USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 869 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 65 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0139 (180deg=-0.206) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0946 (180deg=0) USER MOD Single : A 8 SER OG : rot -129:sc= 0.889 USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.13) USER MOD Single : A 15 SER OG : rot -80:sc= 0 USER MOD Single : A 16 MET CE :methyl 141:sc= -0.299 (180deg=-0.524) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc=-0.00621 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 50:sc= -0.0397 USER MOD Single : A 34 SER OG : rot 48:sc= 0.0702 USER MOD Single : A 36 ASN : amide:sc= 0.984 K(o=0.98,f=-0.015) USER MOD Single : A 42 ASN : amide:sc= -0.395 K(o=-0.39,f=-3.4!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0579 X(o=-0.058,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.081) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 68:sc= 0.462 USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.15) USER MOD Single : A 69 SER OG : rot -144:sc= -0.306 USER MOD Single : A 70 ASN : amide:sc= 0.289 K(o=0.29,f=-4!) USER MOD Single : A 74 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.018) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -124:sc= 0.188 (180deg=-0.0545) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 1.12 K(o=1.1,f=-0.0046) USER MOD Single : A 102 SER OG : rot -35:sc= 0.0778 USER MOD Single : A 110 THR OG1 : rot -39:sc= 0.729 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.570 -2.940 12.541 1.00 0.00 N ATOM 2 CA MET A 1 12.015 -3.580 11.339 1.00 0.00 C ATOM 3 C MET A 1 10.817 -2.777 10.863 1.00 0.00 C ATOM 4 O MET A 1 10.122 -2.172 11.681 1.00 0.00 O ATOM 5 CB MET A 1 11.662 -5.058 11.591 1.00 0.00 C ATOM 6 CG MET A 1 10.306 -5.303 12.265 1.00 0.00 C ATOM 7 SD MET A 1 9.885 -7.046 12.522 1.00 0.00 S ATOM 8 CE MET A 1 11.170 -7.549 13.701 1.00 0.00 C ATOM 0 H1 MET A 1 12.741 -3.661 13.271 1.00 0.00 H new ATOM 0 H2 MET A 1 13.466 -2.470 12.302 1.00 0.00 H new ATOM 0 H3 MET A 1 11.895 -2.236 12.902 1.00 0.00 H new ATOM 0 HA MET A 1 12.770 -3.585 10.553 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.675 -5.585 10.637 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.442 -5.500 12.211 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.300 -4.797 13.230 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.527 -4.842 11.658 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.921 -8.526 14.116 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.131 -7.606 13.190 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.231 -6.817 14.507 1.00 0.00 H new ATOM 18 N ALA A 2 10.551 -2.770 9.562 1.00 0.00 N ATOM 19 CA ALA A 2 9.266 -2.381 9.008 1.00 0.00 C ATOM 20 C ALA A 2 9.093 -3.073 7.666 1.00 0.00 C ATOM 21 O ALA A 2 9.977 -3.037 6.816 1.00 0.00 O ATOM 22 CB ALA A 2 9.106 -0.857 8.883 1.00 0.00 C ATOM 0 H ALA A 2 11.234 -3.039 8.854 1.00 0.00 H new ATOM 0 HA ALA A 2 8.481 -2.697 9.695 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.127 -0.627 8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.195 -0.400 9.868 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.883 -0.462 8.228 1.00 0.00 H new ATOM 28 N ARG A 3 7.962 -3.735 7.482 1.00 0.00 N ATOM 29 CA ARG A 3 7.462 -4.181 6.209 1.00 0.00 C ATOM 30 C ARG A 3 6.436 -3.201 5.693 1.00 0.00 C ATOM 31 O ARG A 3 5.323 -3.128 6.218 1.00 0.00 O ATOM 32 CB ARG A 3 6.900 -5.575 6.379 1.00 0.00 C ATOM 33 CG ARG A 3 8.089 -6.500 6.671 1.00 0.00 C ATOM 34 CD ARG A 3 7.909 -7.836 5.991 1.00 0.00 C ATOM 35 NE ARG A 3 8.973 -8.782 6.343 1.00 0.00 N ATOM 36 CZ ARG A 3 8.954 -10.093 6.094 1.00 0.00 C ATOM 37 NH1 ARG A 3 7.847 -10.638 5.596 1.00 0.00 N ATOM 38 NH2 ARG A 3 10.026 -10.836 6.353 1.00 0.00 N ATOM 0 H ARG A 3 7.346 -3.983 8.256 1.00 0.00 H new ATOM 0 HA ARG A 3 8.259 -4.224 5.467 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.178 -5.604 7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.375 -5.893 