A 48 0.333 -4.024 -4.461 1.00 0.00 C ATOM 604 C ASP A 48 -0.298 -4.617 -3.208 1.00 0.00 C ATOM 605 O ASP A 48 -0.086 -4.124 -2.101 1.00 0.00 O ATOM 606 CB ASP A 48 1.860 -4.020 -4.334 1.00 0.00 C ATOM 607 CG ASP A 48 2.461 -5.391 -4.590 1.00 0.00 C ATOM 608 OD1 ASP A 48 2.275 -6.301 -3.759 1.00 0.00 O ATOM 609 OD2 ASP A 48 3.134 -5.561 -5.629 1.00 0.00 O ATOM 0 H ASP A 48 0.068 -2.002 -3.957 1.00 0.00 H new ATOM 0 HA ASP A 48 0.079 -4.634 -5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.280 -3.304 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.139 -3.684 -3.335 1.00 0.00 H new ATOM 614 N VAL A 49 -1.077 -5.670 -3.393 1.00 0.00 N ATOM 615 CA VAL A 49 -1.895 -6.225 -2.317 1.00 0.00 C ATOM 616 C VAL A 49 -1.064 -7.052 -1.335 1.00 0.00 C ATOM 617 O VAL A 49 -1.435 -7.209 -0.166 1.00 0.00 O ATOM 618 CB VAL A 49 -3.032 -7.105 -2.888 1.00 0.00 C ATOM 619 CG1 VAL A 49 -3.980 -7.557 -1.790 1.00 0.00 C ATOM 620 CG2 VAL A 49 -3.798 -6.356 -3.962 1.00 0.00 C ATOM 0 H VAL A 49 -1.163 -6.163 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.322 -5.378 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.576 -7.990 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.769 -8.174 -2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.429 -8.138 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.423 -6.684 -1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.594 -6.991 -4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.232 -5.451 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.120 -6.086 -4.772 1.00 0.00 H new ATOM 630 N ALA A 50 0.074 -7.549 -1.809 1.00 0.00 N ATOM 631 CA ALA A 50 0.893 -8.482 -1.043 1.00 0.00 C ATOM 632 C ALA A 50 1.348 -7.906 0.303 1.00 0.00 C ATOM 633 O ALA A 50 1.015 -8.469 1.342 1.00 0.00 O ATOM 634 CB ALA A 50 2.089 -8.956 -1.858 1.00 0.00 C ATOM 0 H ALA A 50 0.452 -7.319 -2.728 1.00 0.00 H new ATOM 0 HA ALA A 50 0.258 -9.340 -0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.682 -9.650 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.739 -9.458 -2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.703 -8.099 -2.135 1.00 0.00 H new ATOM 640 N PRO A 51 2.093 -6.779 0.328 1.00 0.00 N ATOM 641 CA PRO A 51 2.625 -6.240 1.580 1.00 0.00 C ATOM 642 C PRO A 51 1.525 -5.738 2.506 1.00 0.00 C ATOM 643 O PRO A 51 1.634 -5.847 3.723 1.00 0.00 O ATOM 644 CB PRO A 51 3.519 -5.082 1.133 1.00 0.00 C ATOM 645 CG PRO A 51 2.988 -4.679 -0.196 1.00 0.00 C ATOM 646 CD PRO A 51 2.454 -5.933 -0.826 1.00 0.00 C ATOM 0 HA PRO A 51 3.156 -7.001 2.152 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.478 -4.255 1.842 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.562 -5.392 1.064 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.203 -3.930 -0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.771 -4.236 -0.811 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.590 -5.727 -1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.202 -6.414 -1.457 1.00 0.00 H new ATOM 654 N ILE A 52 0.455 -5.220 1.922 1.00 0.00 N ATOM 655 CA ILE A 52 -0.637 -4.651 2.693 1.00 0.00 C ATOM 656 C ILE A 52 -1.287 -5.716 3.568 1.00 0.00 C ATOM 657 O ILE A 52 -1.432 -5.536 4.775 1.00 0.00 O ATOM 658 CB ILE A 52 -1.695 -4.017 1.767 1.00 0.00 C ATOM 659 CG1 ILE A 52 -1.041 -2.944 0.892 1.00 0.00 C ATOM 660 CG2 ILE A 52 -2.836 -3.422 2.582 1.00 0.00 C ATOM 661 CD1 ILE A 52 -1.970 -2.343 -0.138 1.00 0.00 C ATOM 0 H ILE A 52 0.321 -5.183 0.912 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.223 -3.871 3.332 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.110 -4.793 1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.662 -2.148 1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.182 -3.379 0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.571 -2.980 1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.309 -4.207 3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.445 -2.653 3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.433 -1.592 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.330 -3.127 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.817 -1.876 0.364 1.00 0.00 H new ATOM 673 N LEU A 53 -1.638 -6.839 2.964 1.00 0.00 N ATOM 674 CA LEU A 53 -2.292 -7.916 3.692 1.00 0.00 C ATOM 675 C LEU A 53 -1.283 -8.753 4.465 1.00 0.00 C ATOM 676 O LEU A 53 -1.619 -9.343 5.490 1.00 0.00 O ATOM 677 CB LEU A 53 -3.098 -8.803 2.745 1.00 0.00 C ATOM 678 CG LEU A 53 -4.538 -8.353 2.492 1.00 0.00 C ATOM 679 CD1 LEU A 53 -4.585 -6.980 1.845 1.00 0.00 C ATOM 680 CD2 LEU A 53 -5.265 -9.368 1.630 1.00 0.00 C ATOM 0 H LEU A 53 -1.482 -7.029 1.974 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.976 -7.459 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.577 -8.852 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.117 -9.815 3.150 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.040 -8.284 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.623 -6.691 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.106 -6.252 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.060 -7.009 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.288 -9.034 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.751 -9.468 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.279 -10.333 2.137 1.00 0.00 H new ATOM 692 N ASP A 54 -0.048 -8.799 3.977 1.00 0.00 N ATOM 693 CA ASP A 54 1.015 -9.542 4.655 1.00 0.00 C ATOM 694 C ASP A 54 1.233 -8.983 6.055 1.00 0.00 C ATOM 695 O ASP A 54 1.397 -9.729 7.017 1.00 0.00 O ATOM 696 CB ASP A 54 2.319 -9.469 3.854 1.00 0.00 C ATOM 697 CG ASP A 54 3.401 -10.391 4.391 1.00 0.00 C ATOM 698 OD1 ASP A 54 3.444 -11.569 3.969 1.00 0.00 O ATOM 699 OD2 ASP A 54 4.228 -9.938 5.211 1.00 0.00 O ATOM 0 H ASP A 54 0.244 -8.333 3.118 1.00 0.00 H new ATOM 0 HA ASP A 54 0.712 -10.586 4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.115 -9.725 2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.687 -8.443 3.863 1.00 0.00 H new ATOM 704 N LYS A 55 1.207 -7.659 6.166 1.00 0.00 N ATOM 705 CA LYS A 55 1.394 -7.009 7.455 1.00 0.00 C ATOM 706 C LYS A 55 0.060 -6.883 8.181 1.00 0.00 C ATOM 707 O LYS A 55 0.019 -6.810 9.407 1.00 0.00 O ATOM 708 CB LYS A 55 2.035 -5.626 7.287 1.00 0.00 C ATOM 709 CG LYS A 55 3.145 -5.588 6.248 1.00 0.00 C ATOM 710 CD LYS A 55 4.204 -6.657 6.483 1.00 0.00 C ATOM 711 CE LYS A 55 4.980 -6.936 5.205 1.00 0.00 C ATOM 712 NZ LYS A 55 6.044 -7.953 5.402 1.00 0.00 N ATOM 0 H LYS A 55 1.059 -7.020 5.384 1.00 0.00 H new ATOM 0 HA LYS A 55 2.066 -7.627 8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.263 -4.909 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.437 -5.303 8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.714 -5.721 5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.617 -4.605 6.261 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.889 -6.332 7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.731 -7.574 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.292 -7.279 4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.428 -6.010 4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.747 -7.872 4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.508 -7.797 6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.623 -8.904 5.384 1.00 0.00 H new ATOM 726 N ALA A 56 -1.030 -6.879 7.415 1.00 0.00 N ATOM 727 CA ALA A 56 -2.372 -6.804 7.985 1.00 0.00 C ATOM 728 C ALA A 56 -2.670 -8.037 8.823 1.00 0.00 C ATOM 729 O ALA A 56 -3.441 -7.976 9.780 1.00 0.00 O ATOM 730 CB ALA A 56 -3.417 -6.648 6.893 1.00 0.00 C ATOM 0 H ALA A 56 -1.009 -6.927 6.396 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.413 -5.926 8.630 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.408 -6.594 7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.223 -5.734 6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.370 -7.504 6.220 1.00 0.00 H new ATOM 736 N VAL A 57 -2.049 -9.156 8.463 1.00 0.00 N ATOM 737 CA VAL A 57 -2.184 -10.386 9.232 1.00 0.00 C ATOM 738 C VAL A 57 -1.636 -10.169 10.636 1.00 0.00 C ATOM 739 O VAL A 57 -2.248 -10.548 11.637 1.00 0.00 O ATOM 740 CB VAL A 57 -1.424 -11.551 8.558 1.00 0.00 C ATOM 741 CG1 VAL A 57 -1.359 -12.767 9.468 1.00 0.00 C ATOM 742 CG2 VAL A 57 -2.071 -11.916 7.232 1.00 0.00 C ATOM 0 H VAL A 57 -1.447 -9.235 7.643 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.241 -10.647 9.279 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.404 -11.217 8.369 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.818 -13.569 8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.842 -12.504 10.391 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.370 -13.101 9.701 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.522 -12.738 6.773 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.104 -12.220 7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.052 -11.052 6.568 1.00 0.00 H new ATOM 752 N LYS A 58 -0.498 -9.503 10.685 1.00 0.00 N ATOM 753 CA LYS A 58 0.209 -9.260 11.927 1.00 0.00 C ATOM 754 C LYS A 58 -0.443 -8.113 12.690 1.00 0.00 C ATOM 755 O LYS A 58 -0.371 -8.049 13.917 1.00 0.00 O ATOM 756 CB LYS A 58 1.671 -8.946 11.611 1.00 0.00 C ATOM 757 CG LYS A 58 2.239 -9.857 10.537 1.00 0.00 C ATOM 758 CD LYS A 58 3.682 -9.526 10.212 1.00 0.00 C ATOM 759 CE LYS A 58 4.612 -9.882 11.364 1.00 0.00 C ATOM 760 NZ LYS A 58 4.626 -11.344 11.635 1.00 0.00 N ATOM 0 H LYS A 58 -0.037 -9.114 9.862 1.00 0.00 H new ATOM 0 HA LYS A 58 0.163 -10.147 12.559 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.755 -7.909 11.286 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.266 -9.045 12.519 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.171 -10.893 10.868 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.636 -9.771 9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.987 -10.067 9.317 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.770 -8.463 9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.623 -9.546 11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.298 -9.350 12.