5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.012 -6.033 6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.187 -6.645 7.747 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.943 -8.257 6.270 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.894 -7.693 4.910 1.00 0.00 H new ATOM 0 HE ARG A 3 9.795 -8.407 6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.031 -10.055 5.411 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.815 -11.638 5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.864 -10.404 6.742 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.010 -11.838 6.162 1.00 0.00 H new ATOM 52 N VAL A 4 6.809 -2.377 4.733 1.00 0.00 N ATOM 53 CA VAL A 4 5.846 -1.525 4.056 1.00 0.00 C ATOM 54 C VAL A 4 5.175 -2.348 2.965 1.00 0.00 C ATOM 55 O VAL A 4 5.772 -3.323 2.514 1.00 0.00 O ATOM 56 CB VAL A 4 6.592 -0.248 3.635 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.566 -0.409 2.488 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.641 0.915 3.321 1.00 0.00 C ATOM 0 H VAL A 4 7.769 -2.278 4.404 1.00 0.00 H new ATOM 0 HA VAL A 4 5.016 -1.177 4.671 1.00 0.00 H new ATOM 0 HB VAL A 4 7.185 -0.018 4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.036 0.550 2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.332 -1.136 2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.032 -0.758 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.221 1.791 3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.977 0.631 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.049 1.150 4.206 1.00 0.00 H new ATOM 68 N ALA A 5 3.963 -1.984 2.537 1.00 0.00 N ATOM 69 CA ALA A 5 3.421 -2.482 1.285 1.00 0.00 C ATOM 70 C ALA A 5 3.347 -1.254 0.387 1.00 0.00 C ATOM 71 O ALA A 5 3.058 -0.153 0.867 1.00 0.00 O ATOM 72 CB ALA A 5 2.036 -3.093 1.490 1.00 0.00 C ATOM 0 H ALA A 5 3.346 -1.348 3.042 1.00 0.00 H new ATOM 0 HA ALA A 5 4.036 -3.273 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.654 -3.458 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.105 -3.922 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.359 -2.336 1.886 1.00 0.00 H new ATOM 78 N ILE A 6 3.552 -1.413 -0.909 1.00 0.00 N ATOM 79 CA ILE A 6 3.338 -0.366 -1.886 1.00 0.00 C ATOM 80 C ILE A 6 2.405 -0.968 -2.949 1.00 0.00 C ATOM 81 O ILE A 6 2.642 -2.092 -3.393 1.00 0.00 O ATOM 82 CB ILE A 6 4.670 0.180 -2.438 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.688 0.571 -1.343 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.400 1.437 -3.284 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.610 -0.575 -0.909 1.00 0.00 C ATOM 0 H ILE A 6 3.878 -2.290 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 6 2.868 0.516 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 6 5.102 -0.631 -3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.299 1.397 -1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.146 0.937 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.342 1.822 -3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.741 1.182 -4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.926 2.198 -2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.294 -0.220 -0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.010 -1.394 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.182 -0.927 -1.768 1.00 0.00 H new ATOM 97 N PRO A 7 1.303 -0.284 -3.294 1.00 0.00 N ATOM 98 CA PRO A 7 0.333 -0.704 -4.283 1.00 0.00 C ATOM 99 C PRO A 7 0.924 -0.470 -5.675 1.00 0.00 C ATOM 100 O PRO A 7 1.095 0.679 -6.084 1.00 0.00 O ATOM 101 CB PRO A 7 -0.904 0.163 -3.987 1.00 0.00 C ATOM 102 CG PRO A 7 -0.361 1.440 -3.363 1.00 0.00 C ATOM 103 CD PRO A 7 0.935 1.003 -2.752 1.00 0.00 C ATOM 0 HA PRO A 7 0.068 -1.761 -4.247 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.461 0.377 -4.899 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.588 -0.346 -3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.211 2.220 -4.110 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.043 1.843 -2.614 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.715 1.736 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.838 0.941 -1.668 1.00 0.00 H new ATOM 111 N SER A 8 1.218 -1.537 -6.411 1.00 0.00 N ATOM 112 CA SER A 8 1.806 -1.486 -7.740 1.00 0.00 C ATOM 113 C SER A 8 0.782 -1.956 -8.782 1.00 0.00 C ATOM 114 O SER A 8 -0.291 -2.479 -8.468 1.00 0.00 O ATOM 115 CB SER A 8 3.108 -2.323 -7.741 1.00 0.00 C ATOM 116 OG SER A 8 3.739 -2.354 -9.009 1.00 0.00 O ATOM 0 H SER A 8 1.047 -2.489 -6.087 1.00 0.00 H new ATOM 0 HA SER A 8 2.073 -0.465 -8.011 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.800 -1.912 -7.006 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.880 -3.342 -7.429 1.00 0.00 H new ATOM 0 HG SER A 8 3.930 -3.283 -9.257 1.00 0.00 H new ATOM 122 N VAL A 9 1.146 -1.776 -10.051 1.00 0.00 N ATOM 123 CA VAL A 9 0.445 -2.254 -11.234 1.00 0.00 C ATOM 124 C VAL A 9 1.460 -2.978 -12.135 1.00 0.00 C ATOM 125 O VAL A 9 1.446 -2.852 -13.359 1.00 0.00 O ATOM 126 CB VAL A 9 -0.280 -1.068 -11.923 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.174 -0.322 -10.927 1.00 0.00 C ATOM 128 CG2 VAL A 9 0.637 -0.014 -12.571 1.00 0.00 C ATOM 0 H VAL A 9 1.992 -1.260 -10.291 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.334 -2.973 -10.983 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.847 -1.549 -12.720 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.672 0.505 -11.433 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.923 -1.006 -10.527 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.565 0.066 -10.111 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.028 0.769 -13.023 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.284 0.423 -11.810 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.249 -0.487 -13.339 1.00 0.00 H new ATOM 138 N GLY A 10 2.375 -3.738 -11.536 1.00 0.00 N ATOM 139 CA GLY A 10 3.294 -4.625 -12.227 1.00 0.00 C ATOM 140 C GLY A 10 4.235 -5.271 -11.215 1.00 0.00 C ATOM 141 O GLY A 10 4.230 -4.905 -10.031 1.00 0.00 O ATOM 0 H GLY A 10 2.497 -3.750 -10.523 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.739 -5.393 -12.766 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.867 -4.067 -12.968 1.00 0.00 H new ATOM 145 N LYS A 11 5.044 -6.221 -11.686 1.00 0.00 N ATOM 146 CA LYS A 11 5.889 -7.084 -10.866 1.00 0.00 C ATOM 147 C LYS A 11 7.345 -6.691 -11.101 1.00 0.00 C ATOM 148 O LYS A 11 8.214 -7.516 -11.397 1.00 0.00 O ATOM 149 CB LYS A 11 5.528 -8.577 -11.048 1.00 0.00 C ATOM 150 CG LYS A 11 5.492 -9.078 -12.498 1.00 0.00 C ATOM 151 CD LYS A 11 5.150 -10.573 -12.656 1.00 0.00 C ATOM 152 CE LYS A 11 3.723 -10.870 -12.178 1.00 0.00 C ATOM 153 NZ LYS A 11 3.340 -12.298 -12.267 1.00 0.00 N ATOM 0 H LYS A 11 5.130 -6.416 -12.683 1.00 0.00 H new ATOM 0 HA LYS A 11 5.708 -6.935 -9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.249 -9.177 -10.493 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.552 -8.754 -10.597 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.759 -8.491 -13.052 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.463 -8.891 -12.957 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.254 -10.864 -13.701 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.859 -11.173 -12.086 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.622 -10.542 -11.143 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.023 -10.280 -12.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.320 -12.395 -12.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.563 -12.659 -13.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.868 -12.844 -11.557 1.00 0.00 H new ATOM 167 N ASP A 12 7.619 -5.394 -10.996 1.00 0.00 N ATOM 168 CA ASP A 12 8.957 -4.820 -11.006 1.00 0.00 C ATOM 169 C ASP A 12 8.986 -3.682 -10.007 1.00 0.00 C ATOM 170 O ASP A 12 7.950 -3.099 -9.697 1.00 0.00 O ATOM 171 CB ASP A 12 9.312 -4.293 -12.404 1.00 0.00 C ATOM 172 CG ASP A 12 10.122 -5.309 -13.190 1.00 0.00 C ATOM 173 OD1 ASP A 12 11.175 -5.740 -12.683 1.00 0.00 O ATOM 174 OD2 ASP A 12 9.719 -5.705 -14.308 1.00 0.00 O ATOM 0 H ASP A 12 6.887 -4.690 -10.898 1.00 0.00 H new ATOM 0 HA ASP A 12 9.687 -5.584 -10.740 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.398 -4.055 -12.948 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.879 -3.366 -12.312 1.00 0.00 H new ATOM 179 N LEU A 13 10.174 -3.336 -9.520 1.00 0.00 N ATOM 180 CA LEU A 13 10.415 -2.249 -8.565 1.00 0.00 C ATOM 181 C LEU A 13 10.405 -0.893 -9.286 1.00 0.00 C ATOM 182 O LEU A 13 10.560 0.160 -8.685 1.00 0.00 O ATOM 183 CB LEU A 13 11.755 -2.526 -7.861 1.00 0.00 C ATOM 184 CG LEU A 13 11.960 -2.060 -6.402 1.00 0.00 C ATOM 185 CD1 LEU A 13 11.856 -0.554 -6.221 1.00 0.00 C ATOM 186 CD2 LEU A 13 11.038 -2.759 -5.402 1.00 0.00 C ATOM 0 H LEU A 13 11.031 -3.821 -9.787 1.00 0.00 H new ATOM 0 HA LEU A 13 9.624 -2.206 -7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.920 -3.603 -7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.540 -2.069 -8.463 1.00 0.00 H new ATOM 0 HG LEU A 13 12.986 -2.356 -6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.011 -0.302 -5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.615 -0.061 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.867 -0.217 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.237 -2.383 -4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.999 -2.560 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.220 -3.833 -5.429 1.00 0.00 H new ATOM 198 N SER A 14 10.177 -0.884 -10.592 1.00 0.00 N ATOM 199 CA SER A 14 9.904 0.346 -11.297 1.00 0.00 C ATOM 200 C SER A 14 8.607 0.180 -12.092 1.00 0.00 C ATOM 201 O SER A 14 8.446 0.728 -13.188 1.00 0.00 O ATOM 202 CB SER A 14 11.107 0.564 -12.196 1.00 0.00 C ATOM 203 OG SER A 14 11.250 1.893 -12.637 1.00 0.00 O ATOM 0 H SER A 14 10.177 -1.718 -11.179 1.00 0.00 H new ATOM 0 HA SER A 14 9.763 1.205 -10.641 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.009 0.270 -11.659 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.025 -0.091 -13.064 1.00 0.00 H new ATOM 0 HG SER A 14 12.043 1.964 -13.209 1.00 0.00 H new ATOM 209 N SER A 15 7.631 -0.526 -11.517 1.00 0.00 N ATOM 210 CA SER A 15 6.269 -0.440 -12.024 1.00 0.00 C ATOM 211 C SER A 15 5.598 0.823 -11.469 1.00 0.00 C ATOM 212 O SER A 15 6.078 1.362 -10.479 1.00 0.00 O ATOM 213 CB SER A 15 5.504 -1.697 -11.609 1.00 0.00 C ATOM 214 OG SER A 15 6.007 -2.815 -12.316 1.00 0.00 O ATOM 0 H SER A 15 7.757 -1.148 -10.719 1.00 0.00 H new ATOM 0 HA SER A 15 6.271 -0.376 -13.112 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.604 -1.858 -10.536 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.441 -1.572 -11.815 1.00 0.00 H new ATOM 0 HG SER A 15 5.624 -2.831 -13.218 1.00 0.00 H new ATOM 220 N MET A 16 4.470 1.267 -12.021 1.00 0.00 N ATOM 221 CA MET A 16 3.829 2.516 -11.605 1.00 0.00 C ATOM 222 C MET A 16 3.068 2.276 -10.299 1.00 0.00 C ATOM 223 O MET A 16 2.431 1.227 -10.144 1.00 0.00 O ATOM 224 CB MET A 16 2.851 2.943 -12.712 1.00 0.00 C ATOM 225 CG MET A 16 3.433 3.976 -13.679 1.00 0.00 C ATOM 226 SD MET A 16 2.653 5.611 -13.597 1.00 0.00 S ATOM 227 CE MET A 16 2.828 5.965 -11.830 1.00 0.00 C ATOM 0 H MET A 16 3.976 0.775 -12.765 1.00 0.00 H new ATOM 0 HA MET A 16 4.572 3.298 -11.444 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.546 2.061 -13.276 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.952 3.354 -12.252 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.498 4.086 -13.475 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.341 3.595 -14.696 1.00 0.00 H new ATOM 0 HE1 MET A 16 3.073 7.018 -11.692 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.892 5.740 -11.319 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.625 5.350 -11.413 1.00 0.00 H new ATOM 237 N VAL A 17 3.180 3.177 -9.317 1.00 0.00 N ATOM 238 CA VAL A 17 2.434 3.072 -8.056 1.00 0.00 C ATOM 239 C VAL A 17 0.992 3.472 -8.348 1.00 0.00 C ATOM 240 O VAL A 17 0.706 4.380 -9.134 1.00 0.00 O ATOM 241 CB VAL A 17 3.118 3.851 -6.904 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.384 3.906 -5.559 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.431 3.164 -6.585 1.00 0.00 C ATOM 0 H VAL A 17 3.786 3.995 -9.372 1.00 0.00 H new