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.450 -11.580 12.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.755 -11.613 12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.682 -11.863 10.736 1.00 0.00 H new ATOM 774 N ALA A 59 -1.081 -7.214 11.950 1.00 0.00 N ATOM 775 CA ALA A 59 -1.806 -6.102 12.543 1.00 0.00 C ATOM 776 C ALA A 59 -3.126 -6.578 13.140 1.00 0.00 C ATOM 777 O ALA A 59 -3.644 -5.979 14.087 1.00 0.00 O ATOM 778 CB ALA A 59 -2.052 -5.016 11.508 1.00 0.00 C ATOM 0 H ALA A 59 -1.109 -7.236 10.931 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.198 -5.685 13.345 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.596 -4.191 11.968 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.097 -4.654 11.127 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.640 -5.424 10.685 1.00 0.00 H new ATOM 784 N LYS A 60 -3.677 -7.647 12.569 1.00 0.00 N ATOM 785 CA LYS A 60 -4.876 -8.270 13.112 1.00 0.00 C ATOM 786 C LYS A 60 -4.560 -8.883 14.467 1.00 0.00 C ATOM 787 O LYS A 60 -5.259 -8.651 15.451 1.00 0.00 O ATOM 788 CB LYS A 60 -5.393 -9.350 12.158 1.00 0.00 C ATOM 789 CG LYS A 60 -6.679 -10.021 12.619 1.00 0.00 C ATOM 790 CD LYS A 60 -7.925 -9.344 12.055 1.00 0.00 C ATOM 791 CE LYS A 60 -8.048 -7.895 12.497 1.00 0.00 C ATOM 792 NZ LYS A 60 -9.245 -7.234 11.912 1.00 0.00 N ATOM 0 H LYS A 60 -3.310 -8.098 11.731 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.649 -7.511 13.229 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.560 -8.904 11.177 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.622 -10.111 12.035 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.669 -11.068 12.314 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.723 -10.006 13.708 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.897 -9.388 10.966 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.810 -9.895 12.374 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.105 -7.851 13.585 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.152 -7.349 12.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.039 -6.229 11.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.490 -7.694 11.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.045 -7.317 12.572 1.00 0.00 H new ATOM 806 N GLY A 61 -3.509 -9.680 14.497 1.00 0.00 N ATOM 807 CA GLY A 61 -3.027 -10.224 15.751 1.00 0.00 C ATOM 808 C GLY A 61 -2.939 -11.731 15.729 1.00 0.00 C ATOM 809 O GLY A 61 -2.178 -12.333 16.489 1.00 0.00 O ATOM 0 H GLY A 61 -2.977 -9.963 13.674 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.043 -9.809 15.970 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.691 -9.913 16.558 1.00 0.00 H new ATOM 813 N GLU A 62 -3.711 -12.339 14.849 1.00 0.00 N ATOM 814 CA GLU A 62 -3.752 -13.787 14.733 1.00 0.00 C ATOM 815 C GLU A 62 -2.955 -14.240 13.515 1.00 0.00 C ATOM 816 O GLU A 62 -2.672 -13.439 12.624 1.00 0.00 O ATOM 817 CB GLU A 62 -5.206 -14.256 14.649 1.00 0.00 C ATOM 818 CG GLU A 62 -6.026 -13.523 13.597 1.00 0.00 C ATOM 819 CD GLU A 62 -7.511 -13.801 13.713 1.00 0.00 C ATOM 820 OE1 GLU A 62 -7.970 -14.838 13.190 1.00 0.00 O ATOM 821 OE2 GLU A 62 -8.228 -12.982 14.328 1.00 0.00 O ATOM 0 H GLU A 62 -4.324 -11.849 14.198 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.297 -14.235 15.616 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.222 -15.324 14.430 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.678 -14.123 15.622 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.853 -12.451 13.690 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.682 -13.816 12.605 1.00 0.00 H new ATOM 828 N LYS A 63 -2.584 -15.512 13.480 1.00 0.00 N ATOM 829 CA LYS A 63 -1.786 -16.032 12.379 1.00 0.00 C ATOM 830 C LYS A 63 -2.696 -16.414 11.220 1.00 0.00 C ATOM 831 O LYS A 63 -3.549 -17.290 11.353 1.00 0.00 O ATOM 832 CB LYS A 63 -0.965 -17.248 12.826 1.00 0.00 C ATOM 833 CG LYS A 63 0.485 -17.230 12.347 1.00 0.00 C ATOM 834 CD LYS A 63 0.596 -17.151 10.829 1.00 0.00 C ATOM 835 CE LYS A 63 -0.009 -18.370 10.152 1.00 0.00 C ATOM 836 NZ LYS A 63 0.140 -18.314 8.676 1.00 0.00 N ATOM 0 H LYS A 63 -2.821 -16.199 14.196 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.094 -15.254 12.055 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.976 -17.301 13.915 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.447 -18.154 12.458 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.001 -16.378 12.791 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.992 -18.128 12.699 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.092 -16.252 10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.645 -17.062 10.546 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.471 -19.272 10.531 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.066 -18.440 10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.208 -19.200 8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.410 -17.515 8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.143 -18.188 8.433 1.00 0.00 H new ATOM 850 N LEU A 64 -2.511 -15.752 10.089 1.00 0.00 N ATOM 851 CA LEU A 64 -3.367 -15.964 8.932 1.00 0.00 C ATOM 852 C LEU A 64 -2.541 -16.280 7.689 1.00 0.00 C ATOM 853 O LEU A 64 -1.319 -16.095 7.674 1.00 0.00 O ATOM 854 CB LEU A 64 -4.212 -14.713 8.670 1.00 0.00 C ATOM 855 CG LEU A 64 -5.023 -14.198 9.861 1.00 0.00 C ATOM 856 CD1 LEU A 64 -5.765 -12.924 9.490 1.00 0.00 C ATOM 857 CD2 LEU A 64 -5.993 -15.263 10.343 1.00 0.00 C ATOM 0 H LEU A 64 -1.774 -15.062 9.947 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.017 -16.812 9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.551 -13.915 8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.899 -14.926 7.851 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.335 -13.968 10.674 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.336 -12.572 10.349 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.048 -12.159 9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.444 -13.126 8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.562 -14.880 11.190 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.677 -15.525 9.535 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.437 -16.149 10.649 1.00 0.00 H new ATOM 869 N GLU A 65 -3.215 -16.777 6.665 1.00 0.00 N ATOM 870 CA GLU A 65 -2.615 -16.967 5.354 1.00 0.00 C ATOM 871 C GLU A 65 -3.616 -16.593 4.265 1.00 0.00 C ATOM 872 O GLU A 65 -4.315 -17.444 3.709 1.00 0.00 O ATOM 873 CB GLU A 65 -2.098 -18.402 5.153 1.00 0.00 C ATOM 874 CG GLU A 65 -2.908 -19.481 5.858 1.00 0.00 C ATOM 875 CD GLU A 65 -2.389 -19.778 7.254 1.00 0.00 C ATOM 876 OE1 GLU A 65 -1.213 -20.180 7.376 1.00 0.00 O ATOM 877 OE2 GLU A 65 -3.146 -19.619 8.230 1.00 0.00 O ATOM 0 H GLU A 65 -4.193 -17.060 6.719 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.749 -16.309 5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.082 -18.620 4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.068 -18.454 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.950 -19.166 5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.886 -20.394 5.264 1.00 0.00 H new ATOM 884 N TRP A 66 -3.670 -15.300 3.966 1.00 0.00 N ATOM 885 CA TRP A 66 -4.633 -14.752 3.012 1.00 0.00 C ATOM 886 C TRP A 66 -4.369 -15.257 1.594 1.00 0.00 C ATOM 887 O TRP A 66 -5.226 -15.152 0.712 1.00 0.00 O ATOM 888 CB TRP A 66 -4.587 -13.219 3.047 1.00 0.00 C ATOM 889 CG TRP A 66 -3.236 -12.634 2.733 1.00 0.00 C ATOM 890 CD1 TRP A 66 -2.206 -12.413 3.607 1.00 0.00 C ATOM 891 CD2 TRP A 66 -2.774 -12.185 1.453 1.00 0.00 C ATOM 892 NE1 TRP A 66 -1.137 -11.856 2.947 1.00 0.00 N ATOM 893 CE2 TRP A 66 -1.462 -11.708 1.623 1.00 0.00 C ATOM 894 CE3 TRP A 66 -3.344 -12.143 0.178 1.00 0.00 C ATOM 895 CZ2 TRP A 66 -0.714 -11.193 0.567 1.00 0.00 C ATOM 896 CZ3 TRP A 66 -2.601 -11.632 -0.869 1.00 0.00 C ATOM 897 CH2 TRP A 66 -1.297 -11.166 -0.669 1.00 0.00 C ATOM 0 H TRP A 66 -3.050 -14.602 4.376 1.00 0.00 H new ATOM 0 HA TRP A 66 -5.627 -15.091 3.303 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -5.314 -12.829 2.335 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.896 -12.880 4.036 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.230 -12.643 4.662 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -0.247 -11.595 3.372 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.349 -12.504 0.