ATOM 0 HA VAL A 17 2.430 2.049 -7.681 1.00 0.00 H new ATOM 0 HB VAL A 17 3.178 4.870 -7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.974 4.481 -4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.413 4.382 -5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.243 2.894 -5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.932 3.695 -5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.239 2.135 -6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.068 3.167 -7.470 1.00 0.00 H new ATOM 253 N SER A 18 0.081 2.702 -7.772 1.00 0.00 N ATOM 254 CA SER A 18 -1.338 2.767 -8.017 1.00 0.00 C ATOM 255 C SER A 18 -1.944 3.642 -6.937 1.00 0.00 C ATOM 256 O SER A 18 -1.700 3.422 -5.750 1.00 0.00 O ATOM 257 CB SER A 18 -1.896 1.339 -7.981 1.00 0.00 C ATOM 258 OG SER A 18 -2.957 1.205 -8.907 1.00 0.00 O ATOM 0 H SER A 18 0.330 1.985 -7.091 1.00 0.00 H new ATOM 0 HA SER A 18 -1.575 3.196 -8.990 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.106 0.626 -8.217 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.248 1.104 -6.977 1.00 0.00 H new ATOM 0 HG SER A 18 -3.304 0.289 -8.876 1.00 0.00 H new ATOM 264 N ASP A 19 -2.772 4.609 -7.329 1.00 0.00 N ATOM 265 CA ASP A 19 -3.310 5.597 -6.399 1.00 0.00 C ATOM 266 C ASP A 19 -4.491 5.012 -5.599 1.00 0.00 C ATOM 267 O ASP A 19 -5.530 5.640 -5.394 1.00 0.00 O ATOM 268 CB ASP A 19 -3.812 6.825 -7.186 1.00 0.00 C ATOM 269 CG ASP A 19 -2.765 7.850 -7.563 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.902 8.170 -6.711 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.846 8.335 -8.713 1.00 0.00 O ATOM 0 H ASP A 19 -3.086 4.728 -8.292 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.516 5.883 -5.709 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.292 6.474 -8.099 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.580 7.322 -6.593 1.00 0.00 H new ATOM 276 N ARG A 20 -4.427 3.751 -5.197 1.00 0.00 N ATOM 277 CA ARG A 20 -5.581 3.020 -4.706 1.00 0.00 C ATOM 278 C ARG A 20 -5.060 1.804 -3.976 1.00 0.00 C ATOM 279 O ARG A 20 -4.845 0.769 -4.604 1.00 0.00 O ATOM 280 CB ARG A 20 -6.562 2.647 -5.850 1.00 0.00 C ATOM 281 CG ARG A 20 -5.983 2.450 -7.267 1.00 0.00 C ATOM 282 CD ARG A 20 -7.099 2.113 -8.269 1.00 0.00 C ATOM 283 NE ARG A 20 -7.630 3.308 -8.946 1.00 0.00 N ATOM 284 CZ ARG A 20 -8.027 3.397 -10.224 1.00 0.00 C ATOM 285 NH1 ARG A 20 -8.200 2.321 -10.977 1.00 0.00 N ATOM 286 NH2 ARG A 20 -8.245 4.595 -10.758 1.00 0.00 N ATOM 0 H ARG A 20 -3.566 3.204 -5.203 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.164 3.642 -4.026 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.071 1.726 -5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.322 3.426 -5.905 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.466 3.356 -7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.244 1.649 -7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.715 1.417 -9.015 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.910 1.605 -7.747 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.704 4.156 -8.385 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.031 1.394 -10.588 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.503 2.420 -11.946 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.110 5.436 -10.197 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.547 4.673 -11.729 1.00 0.00 H new ATOM 300 N PHE A 21 -4.877 1.902 -2.652 1.00 0.00 N ATOM 301 CA PHE A 21 -4.387 0.780 -1.886 1.00 0.00 C ATOM 302 C PHE A 21 -5.269 -0.445 -2.103 1.00 0.00 C ATOM 303 O PHE A 21 -4.773 -1.496 -2.467 1.00 0.00 O ATOM 304 CB PHE A 21 -4.306 1.165 -0.412 1.00 0.00 C ATOM 305 CG PHE A 21 -4.132 -0.057 0.448 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.014 -0.876 0.226 1.00 0.00 C ATOM 307 CD2 PHE A 21 -5.138 -0.453 1.345 1.00 0.00 C ATOM 308 CE1 PHE A 21 -2.901 -2.106 0.878 1.00 0.00 C ATOM 309 CE2 PHE A 21 -5.003 -1.675 2.025 1.00 0.00 C ATOM 310 CZ PHE A 21 -3.889 -2.503 1.795 1.00 0.00 C ATOM 0 H PHE A 21 -5.063 2.744 -2.106 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.385 