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.291 -10.828 0.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -3.034 -11.592 -1.858 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.740 -10.777 -1.508 1.00 0.00 H new ATOM 908 N ARG A 67 -3.185 -15.823 1.394 1.00 0.00 N ATOM 909 CA ARG A 67 -2.772 -16.320 0.090 1.00 0.00 C ATOM 910 C ARG A 67 -3.667 -17.466 -0.379 1.00 0.00 C ATOM 911 O ARG A 67 -3.881 -17.644 -1.577 1.00 0.00 O ATOM 912 CB ARG A 67 -1.316 -16.785 0.148 1.00 0.00 C ATOM 913 CG ARG A 67 -0.345 -15.680 0.523 1.00 0.00 C ATOM 914 CD ARG A 67 1.083 -16.190 0.574 1.00 0.00 C ATOM 915 NE ARG A 67 2.040 -15.112 0.825 1.00 0.00 N ATOM 916 CZ ARG A 67 3.358 -15.223 0.649 1.00 0.00 C ATOM 917 NH1 ARG A 67 3.882 -16.373 0.237 1.00 0.00 N ATOM 918 NH2 ARG A 67 4.140 -14.182 0.902 1.00 0.00 N ATOM 0 H ARG A 67 -2.488 -15.949 2.128 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.866 -15.505 -0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.230 -17.595 0.872 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.034 -17.193 -0.823 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.417 -14.869 -0.202 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.620 -15.266 1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.171 -16.943 1.357 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.327 -16.680 -0.369 1.00 0.00 H new ATOM 0 HE ARG A 67 1.676 -14.218 1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.276 -17.173 0.055 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.890 -16.455 0.103 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.733 -13.306 1.228 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.149 -14.258 0.770 1.00 0.00 H new ATOM 932 N THR A 68 -4.198 -18.232 0.566 1.00 0.00 N ATOM 933 CA THR A 68 -5.023 -19.379 0.219 1.00 0.00 C ATOM 934 C THR A 68 -6.390 -19.322 0.917 1.00 0.00 C ATOM 935 O THR A 68 -7.368 -19.895 0.435 1.00 0.00 O ATOM 936 CB THR A 68 -4.294 -20.705 0.557 1.00 0.00 C ATOM 937 OG1 THR A 68 -5.006 -21.823 0.013 1.00 0.00 O ATOM 938 CG2 THR A 68 -4.133 -20.883 2.061 1.00 0.00 C ATOM 0 H THR A 68 -4.073 -18.081 1.567 1.00 0.00 H new ATOM 0 HA THR A 68 -5.197 -19.344 -0.856 1.00 0.00 H new ATOM 0 HB THR A 68 -3.302 -20.657 0.108 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.532 -22.652 0.234 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.618 -21.822 2.263 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.550 -20.055 2.465 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.116 -20.899 2.533 1.00 0.00 H new ATOM 946 N SER A 69 -6.467 -18.601 2.029 1.00 0.00 N ATOM 947 CA SER A 69 -7.704 -18.521 2.792 1.00 0.00 C ATOM 948 C SER A 69 -8.403 -17.186 2.545 1.00 0.00 C ATOM 949 O SER A 69 -7.830 -16.118 2.780 1.00 0.00 O ATOM 950 CB SER A 69 -7.412 -18.690 4.282 1.00 0.00 C ATOM 951 OG SER A 69 -6.601 -19.830 4.519 1.00 0.00 O ATOM 0 H SER A 69 -5.691 -18.066 2.420 1.00 0.00 H new ATOM 0 HA SER A 69 -8.365 -19.324 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.911 -17.799 4.661 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.349 -18.786 4.830 1.00 0.00 H new ATOM 0 HG SER A 69 -6.428 -19.914 5.480 1.00 0.00 H new ATOM 957 N ILE A 70 -9.640 -17.250 2.068 1.00 0.00 N ATOM 958 CA ILE A 70 -10.403 -16.043 1.778 1.00 0.00 C ATOM 959 C ILE A 70 -10.940 -15.423 3.067 1.00 0.00 C ATOM 960 O ILE A 70 -11.073 -14.204 3.177 1.00 0.00 O ATOM 961 CB ILE A 70 -11.567 -16.325 0.794 1.00 0.00 C ATOM 962 CG1 ILE A 70 -12.246 -15.019 0.372 1.00 0.00 C ATOM 963 CG2 ILE A 70 -12.583 -17.277 1.409 1.00 0.00 C ATOM 964 CD1 ILE A 70 -11.309 -14.054 -0.318 1.00 0.00 C ATOM 0 H ILE A 70 -10.134 -18.121 1.875 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.725 -15.335 1.300 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.149 -16.801 -0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.076 -15.249 -0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -12.669 -14.536 1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -13.389 -17.458 0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.096 -18.221 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -12.993 -16.835 2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.854 -13.150 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.492 -13.796 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.905 -14.519 -1.217 1.00 0.00 H new ATOM 976 N VAL A 71 -11.214 -16.270 4.053 1.00 0.00 N ATOM 977 CA VAL A 71 -11.735 -15.814 5.335 1.00 0.00 C ATOM 978 C VAL A 71 -10.697 -14.962 6.062 1.00 0.00 C ATOM 979 O VAL A 71 -11.034 -13.991 6.744 1.00 0.00 O ATOM 980 CB VAL A 71 -12.139 -17.010 6.228 1.00 0.00 C ATOM 981 CG1 VAL A 71 -12.758 -16.531 7.534 1.00 0.00 C ATOM 982 CG2 VAL A 71 -13.100 -17.930 5.487 1.00 0.00 C ATOM 0 H VAL A 71 -11.083 -17.279 3.988 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.621 -15.211 5.137 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.237 -17.572 6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.033 -17.392 8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.037 -15.919 8.075 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.648 -15.939 7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.373 -18.766 6.131 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.997 -17.375 5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.619 -18.309 4.585 1.00 0.00 H new ATOM 992 N ASP A 72 -9.432 -15.319 5.877 1.00 0.00 N ATOM 993 CA ASP A 72 -8.324 -14.652 6.550 1.00 0.00 C ATOM 994 C ASP A 72 -8.209 -13.199 6.128 1.00 0.00 C ATOM 995 O ASP A 72 -8.163 -12.310 6.973 1.00 0.00 O ATOM 996 CB ASP A 72 -7.004 -15.378 6.278 1.00 0.00 C ATOM 997 CG ASP A 72 -6.913 -16.714 6.984 1.00 0.00 C ATOM 998 OD1 ASP A 72 -7.935 -17.180 7.532 1.00 0.00 O ATOM 999 OD2 ASP A 72 -5.820 -17.310 6.990 1.00 0.00 O ATOM 0 H ASP A 72 -9.146 -16.077 5.258 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.532 -14.682 7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.893 -15.531 5.205 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.175 -14.746 6.597 1.00 0.00 H new ATOM 1004 N LEU A 73 -8.180 -12.954 4.823 1.00 0.00 N ATOM 1005 CA LEU A 73 -8.031 -11.596 4.314 1.00 0.00 C ATOM 1006 C LEU A 73 -9.280 -10.772 4.608 1.00 0.00 C ATOM 1007 O LEU A 73 -9.192 -9.574 4.865 1.00 0.00 O ATOM 1008 CB LEU A 73 -7.700 -11.605 2.811 1.00 0.00 C ATOM 1009 CG LEU A 73 -8.709 -12.293 1.884 1.00 0.00 C ATOM 1010 CD1 LEU A 73 -9.783 -11.316 1.424 1.00 0.00 C ATOM 1011 CD2 LEU A 73 -7.990 -12.902 0.688 1.00 0.00 C ATOM 0 H LEU A 73 -8.257 -13.672 4.103 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.194 -11.125 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.586 -10.572 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.733 -12.090 2.679 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.200 -13.090 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.485 -11.830 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.316 -10.926 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.318 -10.492 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.716 -13.388 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.474 -12.117 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.265 -13.638 1.035 1.00 0.00 H new ATOM 1023 N MET A 74 -10.436 -11.426 4.600 1.00 0.00 N ATOM 1024 CA MET A 74 -11.696 -10.757 4.896 1.00 0.00 C ATOM 1025 C MET A 74 -11.643 -10.076 6.260 1.00 0.00 C ATOM 1026 O MET A 74 -11.897 -8.876 6.373 1.00 0.00 O ATOM 1027 CB MET A 74 -12.859 -11.755 4.846 1.00 0.00 C ATOM 1028 CG MET A 74 -14.196 -11.163 5.263 1.00 0.00 C ATOM 1029 SD MET A 74 -15.563 -12.323 5.076 1.00 0.00 S ATOM 1030 CE MET A 74 -14.997 -13.690 6.086 1.00 0.00 C ATOM 0 H MET A 74 -10.526 -12.420 4.391 1.00 0.00 H new ATOM 0 HA MET A 74 -11.859 -9.992 4.137 1.00 0.00 H new ATOM 0 HB2 MET A 74 -12.946 -12.146 3.832 1.00 0.00 H new ATOM 0 HB3 MET A 74 -12.628 -12.600 5.495 1.00 0.00 H new ATOM 0 HG2 MET A 74 -14.137 -10.842 6.303 1.00 0.00 H new ATOM 0 HG3 MET A 74 -14.396 -10.273 4.666 1.00 0.00 H new ATOM 0 HE1 MET A 74 -15.816 -14.043 6.713 1.00 0.00 H new ATOM 0 HE2 MET A 74 -14.657 -14.501 5.443 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.173 -13.359 6.718 1.00 0.00 H new ATOM 1040 N LYS A 75 -11.295 -10.835 7.291 1.00 0.00 N ATOM 1041 CA LYS A 75 -11.235 -10.287 8.637 1.00 0.00 C ATOM 1042 C LYS A 75 -10.033 -9.363 8.810 1.00 0.00 C ATOM 1043 O LYS A 75 -10.146 -8.312 9.444 1.00 0.00 O ATOM 1044 CB LYS A 75 -11.224 -11.407 9.686 1.00 0.00 C ATOM 1045 CG LYS A 75 -10.229 -12.517 9.404 1.00 0.00 C ATOM 1046 CD LYS A 75 -10.264 -13.580 10.488 1.00 0.00 C ATOM 1047 CE LYS A 75 -9.458 -14.802 10.089 1.00 0.00 C ATOM 1048 NZ LYS A 75 -9.387 -15.804 11.183 1.00 0.00 N ATOM 0 H LYS A 75 -11.052 -11.823 7.221 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.134 -9.689 8.790 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.000 -10.974 10.661 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.223 -11.838 9.750 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.452 -12.972 8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.225 -12.099 9.334 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.869 -13.168 11.417 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.297 -13.870 10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.906 -15.260 9.207 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.449 -14.496 9.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.206 -16.746 10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.617 -15.552 11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.289 -15.817 11.701 1.00 0.00 H new ATOM 1062 N ALA A 76 -8.906 -9.741 8.202 1.00 0.00 N ATOM 1063 CA ALA A 76 -7.650 -8.999 8.325 1.00 0.00 C ATOM 1064 C ALA A 76 -7.836 -7.506 8.072 1.00 0.00 C ATOM 1065 O ALA A 76 -7.360 -6.675 8.846 1.00 0.00 O ATOM 1066 CB ALA A 76 -6.615 -9.561 7.360 1.00 0.00 C ATOM 0 H ALA A 76 -8.839 -10.570 7.611 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.302 -9.118 9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.684 -9.002 7.459 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.435 -10.611 7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.984 -9.473 6.338 1.00 0.00 H new ATOM 1072 N LEU A 77 -8.542 -7.171 6.997 1.00 0.00 N ATOM 1073 CA LEU A 77 -8.720 -5.777 6.616 1.00 0.00 C ATOM 1074 C LEU A 77 -9.693 -5.047 7.538 1.00 0.00 C ATOM 1075 O LEU A 77 -9.290 -4.148 8.278 1.00 0.00 O ATOM 1076 CB LEU A 77 -9.193 -5.648 5.162 1.00 0.00 C ATOM 1077 CG LEU A 77 -8.101 -5.769 4.088 1.00 0.00 C ATOM 1078 CD1 LEU A 77 -6.939 -4.840 4.396 1.00 0.00 C ATOM 1079 CD2 LEU A 77 -7.615 -7.202 3.955 1.00 0.00 C ATOM 0 H LEU A 77 -8.997 -7.842 6.378 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.741 -5.307 6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.945 -6.414 4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.686 -4.683 5.045 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.539 -5.473 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.177 -4.942 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.294 -3.810 4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.511 -5.101 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.843 -7.255 3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.203 -7.536 4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.450 -7.845 3.675 1.00 0.00 H new ATOM 1091 N ASP A 78 -10.968 -5.429 7.507 1.00 0.00 N ATOM 1092 CA ASP A 78 -11.999 -4.631 8.175 1.00 0.00 C ATOM 1093 C ASP A 78 -13.156 -5.478 8.715 1.00 0.00 C ATOM 1094 O ASP A 78 -13.958 -5.000 9.521 1.00 0.00 O ATOM 1095 CB ASP A 78 -12.541 -3.595 7.174 1.00 0.00 C ATOM 1096 CG ASP A 78 -13.601 -2.679 7.758 1.00 0.00 C ATOM 1097 OD1 ASP A 78 -13.237 -1.615 8.306 1.00 0.00 O ATOM 1098 OD2 ASP A 78 -14.804 -3.005 7.657 1.00 0.00 O ATOM 0 H ASP A 78 -11.309 -6.268 7.038 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.538 -4.146 9.036 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.712 -2.989 6.807 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.959 -4.118 6.314 1.00 0.00 H new ATOM 1103 N ILE A 79 -13.230 -6.740 8.321 1.00 0.00 N ATOM 1104 CA ILE A 79 -14.456 -7.505 8.532 1.00 0.00 C ATOM 1105 C ILE A 79 -14.358 -8.383 9.779 1.00 0.00 C ATOM 1106 O ILE A 79 -13.275 -8.813 10.169 1.00 0.00 O ATOM 1107 CB ILE A 79 -14.800 -8.363 7.289 1.00 0.00 C ATOM 1108 CG1 ILE A 79 -14.778 -7.491 6.032 1.00 0.00 C ATOM 1109 CG2 ILE A 79 -16.171 -9.015 7.430 1.00 0.00 C ATOM 1110 CD1 ILE A 79 -15.796 -6.371 6.069 1.00 0.00 C ATOM 0 H ILE A 79 -12.475 -7.250 7.863 1.00 0.00 H new ATOM 0 HA ILE A 79 -15.263 -6.789 8.687 1.00 0.00 H new ATOM 0 HB ILE A 79 -14.051 -9.150 7.206 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -13.782 -7.065 5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -14.966 -8.117 5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -16.384 -9.610 6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -16.179 -9.659 8.309 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -16.932 -8.242 7.540 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -15.730 -5.789 5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -16.797 -6.792 6.161 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -15.595 -5.724 6.923 1.00 0.00 H new ATOM 1122 N ASP A 80 -15.506 -8.635 10.399 1.00 0.00 N ATOM 1123 CA ASP A 80 -15.574 -9.397 11.653 1.00 0.00 C ATOM 1124 C ASP A 80 -15.637 -10.904 11.397 1.00 0.00 C ATOM 1125 O ASP A 80 -15.708 -11.696 12.336 1.00 0.00 O ATOM 1126 CB ASP A 80 -16.798 -8.972 12.470 1.00 0.00 C ATOM 1127 CG ASP A 80 -16.729 -7.529 12.938 1.00 0.00 C ATOM 1128 OD1 ASP A 80 -16.155 -7.271 14.020 1.00 0.00 O ATOM 1129 OD2 ASP A 80 -17.262 -6.645 12.232 1.00 0.00 O ATOM 0 H ASP A 80 -16.413 -8.322 10.054 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.664 -9.180 12.212 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -17.696 -9.110 11.867 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -16.893 -9.625 13.337 1.00 0.00 H new ATOM 1134 N SER A 81 -15.614 -11.279 10.117 1.00 0.00 N ATOM 1135 CA SER A 81 -15.685 -12.678 9.670 1.00 0.00 C ATOM 1136 C SER A 81 -16.836 -13.455 10.324 1.00 0.00 C ATOM 1137 O SER A 81 -16.772 -14.677 10.453 1.00 0.00 O ATOM 1138 CB SER A 81 -14.339 -13.396 9.891 1.00 0.00 C ATOM 1139 OG SER A 81 -13.852 -13.232 11.212 1.00 0.00 O ATOM 0 H SER A 81 -15.545 -10.613 9.348 1.00 0.00 H new ATOM 0 HA SER A 81 -15.895 -12.653 8.601 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.458 -14.459 9.679 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.604 -13.010 9.185 1.00 0.00 H new ATOM 0 HG SER A 81 -14.596 -13.006 11.809 1.00 0.00 H new ATOM 1145 N SER A 82 -17.903 -12.751 10.689 1.00 0.00 N ATOM 1146 CA SER A 82 -19.058 -13.392 11.305 1.00 0.00 C ATOM 1147 C SER A 82 -19.941 -14.030 10.239 1.00 0.00 C ATOM 1148 O SER A 82 -19.710 -13.832 9.049 1.00 0.00 O ATOM 1149 CB SER A 82 -19.852 -12.371 12.133 1.00 0.00 C ATOM 1150 OG SER A 82 -20.895 -12.993 12.866 1.00 0.00 O ATOM 0 H SER A 82 -17.991 -11.742 10.569 1.00 0.00 H new ATOM 0 HA SER A 82 -18.709 -14.179 11.974 1.00 0.00 H new ATOM 0 HB2 SER A 82 -19.180 -11.857 12.820 1.00 0.00 H new ATOM 0 HB3 SER A 82 -20.273 -11.613 11.472 1.00 0.00 H new ATOM 0 HG SER A 82 -21.380 -12.316 13.383 1.00 0.00 H new ATOM 1156 N LEU A 83 -20.945 -14.793 10.666 1.00 0.00 N ATOM 1157 CA LEU A 83 -21.821 -15.514 9.743 1.00 0.00 C ATOM 1158 C LEU A 83 -22.465 -14.551 8.754 1.00 0.00 C ATOM 1159 O LEU A 83 -22.457 -14.807 7.555 1.00 0.00 O ATOM 1160 CB LEU A 83 -22.898 -16.297 10.517 1.00 0.00 C ATOM 1161 CG LEU A 83 -23.732 -17.309 9.704 1.00 0.00 C ATOM 1162 CD1 LEU A 83 -24.827 -16.618 8.905 1.00 0.00 C ATOM 1163 CD2 LEU A 83 -22.836 -18.124 8.781 1.00 0.00 C ATOM 0 H LEU A 83 -21.173 -14.929 11.651 1.00 0.00 H new ATOM 0 HA LEU A 83 -21.216 -16.227 9.183 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -22.411 -16.833 11.331 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -23.581 -15.579 10.971 1.00 0.00 H new ATOM 0 HG LEU A 83 -24.212 -17.983 10.413 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -25.394 -17.362 8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -25.495 -16.089 9.585 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -24.378 -15.907 8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -23.443 -18.832 8.216 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -22.321 -17.456 8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -22.102 -18.668 9.374 1.00 0.00 H new ATOM 1175 N SER A 84 -22.999 -13.446 9.261 1.00 0.00 N ATOM 1176 CA SER A 84 -23.651 -12.445 8.422 1.00 0.00 C ATOM 1177 C SER A 84 -22.721 -11.982 7.302 1.00 0.00 C ATOM 1178 O SER A 84 -23.140 -11.825 6.157 1.00 0.00 O ATOM 1179 CB SER A 84 -24.065 -11.252 9.282 1.00 0.00 C ATOM 1180 OG SER A 84 -24.643 -11.688 10.501 1.00 0.00 O ATOM 0 H SER A 84 -22.993 -13.219 10.255 1.00 0.00 H new ATOM 0 HA SER A 84 -24.534 -12.893 7.967 1.00 0.00 H new ATOM 0 HB2 SER A 84 -23.196 -10.628 9.489 1.00 0.00 H new ATOM 0 HB3 SER A 84 -24.778 -10.634 8.736 1.00 0.00 H new ATOM 0 HG SER A 84 -24.900 -10.910 11.038 1.00 0.00 H new ATOM 1186 N ALA A 85 -21.447 -11.811 7.643 1.00 0.00 N ATOM 1187 CA ALA A 85 -20.459 -11.316 6.699 1.00 0.00 C ATOM 1188 C ALA A 85 -20.213 -12.322 5.580 1.00 0.00 C ATOM 1189 O ALA A 85 -20.440 -12.028 4.409 1.00 0.00 O ATOM 1190 CB ALA A 85 -19.160 -10.994 7.421 1.00 0.00 C ATOM 0 H ALA A 85 -21.076 -12.010 8.572 1.00 0.00 H new ATOM 0 HA ALA A 85 -20.848 -10.403 6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -18.427 -10.624 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -19.344 -10.232 8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -18.777 -11.895 7.899 1.00 0.00 H new ATOM 1196 N ARG A 86 -19.771 -13.521 5.938 1.00 0.00 N ATOM 1197 CA ARG A 86 -19.470 -14.538 4.937 1.00 0.00 C ATOM 1198 C ARG A 86 -20.726 -14.982 4.185 1.00 0.00 C ATOM 1199 O ARG A 86 -20.636 -15.577 3.114 1.00 0.00 O ATOM 1200 CB ARG A 86 -18.758 -15.740 5.569 1.00 0.00 C ATOM 1201 CG ARG A 86 -19.325 -16.182 6.911 1.00 0.00 C ATOM 1202 CD ARG A 86 -18.528 -17.348 7.477 1.00 0.00 C ATOM 1203 NE ARG A 86 -18.804 -17.594 8.894 1.00 0.00 N ATOM 1204 CZ ARG A 86 -18.063 -18.401 9.658 1.00 0.00 C ATOM 1205 NH1 ARG A 86 -17.054 -19.081 9.131 1.00 0.00 N ATOM 1206 NH2 ARG A 86 -18.338 -18.544 10.947 1.00 0.00 N ATOM 0 H ARG A 86 -19.614 -13.812 6.903 1.00 0.00 H new ATOM 0 HA ARG A 86 -18.795 -14.086 4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.806 -16.579 4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -17.704 -15.494 5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.305 -15.348 7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -20.369 -16.473 6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -18.756 -18.248 6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -17.464 -17.150 7.349 1.00 0.00 H new ATOM 0 HE ARG A 86 -19.603 -17.125 9.320 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.841 -18.989 8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.491 -19.696 9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -19.120 -18.036 11.361 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.768 -19.162 11.525 1.00 0.00 H new ATOM 1220 N LYS A 87 -21.894 -14.677 4.740 1.00 0.00 N ATOM 1221 CA LYS A 87 -23.149 -15.004 4.086 1.00 0.00 C ATOM 1222 C LYS A 87 -23.457 -13.984 2.994 1.00 0.00 C ATOM 1223 O LYS A 87 -23.828 -14.358 1.879 1.00 0.00 O ATOM 1224 CB LYS A 87 -24.303 -15.053 5.097 1.00 0.00 C ATOM 1225 CG LYS A 87 -25.591 -15.615 4.518 1.00 0.00 C ATOM 1226 CD LYS A 87 -25.817 -17.073 4.915 1.00 0.00 C ATOM 1227 CE LYS A 87 -24.625 -17.965 4.587 1.00 0.00 C ATOM 1228 NZ LYS A 87 -24.945 -19.406 4.777 1.00 0.00 N ATOM 0 H LYS A 87 -21.995 -14.205 5.639 1.00 0.00 H new ATOM 0 HA LYS A 87 -23.046 -15.991 3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -24.002 -15.660 5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -24.491 -14.047 5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -26.433 -15.013 4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -25.563 -15.537 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -26.022 -17.126 5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -26.701 -17.452 4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -24.316 -17.794 3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -23.782 -17.693 5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -24.069 -19.934 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -25.594 -19.514 5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -25.396 -19.778 3.917 1.00 0.00 H new ATOM 1242 N GLU A 88 -23.286 -12.694 3.304 1.00 0.00 N ATOM 1243 CA GLU A 88 -23.587 -11.650 2.332 1.00 0.00 C ATOM 1244 C GLU A 88 -22.572 -11.674 1.197 1.00 0.00 C ATOM 1245 O GLU A 88 -22.944 -11.578 0.035 1.00 0.00 O ATOM 1246 CB GLU A 88 -23.646 -10.248 2.969 1.00 0.00 C ATOM 1247 CG GLU A 88 -22.323 -9.722 3.488 1.00 0.00 C ATOM 1248 CD GLU A 88 -22.321 -8.211 3.583 1.00 0.00 C ATOM 1249 OE1 GLU A 88 -22.858 -7.671 4.567 1.00 0.00 O ATOM 1250 OE2 GLU A 88 -21.831 -7.555 2.633 1.00 0.00 O ATOM 0 H GLU A 88 -22.947 -12.357 4.205 1.00 0.00 H new ATOM 0 HA GLU A 88 -24.579 -11.861 1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -24.034 -9.546 2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -24.359 -10.270 3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.122 -10.149 4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.518 -10.046 2.828 1.00 0.00 H new ATOM 1257 N LEU A 89 -21.299 -11.846 1.538 1.00 0.00 N ATOM 1258 CA LEU A 89 -20.232 -11.870 0.546 1.00 0.00 C ATOM 1259 C LEU A 89 -20.502 -12.938 -0.506 1.00 0.00 C ATOM 1260 O LEU A 89 -20.368 -12.693 -1.706 1.00 0.00 O ATOM 1261 CB LEU A 89 -18.888 -12.128 1.230 1.00 0.00 C ATOM 1262 CG LEU A 89 -17.677 -12.195 0.299 1.00 0.00 C ATOM 1263 CD1 LEU A 89 -17.521 -10.897 -0.477 1.00 0.00 C ATOM 1264 CD2 LEU A 89 -16.418 -12.493 1.100 1.00 0.00 C ATOM 0 H LEU A 89 -20.981 -11.971 2.499 1.00 0.00 H new ATOM 0 HA LEU A 89 -20.197 -10.900 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -18.717 -11.341 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -18.954 -13.067 1.779 1.00 0.00 H new ATOM 0 HG LEU A 89 -17.835 -13.000 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -16.653 -10.967 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -18.415 -10.721 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -17.383 -10.071 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.561 -12.539 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -16.260 -11.705 1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -16.530 -13.449 1.611 1.00 0.00 H new ATOM 1276 N ALA A 90 -20.918 -14.109 -0.048 1.00 0.00 N ATOM 1277 CA ALA A 90 -21.193 -15.220 -0.941 1.00 0.00 C ATOM 1278 C ALA A 90 -22.400 -14.939 -1.835 1.00 0.00 C ATOM 1279 O ALA A 90 -22.392 -15.287 -3.015 1.00 0.00 O ATOM 1280 CB ALA A 90 -21.404 -16.495 -0.142 1.00 0.00 C ATOM 0 H ALA A 90 -21.072 -14.313 0.939 1.00 0.00 H new ATOM 0 HA ALA A 90 -20.328 -15.349 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -21.609 -17.321 -0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -20.506 -16.715 0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -22.248 -16.364 0.535 1.00 0.00 H new ATOM 1286 N LYS A 91 -23.424 -14.289 -1.287 1.00 0.00 N ATOM 1287 CA LYS A 91 -24.661 -14.068 -2.036 1.00 0.00 C ATOM 1288 C LYS A 91 -24.520 -12.918 -3.033 1.00 0.00 C ATOM 1289 O LYS A 91 -25.279 -12.842 -4.000 1.00 0.00 O ATOM 1290 CB LYS A 91 -25.851 -13.821 -1.097 1.00 0.00 C ATOM 1291 CG LYS A 91 -25.816 -12.488 -0.367 1.00 0.00 C ATOM 1292 CD LYS A 91 -27.050 -12.306 0.502 1.00 0.00 C ATOM 1293 CE LYS A 91 -27.041 -10.979 1.247 1.00 0.00 C ATOM 1294 NZ LYS A 91 -27.115 -9.811 0.328 1.00 0.00 N ATOM 0 H LYS A 91 -23.424 -13.910 -0.340 1.00 0.00 H new ATOM 0 HA LYS A 91 -24.856 -14.980 -2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -26.772 -13.879 -1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -25.888 -14.623 -0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -24.920 -12.432 0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -25.754 -11.675 -1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -27.942 -12.364 -0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -27.109 -13.123 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -27.883 -10.948 1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -26.134 -10.909 1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -27.806 -9.125 0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -26.180 -9.360 0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -27.411 -10.131 -0.616 1.00 0.00 H new ATOM 1308 N GLU A 92 -23.560 -12.025 -2.806 1.00 0.00 N ATOM 1309 CA GLU A 92 -23.294 -10.956 -3.766 1.00 0.00 C ATOM 1310 C GLU A 92 -22.601 -11.535 -4.991 1.00 0.00 C ATOM 1311 O GLU A 92 -22.738 -11.025 -6.102 1.00 0.00 O ATOM 1312 CB GLU A 92 -22.405 -9.854 -3.171 1.00 0.00 C ATOM 1313 CG GLU A 92 -22.843 -9.324 -1.815 1.00 0.00 C ATOM 1314 CD GLU A 92 -24.293 -8.888 -1.757 1.00 0.00 C ATOM 1315 OE1 GLU A 92 -24.879 -8.567 -2.813 1.00 0.00 O ATOM 1316 OE2 GLU A 92 -24.854 -8.856 -0.639 1.00 0.00 O ATOM 0 H GLU A 92 -22.962 -12.018 -1.980 1.00 0.00 H new ATOM 0 HA GLU A 92 -24.252 -10.512 -4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -21.389 -10.239 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -22.369 -9.021 -3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -22.678 -10.097 -1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -22.210 -8.478 -1.546 1.00 0.00 H new ATOM 1323 N LEU A 93 -21.857 -12.607 -4.767 1.00 0.00 N ATOM 1324 CA LEU A 93 -21.079 -13.239 -5.819 1.00 0.00 C ATOM 1325 C LEU A 93 -21.885 -14.326 -6.525 1.00 0.00 C ATOM 1326 O LEU A 93 -21.830 -14.452 -7.750 1.00 0.00 O ATOM 1327 CB LEU A 93 -19.798 -13.828 -5.225 1.00 0.00 C ATOM 1328 CG LEU A 93 -18.904 -12.820 -4.502 1.00 0.00 C ATOM 1329 CD1 LEU A 93 -17.805 -13.539 -3.737 1.00 0.00 C ATOM 1330 CD2 LEU A 93 -18.315 -11.822 -5.491 1.00 0.00 C ATOM 0 H LEU A 93 -21.776 -13.060 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 93 -20.821 -12.483 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -20.069 -14.619 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -19.223 -14.293 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 93 -19.512 -12.267 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -17.177 -12.807 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -18.252 -14.208 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -17.197 -14.118 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -17.682 -11.113 -4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -17.720 -12.354 -6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -19.122 -11.285 -5.990 1.00 0.00 H new ATOM 1342 N GLY A 94 -22.622 -15.108 -5.752 1.00 0.00 N ATOM 1343 CA GLY A 94 -23.431 -16.164 -6.325 1.00 0.00 C ATOM 1344 C GLY A 94 -24.156 -16.964 -5.265 1.00 0.00 C ATOM 1345 O GLY A 94 -25.383 -16.895 -5.164 1.00 0.00 O ATOM 0 H GLY A 94 -22.675 -15.031 -4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -24.158 -15.731 -7.012 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -22.796 -16.830 -6.910 1.00 0.00 H new ATOM 1349 N TYR A 95 -23.388 -17.710 -4.463 1.00 0.00 N ATOM 1350 CA TYR A 95 -23.943 -18.573 -3.414 1.00 0.00 C ATOM 1351 C TYR A 95 -24.791 -19.677 -4.053 1.00 0.00 C ATOM 1352 O TYR A 95 -25.734 -20.189 -3.454 1.00 0.00 O ATOM 1353 CB TYR A 95 -24.774 -17.735 -2.422 1.00 0.00 C ATOM 1354 CG TYR A 95 -25.107 -18.433 -1.122 1.00 0.00 C ATOM 1355 CD1 TYR A 95 -24.116 -18.709 -0.189 1.00 0.00 C ATOM 1356 CD2 TYR A 95 -26.413 -18.806 -0.824 1.00 0.00 C ATOM 1357 CE1 TYR A 95 -24.416 -19.331 1.005 1.00 0.00 C ATOM 1358 CE2 TYR A 95 -26.722 -19.424 0.370 1.00 0.00 C ATOM 1359 CZ TYR A 95 -25.720 -19.690 1.278 1.00 0.00 C ATOM 1360 OH TYR A 95 -26.023 -20.301 2.471 1.00 0.00 O ATOM 0 H TYR A 95 -22.370 -17.733 -4.522 1.00 0.00 H new ATOM 0 HA TYR A 95 -23.130 -19.040 -2.858 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -24.228 -16.819 -2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -25.704 -17.440 -2.908 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -23.094 -18.432 -0.402 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -27.198 -18.609 -1.539 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -23.635 -19.536 1.722 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -27.743 -19.698 0.592 1.00 0.00 H new ATOM 0 HH TYR A 95 -26.984 -20.488 2.508 1.00 0.00 H new ATOM 1454 N ALA A 103 -15.335 -26.516 2.738 1.00 0.00 N ATOM 1455 CA ALA A 103 -14.189 -27.093 2.043 1.00 0.00 C ATOM 1456 C ALA A 103 -13.959 -26.426 0.689 1.00 0.00 C ATOM 1457 O ALA A 103 -12.899 -25.851 0.439 1.00 0.00 O ATOM 1458 CB ALA A 103 -14.400 -28.590 1.860 1.00 0.00 C ATOM 0 HA ALA A 103 -13.302 -26.920 2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -13.542 -29.018 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -14.507 -29.064 2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -15.302 -28.761 1.273 1.00 0.00 H new ATOM 1464 N SER A 104 -14.960 -26.490 -0.175 1.00 0.00 N ATOM 1465 CA SER A 104 -14.848 -25.905 -1.500 1.00 0.00 C ATOM 1466 C SER A 104 -15.261 -24.435 -1.483 1.00 0.00 C ATOM 1467 O SER A 104 -14.977 -23.689 -2.423 1.00 0.00 O ATOM 1468 CB SER A 104 -15.704 -26.689 -2.492 1.00 0.00 C ATOM 1469 OG SER A 104 -15.360 -28.068 -2.479 1.00 0.00 O ATOM 0 H SER A 104 -15.855 -26.939 0.017 1.00 0.00 H new ATOM 0 HA SER A 104 -13.806 -25.958 -1.814 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.758 -26.571 -2.242 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.567 -26.285 -3.495 1.00 0.00 H new ATOM 0 HG SER A 104 -15.922 -28.551 -3.120 1.00 0.00 H new ATOM 1475 N MET A 105 -15.912 -24.017 -0.398 1.00 0.00 N ATOM 1476 CA MET A 105 -16.390 -22.643 -0.276 1.00 0.00 C ATOM 1477 C MET A 105 -15.227 -21.671 -0.112 1.00 0.00 C ATOM 1478 O MET A 105 -15.296 -20.543 -0.581 1.00 0.00 O ATOM 1479 CB MET A 105 -17.354 -22.505 0.905 1.00 0.00 C ATOM 1480 CG MET A 105 -18.027 -21.141 0.990 1.00 0.00 C ATOM 1481 SD MET A 105 -19.127 -20.996 2.414 1.00 0.00 S ATOM 1482 CE MET A 105 -17.950 -21.108 3.757 1.00 0.00 C ATOM 0 H MET A 105 -16.119 -24.609 0.406 1.00 0.00 H new ATOM 0 HA MET A 105 -16.922 -22.396 -1.195 1.00 0.00 H new ATOM 0 HB2 MET A 105 -18.122 -23.275 0.828 1.00 0.00 H new ATOM 0 HB3 MET A 105 -16.809 -22.690 1.831 1.00 0.00 H new ATOM 0 HG2 MET A 105 -17.263 -20.366 1.046 1.00 0.00 H new ATOM 0 HG3 MET A 105 -18.595 -20.963 0.077 1.00 0.00 H new ATOM 0 HE1 MET A 105 -18.397 -20.707 4.667 1.00 0.00 H new ATOM 0 HE2 MET A 105 -17.677 -22.151 3.916 1.00 0.00 H new ATOM 0 HE3 MET A 105 -17.058 -20.534 3.508 1.00 0.00 H new ATOM 1492 N ASN A 106 -14.163 -22.107 0.559 1.00 0.00 N ATOM 1493 CA ASN A 106 -12.970 -21.275 0.713 1.00 0.00 C ATOM 1494 C ASN A 106 -12.333 -21.021 -0.647 1.00 0.00 C ATOM 1495 O ASN A 106 -11.878 -19.920 -0.938 1.00 0.00 O ATOM 1496 CB ASN A 106 -11.947 -21.942 1.641 1.00 0.00 C ATOM 1497 CG ASN A 106 -10.711 -21.084 1.868 1.00 0.00 C ATOM 1498 OD1 ASN A 106 -10.786 -19.856 1.927 1.00 0.00 O ATOM 1499 ND2 ASN A 106 -9.561 -21.728 1.982 1.00 0.00 N ATOM 0 H ASN A 106 -14.101 -23.024 1.002 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.275 -20.328 1.158 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.418 -22.154 2.601 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -11.646 -22.899 1.215 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.696 -21.206 2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.539 -22.746 1.928 1.00 0.00 H new ATOM 1506 N ILE A 107 -12.335 -22.052 -1.480 1.00 0.00 N ATOM 1507 CA ILE A 107 -11.709 -21.989 -2.793 1.00 0.00 C ATOM 1508 C ILE A 107 -12.491 -21.068 -3.728 1.00 0.00 C ATOM 1509 O ILE A 107 -11.955 -20.079 -4.227 1.00 0.00 O ATOM 1510 CB ILE A 107 -11.612 -23.395 -3.426 1.00 0.00 C ATOM 1511 CG1 ILE A 107 -10.931 -24.363 -2.453 1.00 0.00 C ATOM 1512 CG2 ILE A 107 -10.852 -23.332 -4.746 1.00 0.00 C ATOM 1513 CD1 ILE A 107 -10.943 -25.806 -2.914 1.00 0.00 C ATOM 0 H ILE A 107 -12.768 -22.951 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 107 -10.705 -21.589 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 107 -12.618 -23.760 -3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -9.898 -24.048 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -11.426 -24.297 -1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.792 -24.330 -5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -11.374 -22.668 -5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.846 -22.953 -4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -10.443 -26.429 -2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -11.973 -26.141 -3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -10.422 -25.888 -3.868 1.00 0.00 H new ATOM 1525 N TRP A 108 -13.764 -21.393 -3.940 1.00 0.00 N ATOM 1526 CA TRP A 108 -14.617 -20.644 -4.864 1.00 0.00 C ATOM 1527 C TRP A 108 -14.705 -19.166 -4.479 1.00 0.00 C ATOM 1528 O TRP A 108 -14.648 -18.279 -5.337 1.00 0.00 O ATOM 1529 CB TRP A 108 -16.022 -21.263 -4.893 1.00 0.00 C ATOM 1530 CG TRP A 108 -17.025 -20.442 -5.650 1.00 0.00 C ATOM 1531 CD1 TRP A 108 -17.232 -20.433 -6.999 1.00 0.00 C ATOM 1532 CD2 TRP A 108 -17.960 -19.508 -5.095 1.00 0.00 C ATOM 1533 NE1 TRP A 108 -18.228 -19.542 -7.318 1.00 0.00 N ATOM 1534 CE2 TRP A 108 -18.693 -18.963 -6.166 1.00 0.00 C ATOM 1535 CE3 TRP A 108 -18.242 -19.079 -3.796 1.00 0.00 C ATOM 1536 CZ2 TRP A 108 -19.691 -18.011 -5.973 1.00 0.00 C ATOM 1537 CZ3 TRP A 108 -19.231 -18.136 -3.605 1.00 0.00 C ATOM 1538 CH2 TRP A 108 -19.946 -17.610 -4.688 1.00 0.00 C ATOM 0 H TRP A 108 -14.232 -22.175 -3.482 1.00 0.00 H new ATOM 0 HA TRP A 108 -14.170 -20.703 -5.856 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -15.964 -22.255 -5.342 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -16.372 -21.396 -3.869 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -16.692 -21.038 -7.712 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -18.567 -19.344 -8.260 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -17.695 -19.479 -2.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -20.244 -17.603 -6.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -19.457 -17.798 -2.604 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -20.714 -16.873 -4.507 1.00 0.00 H new ATOM 1549 N LEU A 109 -14.839 -18.912 -3.187 1.00 0.00 N ATOM 1550 CA LEU A 109 -15.007 -17.556 -2.690 1.00 0.00 C ATOM 1551 C LEU A 109 -13.713 -16.764 -2.874 1.00 0.00 C ATOM 1552 O LEU A 109 -13.744 -15.579 -3.200 1.00 0.00 O ATOM 1553 CB LEU A 109 -15.411 -17.585 -1.213 1.00 0.00 C ATOM 1554 CG LEU A 109 -16.064 -16.309 -0.679 1.00 0.00 C ATOM 1555 CD1 LEU A 109 -17.420 -16.089 -1.334 1.00 0.00 C ATOM 1556 CD2 LEU A 109 -16.213 -16.381 0.832 1.00 0.00 C ATOM 0 H LEU A 109 -14.835 -19.629 -2.462 1.00 0.00 H new ATOM 0 HA LEU A 109 -15.797 -17.066 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.100 -18.415 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -14.523 -17.794 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 109 -15.420 -15.465 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -17.870 -15.177 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -17.292 -15.996 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -18.071 -16.936 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -16.679 -15.465 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -16.837 -17.235 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -15.230 -16.494 1.290 1.00 0.00 H new ATOM 1568 N HIS A 110 -12.576 -17.437 -2.695 1.00 0.00 N ATOM 1569 CA HIS A 110 -11.273 -16.789 -2.832 1.00 0.00 C ATOM 1570 C HIS A 110 -11.069 -16.313 -4.263 1.00 0.00 C ATOM 1571 O HIS A 110 -10.466 -15.266 -4.497 1.00 0.00 O ATOM 1572 CB HIS A 110 -10.139 -17.742 -2.433 1.00 0.00 C ATOM 1573 CG HIS A 110 -8.817 -17.056 -2.221 1.00 0.00 C ATOM 1574 ND1 HIS A 110 -7.881 -16.874 -3.219 1.00 0.00 N ATOM 1575 CD2 HIS A 110 -8.278 -16.505 -1.106 1.00 0.00 C ATOM 1576 CE1 HIS A 110 -6.829 -16.245 -2.727 1.00 0.00 C ATOM 1577 NE2 HIS A 110 -7.047 -16.007 -1.448 1.00 0.00 N ATOM 0 H HIS A 110 -12.532 -18.428 -2.456 1.00 0.00 H new ATOM 0 HA HIS A 110 -11.252 -15.930 -2.162 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -10.419 -18.262 -1.517 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -10.024 -18.500 -3.208 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -8.734 -16.465 -0.128 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -5.941 -15.972 -3.278 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -6.404 -15.530 -0.816 1.00 0.00 H new ATOM 1586 N LYS A 111 -11.578 -17.090 -5.212 1.00 0.00 N ATOM 1587 CA LYS A 111 -11.511 -16.720 -6.619 1.00 0.00 C ATOM 1588 C LYS A 111 -12.273 -15.417 -6.836 1.00 0.00 C ATOM 1589 O LYS A 111 -11.691 -14.385 -7.171 1.00 0.00 O ATOM 1590 CB LYS A 111 -12.138 -17.802 -7.513 1.00 0.00 C ATOM 1591 CG LYS A 111 -11.814 -19.235 -7.117 1.00 0.00 C ATOM 1592 CD LYS A 111 -10.351 -19.585 -7.326 1.00 0.00 C ATOM 1593 CE LYS A 111 -9.970 -19.594 -8.798 1.00 0.00 C ATOM 1594 NZ LYS A 111 -8.635 -20.209 -9.009 1.00 0.00 N ATOM 0 H LYS A 111 -12.042 -17.980 -5.032 1.00 0.00 H new ATOM 0 HA LYS A 111 -10.460 -16.606 -6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -13.221 -17.675 -7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -11.806 -17.641 -8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -12.073 -19.385 -6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -12.433 -19.917 -7.699 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.727 -18.866 -6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.148 -20.565 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.720 -20.145 -9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.967 -18.573 -9.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.405 -20.200 -10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -7.917 -19.668 -8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.647 -21.191 -8.666 1.00 0.00 H new ATOM 1608 N GLN A 112 -13.577 -15.482 -6.587 1.00 0.00 N ATOM 1609 CA GLN A 112 -14.498 -14.390 -6.897 1.00 0.00 C ATOM 1610 C GLN A 112 -14.101 -13.077 -6.221 1.00 0.00 C ATOM 1611 O GLN A 112 -13.979 -12.047 -6.885 1.00 0.00 O ATOM 1612 CB GLN A 112 -15.919 -14.771 -6.481 1.00 0.00 C ATOM 1613 CG GLN A 112 -16.856 -15.052 -7.647 1.00 0.00 C ATOM 1614 CD GLN A 112 -16.455 -16.257 -8.478 1.00 0.00 C ATOM 1615 OE1 GLN A 112 -16.693 -16.290 -9.684 1.00 0.00 O ATOM 1616 NE2 GLN A 112 -15.875 -17.267 -7.848 1.00 0.00 N ATOM 0 H GLN A 112 -14.027 -16.294 -6.164 1.00 0.00 H new ATOM 0 HA GLN A 112 -14.452 -14.230 -7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.875 -15.654 -5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -16.338 -13.965 -5.879 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -17.864 -15.207 -7.262 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -16.893 -14.174 -8.291 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -15.692 -17.206 -6.846 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.611 -18.106 -8.364 1.00 0.00 H new ATOM 1625 N VAL A 113 -13.898 -13.115 -4.908 1.00 0.00 N ATOM 1626 CA VAL A 113 -13.595 -11.908 -4.142 1.00 0.00 C ATOM 1627 C VAL A 113 -12.325 -11.233 -4.654 1.00 0.00 C ATOM 1628 O VAL A 113 -12.285 -10.012 -4.834 1.00 0.00 O ATOM 1629 CB VAL A 113 -13.437 -12.210 -2.635 1.00 0.00 C ATOM 1630 CG1 VAL A 113 -13.108 -10.941 -1.863 1.00 0.00 C ATOM 1631 CG2 VAL A 113 -14.701 -12.850 -2.083 1.00 0.00 C ATOM 0 H VAL A 113 -13.938 -13.968 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 113 -14.441 -11.234 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.611 -12.911 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -13.001 -11.177 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.175 -10.519 -2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -13.912 -10.217 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -14.571 -13.055 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -15.543 -12.171 -2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -14.897 -13.783 -2.611 1.00 0.00 H new ATOM 1641 N MET A 114 -11.301 -12.029 -4.931 1.00 0.00 N ATOM 1642 CA MET A 114 -10.022 -11.471 -5.337 1.00 0.00 C ATOM 1643 C MET A 114 -10.098 -10.980 -6.776 1.00 0.00 C ATOM 1644 O MET A 114 -9.396 -10.044 -7.159 1.00 0.00 O ATOM 1645 CB MET A 114 -8.896 -12.496 -5.189 1.00 0.00 C ATOM 1646 CG MET A 114 -7.512 -11.867 -5.240 1.00 0.00 C ATOM 1647 SD MET A 114 -6.182 -13.079 -5.182 1.00 0.00 S ATOM 1648 CE MET A 114 -6.364 -13.855 -6.782 1.00 0.00 C ATOM 0 H MET A 114 -11.330 -13.047 -4.883 1.00 0.00 H new ATOM 0 HA MET A 114 -9.799 -10.629 -4.682 1.00 0.00 H new ATOM 0 HB2 MET A 114 -9.015 -13.024 -4.243 1.00 0.00 H new ATOM 0 HB3 MET A 114 -8.981 -13.239 -5.982 1.00 0.00 H new ATOM 0 HG2 MET A 114 -7.420 -11.279 -6.153 1.00 0.00 H new ATOM 0 HG3 MET A 114 -7.403 -11.176 -4.404 1.00 0.00 H new ATOM 0 HE1 MET A 114 -5.454 -14.403 -7.026 1.00 0.00 H new ATOM 0 HE2 MET A 114 -7.208 -14.544 -6.758 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.541 -13.091 -7.539 1.00 0.00 H new ATOM 1658 N SER A 115 -10.979 -11.598 -7.559 1.00 0.00 N ATOM 1659 CA SER A 115 -11.172 -11.218 -8.953 1.00 0.00 C ATOM 1660 C SER A 115 -11.768 -9.812 -9.057 1.00 0.00 C ATOM 1661 O SER A 115 -11.718 -9.184 -10.112 1.00 0.00 O ATOM 1662 CB SER A 115 -12.070 -12.235 -9.665 1.00 0.00 C ATOM 1663 OG SER A 115 -11.494 -13.533 -9.626 1.00 0.00 O ATOM 0 H SER A 115 -11.572 -12.367 -7.248 1.00 0.00 H new ATOM 0 HA SER A 115 -10.198 -11.211 -9.442 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.052 -12.254 -9.192 1.00 0.00 H new ATOM 0 HB3 SER A 115 -12.221 -11.931 -10.701 1.00 0.00 H new ATOM 0 HG SER A 115 -11.768 -13.988 -8.802 1.00 0.00 H new ATOM 1669 N LYS A 116 -12.339 -9.325 -7.962 1.00 0.00 N ATOM 1670 CA LYS A 116 -12.789 -7.950 -7.903 1.00 0.00 C ATOM 1671 C LYS A 116 -11.617 -7.075 -7.478 1.00 0.00 C ATOM 1672 O LYS A 116 -11.197 -6.183 -8.208 1.00 0.00 O ATOM 1673 CB LYS A 116 -13.946 -7.790 -6.909 1.00 0.00 C ATOM 1674 CG LYS A 116 -15.053 -8.824 -7.055 1.00 0.00 C ATOM 1675 CD LYS A 116 -15.635 -8.850 -8.460 1.00 0.00 C ATOM 1676 CE LYS A 116 -16.788 -9.836 -8.553 1.00 0.00 C ATOM 1677 NZ LYS A 116 -17.243 -10.036 -9.952 1.00 0.00 N ATOM 0 H LYS A 116 -12.498 -9.863 -7.110 1.00 0.00 H new ATOM 0 HA LYS A 116 -13.151 -7.650 -8.886 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -13.548 -7.844 -5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -14.377 -6.796 -7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -14.661 -9.811 -6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -15.846 -8.608 -6.339 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -15.981 -7.853 -8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -14.859 -9.124 -9.174 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -16.480 -10.793 -8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -17.621 -9.476 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -18.030 -10.716 -9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -17.562 -9.128 -10.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -16.456 -10.405 -10.524 1.00 0.00 H new ATOM 1691 N LEU A 117 -11.062 -7.403 -6.313 1.00 0.00 N ATOM 1692 CA LEU A 117 -9.970 -6.646 -5.701 1.00 0.00 C ATOM 1693 C LEU A 117 -8.843 -6.350 -6.690 1.00 0.00 C ATOM 1694 O LEU A 117 -8.587 -5.194 -7.011 1.00 0.00 O ATOM 1695 CB LEU A 117 -9.409 -7.415 -4.504 1.00 0.00 C ATOM 1696 CG LEU A 117 -10.333 -7.503 -3.290 1.00 0.00 C ATOM 1697 CD1 LEU A 117 -9.694 -8.353 -2.202 1.00 0.00 C ATOM 1698 CD2 LEU A 117 -10.655 -6.105 -2.774 1.00 0.00 C ATOM 0 H LEU A 117 -11.359 -8.208 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.383 -5.692 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -9.163 -8.427 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -8.476 -6.943 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 117 -11.267 -7.980 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -10.363 -8.407 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.512 -9.357 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.748 -7.904 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -11.314 -6.179 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.732 -5.602 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -11.150 -5.532 -3.559 1.00 0.00 H new ATOM 1710 N VAL A 118 -8.196 -7.392 -7.202 1.00 0.00 N ATOM 1711 CA VAL A 118 -7.016 -7.199 -8.043 1.00 0.00 C ATOM 1712 C VAL A 118 -7.384 -6.561 -9.378 1.00 0.00 C ATOM 1713 O VAL A 118 -6.527 -6.027 -10.079 1.00 0.00 O ATOM 1714 CB VAL A 118 -6.246 -8.514 -8.289 1.00 0.00 C ATOM 1715 CG1 VAL A 118 -5.790 -9.116 -6.970 1.00 0.00 C ATOM 1716 CG2 VAL A 118 -7.087 -9.508 -9.076 1.00 0.00 C ATOM 0 H VAL A 118 -8.462 -8.365 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.360 -6.524 -7.494 1.00 0.00 H new ATOM 0 HB VAL A 118 -5.365 -8.282 -8.887 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -5.249 -10.043 -7.161 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -5.135 -8.412 -6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.659 -9.325 -6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -6.517 -10.423 -9.233 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.995 -9.737 -8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -7.352 -9.076 -10.041 1.00 0.00 H new ATOM 1726 N ALA A 119 -8.667 -6.593 -9.713 1.00 0.00 N ATOM 1727 CA ALA A 119 -9.150 -5.960 -10.930 1.00 0.00 C ATOM 1728 C ALA A 119 -9.260 -4.453 -10.742 1.00 0.00 C ATOM 1729 O ALA A 119 -9.382 -3.707 -11.712 1.00 0.00 O ATOM 1730 CB ALA A 119 -10.489 -6.544 -11.347 1.00 0.00 C ATOM 0 H ALA A 119 -9.391 -7.051 -9.159 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.430 -6.157 -11.724 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.831 -6.055 -12.259 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -10.379 -7.613 -11.527 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.219 -6.383 -10.554 1.00 0.00 H new ATOM 1736 N ASN A 120 -9.213 -4.007 -9.488 1.00 0.00 N ATOM 1737 CA ASN A 120 -9.252 -2.577 -9.186 1.00 0.00 C ATOM 1738 C ASN A 120 -7.870 -1.952 -9.371 1.00 0.00 C ATOM 1739 O ASN A 120 -7.708 -0.739 -9.246 1.00 0.00 O ATOM 1740 CB ASN A 120 -9.735 -2.320 -7.749 1.00 0.00 C ATOM 1741 CG ASN A 120 -11.213 -2.608 -7.525 1.00 0.00 C ATOM 1742 OD1 ASN A 120 -11.873 -1.943 -6.728 1.00 0.00 O ATOM 1743 ND2 ASN A 120 -11.734 -3.614 -8.206 1.00 0.00 N ATOM 0 H ASN A 120 -9.148 -4.611 -8.669 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.957 -2.118 -9.879 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -9.149 -2.935 -7.066 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -9.536 -1.280 -7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -12.715 -3.862 -8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -11.155 -4.143 -8.858 1.00 0.00 H new ATOM 1750 N GLY A 121 -6.876 -2.786 -9.666 1.00 0.00 N ATOM 1751 CA GLY A 121 -5.523 -2.293 -9.853 1.00 0.00 C ATOM 1752 C GLY A 121 -4.562 -2.829 -8.813 1.00 0.00 C ATOM 1753 O GLY A 121 -3.532 -2.215 -8.530 1.00 0.00 O ATOM 0 H GLY A 121 -6.984 -3.794 -9.779 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.172 -2.573 -10.846 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.528 -1.204 -9.812 1.00 0.00 H new ATOM 1757 N GLY A 122 -4.907 -3.972 -8.237 1.00 0.00 N ATOM 1758 CA GLY A 122 -4.060 -4.594 -7.245 1.00 0.00 C ATOM 1759 C GLY A 122 -3.128 -5.633 -7.843 1.00 0.00 C ATOM 1760 O GLY A 122 -3.568 -6.558 -8.526 1.00 0.00 O ATOM 0 H GLY A 122 -5.766 -4.482 -8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.470 -3.827 -6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -4.683 -5.065 -6.484 1.00 0.00 H new ATOM 1764 N LYS A 123 -1.843 -5.465 -7.587 1.00 0.00 N ATOM 1765 CA LYS A 123 -0.817 -6.377 -8.068 1.00 0.00 C ATOM 1766 C LYS A 123 -0.555 -7.447 -7.012 1.00 0.00 C ATOM 1767 O LYS A 123 -0.596 -7.165 -5.811 1.00 0.00 O ATOM 1768 CB LYS A 123 0.463 -5.569 -8.371 1.00 0.00 C ATOM 1769 CG LYS A 123 1.534 -6.308 -9.170 1.00 0.00 C ATOM 1770 CD LYS A 123 2.330 -7.266 -8.303 1.00 0.00 C ATOM 1771 CE LYS A 123 3.380 -8.012 -9.104 1.00 0.00 C ATOM 1772 NZ LYS A 123 4.032 -9.075 -8.296 1.00 0.00 N ATOM 0 H LYS A 123 -1.478 -4.688 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 123 -1.144 -6.874 -8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 123 0.182 -4.669 -8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 123 0.899 -5.244 -7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 123 1.063 -6.861 -9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 123 2.210 -5.585 -9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 123 2.813 -6.712 -7.498 1.00 0.00 H new ATOM 0 HD3 LYS A 123 1.653 -7.981 -7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 123 2.918 -8.456 -9.986 1.00 0.00 H new ATOM 0 HE3 LYS A 123 4.134 -7.310 -9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 4.951 -9.318 -8.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 4.178 -8.733 -7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 3.425 -9.919 -8.278 1.00 0.00 H new ATOM 1786 N LEU A 124 -0.306 -8.669 -7.457 1.00 0.00 N ATOM 1787 CA LEU A 124 0.023 -9.756 -6.551 1.00 0.00 C ATOM 1788 C LEU A 124 1.220 -10.547 -7.073 1.00 0.00 C ATOM 1789 O LEU A 124 1.482 -10.581 -8.277 1.00 0.00 O ATOM 1790 CB LEU A 124 -1.191 -10.689 -6.269 1.00 0.00 C ATOM 1791 CG LEU A 124 -1.975 -11.307 -7.462 1.00 0.00 C ATOM 1792 CD1 LEU A 124 -2.675 -10.248 -8.304 1.00 0.00 C ATOM 1793 CD2 LEU A 124 -1.094 -12.194 -8.337 1.00 0.00 C ATOM 0 H LEU A 124 -0.326 -8.932 -8.442 1.00 0.00 H new ATOM 0 HA LEU A 124 0.294 -9.306 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.833 -11.513 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.903 -10.125 -5.667 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.744 -11.939 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -3.208 -10.729 -9.124 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -3.383 -9.699 -7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.935 -9.557 -8.708 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -1.687 -12.602 -9.156 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.273 -11.604 -8.743 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.692 -13.011 -7.738 1.00 0.00 H new ATOM 1805 N PRO A 125 2.001 -11.139 -6.165 1.00 0.00 N ATOM 1806 CA PRO A 125 3.081 -12.047 -6.531 1.00 0.00 C ATOM 1807 C PRO A 125 2.535 -13.419 -6.909 1.00 0.00 C ATOM 1808 O PRO A 125 1.391 -13.741 -6.585 1.00 0.00 O ATOM 1809 CB PRO A 125 3.915 -12.128 -5.250 1.00 0.00 C ATOM 1810 CG PRO A 125 2.934 -11.902 -4.155 1.00 0.00 C ATOM 1811 CD PRO A 125 1.905 -10.952 -4.709 1.00 0.00 C ATOM 0 HA PRO A 125 3.651 -11.707 -7.395 1.00 0.00 H new ATOM 0 HB2 PRO A 125 4.402 -13.099 -5.153 1.00 0.00 H new ATOM 0 HB3 PRO A 125 4.702 -11.374 -5.240 1.00 0.00 H new ATOM 0 HG2 PRO A 125 2.473 -12.840 -3.845 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.421 -11.480 -3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.906 -11.186 -4.341 1.00 0.00 H new ATOM 0 HD3 PRO A 125 2.117 -9.922 -4.423 1.00 0.00 H new ATOM 1819 N PRO A 126 3.344 -14.254 -7.581 1.00 0.00 N ATOM 1820 CA PRO A 126 2.928 -15.605 -8.003 1.00 0.00 C ATOM 1821 C PRO A 126 2.659 -16.541 -6.821 1.00 0.00 C ATOM 1822 O PRO A 126 2.422 -17.733 -7.001 1.00 0.00 O ATOM 1823 CB PRO A 126 4.119 -16.114 -8.825 1.00 0.00 C ATOM 1824 CG PRO A 126 4.924 -14.902 -9.152 1.00 0.00 C ATOM 1825 CD PRO A 126 4.719 -13.953 -8.012 1.00 0.00 C ATOM 0 HA PRO A 126 1.990 -15.576 -8.558 1.00 0.00 H new ATOM 0 HB2 PRO A 126 4.708 -16.835 -8.258 1.00 0.00 H new ATOM 0 HB3 PRO A 126 3.784 -16.619 -9.731 1.00 0.00 H new ATOM 0 HG2 PRO A 126 5.979 -15.153 -9.267 1.00 0.00 H new ATOM 0 HG3 PRO A 126 4.598 -14.459 -10.093 1.00 0.00 H new ATOM 0 HD2 PRO A 126 5.440 -14.120 -7.212 1.00 0.00 H new ATOM 0 HD3 PRO A 126 4.827 -12.915 -8.326 1.00 0.00 H new