0.518 -2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.471 1.848 -0.255 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.212 1.696 -0.119 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.238 -0.554 -0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.003 0.173 1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.057 -2.750 0.678 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.761 -1.981 2.731 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.793 -3.441 2.322 1.00 0.00 H new ATOM 320 N ALA A 22 -6.584 -0.326 -1.918 1.00 0.00 N ATOM 321 CA ALA A 22 -7.467 -1.484 -1.966 1.00 0.00 C ATOM 322 C ALA A 22 -7.751 -1.965 -3.398 1.00 0.00 C ATOM 323 O ALA A 22 -8.715 -2.704 -3.581 1.00 0.00 O ATOM 324 CB ALA A 22 -8.766 -1.170 -1.215 1.00 0.00 C ATOM 0 H ALA A 22 -7.057 0.559 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.954 -2.310 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.426 -2.037 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.537 -0.931 -0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.260 -0.318 -1.683 1.00 0.00 H new ATOM 330 N ARG A 23 -7.008 -1.520 -4.420 1.00 0.00 N ATOM 331 CA ARG A 23 -7.249 -1.874 -5.815 1.00 0.00 C ATOM 332 C ARG A 23 -5.914 -1.984 -6.570 1.00 0.00 C ATOM 333 O ARG A 23 -5.822 -1.595 -7.737 1.00 0.00 O ATOM 334 CB ARG A 23 -8.151 -0.775 -6.398 1.00 0.00 C ATOM 335 CG ARG A 23 -9.547 -1.265 -6.722 1.00 0.00 C ATOM 336 CD ARG A 23 -9.539 -2.304 -7.852 1.00 0.00 C ATOM 337 NE ARG A 23 -10.878 -2.458 -8.427 1.00 0.00 N ATOM 338 CZ ARG A 23 -11.487 -1.648 -9.303 1.00 0.00 C ATOM 339 NH1 ARG A 23 -10.875 -0.591 -9.825 1.00 0.00 N ATOM 340 NH2 ARG A 23 -12.745 -1.906 -9.626 1.00 0.00 N ATOM 0 H ARG A 23 -6.212 -0.895 -4.293 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.738 -2.844 -5.909 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.217 0.048 -5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.692 -0.378 -7.303 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.995 -1.702 -5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.171 -0.419 -7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.838 -1.998 -8.628 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.191 -3.263 -7.468 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.407 -3.276 -8.125 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.913 -0.377 -9.561 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.367 0.006 -10.490 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.225 -2.704 -9.210 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.234 -1.306 -10.290 1.00 0.00 H new ATOM 354 N ALA A 24 -4.873 -2.520 -5.937 1.00 0.00 N ATOM 355 CA ALA A 24 -3.555 -2.508 -6.546 1.00 0.00 C ATOM 356 C ALA A 24 -3.295 -3.918 -7.062 1.00 0.00 C ATOM 357 O ALA A 24 -3.481 -4.879 -6.319 1.00 0.00 O ATOM 358 CB ALA A 24 -2.491 -2.059 -5.542 1.00 0.00 C ATOM 0 H ALA A 24 -4.919 -2.960 -5.018 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.508 -1.794 -7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.513 -2.059 -6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.723 -1.053 -5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.478 -2.745 -4.695 1.00 0.00 H new ATOM 364 N GLU A 25 -2.922 -4.053 -8.329 1.00 0.00 N ATOM 365 CA GLU A 25 -2.811 -5.361 -8.961 1.00 0.00 C ATOM 366 C GLU A 25 -1.658 -6.191 -8.395 1.00 0.00 C ATOM 367 O GLU A 25 -1.636 -7.416 -8.539 1.00 0.00 O ATOM 368 CB GLU A 25 -2.652 -5.166 -10.476 1.00 0.00 C ATOM 369 CG GLU A 25 -4.026 -5.244 -11.144 1.00 0.00 C ATOM 370 CD GLU A 25 -3.907 -5.328 -12.670 1.00 0.00 C ATOM 371 OE1 GLU A 25 -3.321 -4.392 -13.262 1.00 0.00 O ATOM 372 OE2 GLU A 25 -4.364 -6.318 -13.291 1.00 0.00 O ATOM 0 H GLU A 25 -2.691 -3.270 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.721 -5.922 -8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.189 -4.201 -10.683 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.992 -5.931 -10.885 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.563 -6.116 -10.772 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.614 -4.367 -10.872 1.00 0.00 H new ATOM 379 N TYR A 26 -0.689 -5.545 -7.757 1.00 0.00 N ATOM 380 CA TYR A 26 0.475 -6.138 -7.159 1.00 0.00 C ATOM 381 C TYR A 26 0.733 -5.349 -5.879 1.00 0.00 C ATOM 382 O TYR A 26 0.397 -4.165 -5.817 1.00 0.00 O ATOM 383 CB TYR A 26 1.634 -6.030 -8.162 1.00 0.00 C ATOM 384 CG TYR A 26 1.424 -6.834 -9.434 1.00 0.00 C ATOM 385 CD1 TYR A 26 1.818 -8.182 -9.489 1.00 0.00 C ATOM 386 CD2 TYR A 26 0.794 -6.250 -10.551 1.00 0.00 C ATOM 387 CE1 TYR A 26 1.585 -8.932 -10.652 1.00 0.00 C ATOM 388 CE2 TYR A 26 0.586 -6.986 -11.731 1.00 0.00 C ATOM 389 CZ TYR A 26 0.980 -8.339 -11.781 1.00 0.00 C ATOM 390 OH TYR A 26 0.778 -9.088 -12.897 1.00 0.00 O ATOM 0 H TYR A 26 -0.708 -4.532 -7.643 1.00 0.00 H new ATOM 0 HA TYR A 26 0.355 -7.194 -6.916 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.777 -4.982 -8.426 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.552 -6.365 -7.679 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.299 -8.640 -8.638 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.466 -5.222 -10.500 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.871 -9.973 -10.683 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.129 -6.519 -12.591 1.00 0.00 H new ATOM 0 HH TYR A 26 0.351 -8.538 -13.587 1.00 0.00 H new ATOM 400 N PHE A 27 1.340 -5.968 -4.869 1.00 0.00 N ATOM 401 CA PHE A 27 1.735 -5.278 -3.646 1.00 0.00 C ATOM 402 C PHE A 27 3.167 -5.651 -3.363 1.00 0.00 C ATOM 403 O PHE A 27 3.490 -6.829 -3.233 1.00 0.00 O ATOM 404 CB PHE A 27 0.841 -5.600 -2.449 1.00 0.00 C ATOM 405 CG PHE A 27 -0.548 -5.049 -2.582 1.00 0.00 C ATOM 406 CD1 PHE A 27 -0.837 -3.751 -2.128 1.00 0.00 C ATOM 407 CD2 PHE A 27 -1.535 -5.822 -3.216 1.00 0.00 C ATOM 408 CE1 PHE A 27 -2.128 -3.234 -2.302 1.00 0.00 C ATOM 409 CE2 PHE A 27 -2.820 -5.296 -3.382 1.00 0.00 C ATOM 410 CZ PHE A 27 -3.116 -4.012 -2.923 1.00 0.00 C ATOM 0 H PHE A 27 1.571 -6.961 -4.876 1.00 0.00 H new ATOM 0 HA PHE A 27 1.626 -4.204 -3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.785 -6.682 -2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.298 -5.200 -1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.072 -3.158 -1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.303 -6.815 -3.572 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.362 -2.237 -1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.585 -5.885 -3.866 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.113 -3.615 -3.047 1.00 0.00 H new ATOM 420 N ILE A 28 4.023 -4.645 -3.334 1.00 0.00 N ATOM 421 CA ILE A 28 5.453 -4.806 -3.207 1.00 0.00 C ATOM 422 C ILE A 28 5.732 -4.576 -1.735 1.00 0.00 C ATOM 423 O ILE A 28 5.441 -3.499 -1.219 1.00 0.00 O ATOM 424 CB ILE A 28 6.167 -3.850 -4.184 1.00 0.00 C ATOM 425 CG1 ILE A 28 5.517 -3.798 -5.588 1.00 0.00 C ATOM 426 CG2 ILE A 28 7.640 -4.258 -4.277 1.00 0.00 C ATOM 427 CD1 ILE A 28 5.195 -5.143 -6.254 1.00 0.00 C ATOM 0 H ILE A 28 3.731 -3.670 -3.400 1.00 0.00 H new ATOM 0 HA ILE A 28 5.834 -5.789 -3.485 1.00 0.00 H new ATOM 0 HB ILE A 28 6.073 -2.839 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.592 -3.227 -5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.182 -3.242 -6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.160 -3.591 -4.965 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.099 -4.191 -3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.711 -5.283 -4.642 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.744 -4.967 -7.231 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.113 -5.717 -6.376 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.499 -5.701 -5.628 1.00 0.00 H new ATOM 439 N ILE A 29 6.156 -5.624 -1.040 1.00 0.00 N ATOM 440 CA ILE A 29 6.355 -5.607 0.393 1.00 0.00 C ATOM 441 C ILE A 29 7.844 -5.468 0.609 1.00 0.00 C ATOM 442 O ILE A 29 8.581 -6.371 0.241 1.00 0.00 O ATOM 443 CB ILE A 29 5.779 -6.864 1.062 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.260 -6.892 0.819 1.00 0.00 C ATOM 445 CG2 ILE A 29 6.128 -6.887 2.563 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.632 -8.163 1.376 1.00 0.00 C ATOM 0 H ILE A 29 6.374 -6.523 -1.470 1.00 0.00 H new ATOM 0 HA ILE A 29 5.823 -4.776 0.857 1.00 0.00 H new ATOM 0 HB ILE A 29 6.220 -7.761 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.799 -6.022 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.060 -6.824 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.711 -7.785 3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.211 -6.887 2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.708 -6.005 3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.558 -8.151 1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.076 -9.032 0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.811 -8.217 2.450 1.00 0.00 H new ATOM 458 N TYR A 30 8.268 -4.332 1.143 1.00 0.00 N ATOM 459 CA TYR A 30 9.665 -3.992 1.376 1.00 0.00 C ATOM 460 C TYR A 30 10.007 -4.121 2.849 1.00 0.00 C ATOM 461 O TYR A 30 9.368 -3.483 3.688 1.00 0.00 O ATOM 462 CB TYR A 30 9.861 -2.514 1.003 1.00 0.00 C ATOM 463 CG TYR A 30 11.312 -2.108 0.865 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.137 -2.823 -0.014 1.00 0.00 C ATOM 465 CD2 TYR A 30 11.843 -1.040 1.615 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.496 -2.504 -0.138 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.203 -0.697 1.481 1.00 0.00 C ATOM 468 CZ TYR A 30 14.025 -1.423 0.594 1.00 0.00 C ATOM 469 OH TYR A 30 15.341 -1.119 0.455 1.00 0.00 O ATOM 0 H TYR A 30 7.627 -3.595 1.437 1.00 0.00 H new ATOM 0 HA TYR A 30 10.294 -4.659 0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.346 -2.314 0.063 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.389 -1.891 1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.721 -3.628 -0.602 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.209 -0.486 2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.133 -3.083 -0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.615 0.119 2.056 1.00 0.00 H new ATOM 0 HH TYR A 30 15.561 -0.350 1.021 1.00 0.00 H new ATOM 479 N ASP A 31 11.043 -4.898 3.149 1.00 0.00 N ATOM 480 CA ASP A 31 11.656 -4.976 4.477 1.00 0.00 C ATOM 481 C ASP A 31 12.663 -3.829 4.621 1.00 0.00 C ATOM 482 O ASP A 31 13.735 -3.866 4.001 1.00 0.00 O ATOM 483 CB ASP A 31 12.423 -6.296 4.634 1.00 0.00 C ATOM 484 CG ASP A 31 11.676 -7.394 5.374 1.00 0.00 C ATOM 485 OD1 ASP A 31 11.251 -7.138 6.520 1.00 0.00 O ATOM 486 OD2 ASP A 31 11.581 -8.518 4.829 1.00 0.00 O ATOM 0 H ASP A 31 11.492 -5.505 2.463 1.00 0.00 H new ATOM 0 HA ASP A 31 10.872 -4.914 5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.689 -6.664 3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.356 -6.095 5.160 1.00 0.00 H new ATOM 491 N THR A 32 12.406 -2.844 5.486 1.00 0.00 N ATOM 492 CA THR A 32 13.436 -1.911 5.960 1.00 0.00 C ATOM 493 C THR A 32 14.294 -2.617 7.024 1.00 0.00 C ATOM 494 O THR A 32 14.355 -2.168 8.177 1.00 0.00 O ATOM 495 CB THR A 32 12.785 -0.594 6.452 1.00 0.00 C ATOM 496 OG1 THR A 32 12.072 -0.827 7.642 1.00 0.00 O ATOM 497 CG2 THR A 32 11.836 0.047 5.430 1.00 0.00 C ATOM 0 H THR A 32 11.480 -2.670 5.878 1.00 0.00 H new ATOM 0 HA THR A 32 14.103 -1.622 5.148 1.00 0.00 H new ATOM 0 HB THR A 32 13.607 0.103 6.612 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.643 -1.308 8.277 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.419 0.964 5.846 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.386 0.279 4.518 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.028 -0.647 5.199 1.00 0.00 H new ATOM 505 N GLU A 33 14.852 -3.776 6.677 1.00 0.00 N ATOM 506 CA GLU A 33 15.601 -4.626 7.564 1.00 0.00 C ATOM 507 C GLU A 33 16.638 -5.442 6.842 1.00 0.00 C ATOM 508 O GLU A 33 17.718 -5.626 7.402 1.00 0.00 O ATOM 509 CB GLU A 33 14.624 -5.524 8.343 1.00 0.00 C ATOM 510 CG GLU A 33 15.380 -6.520 9.206 1.00 0.00 C ATOM 511 CD GLU A 33 14.530 -7.160 10.304 1.00 0.00 C ATOM 512 OE1 GLU A 33 14.504 -6.590 11.423 1.00 0.00 O ATOM 513 OE2 GLU A 33 13.945 -8.241 10.061 1.00 0.00 O ATOM 0 H GLU A 33 14.785 -4.151 5.731 1.00 0.00 H new ATOM 0 HA GLU A 33 16.151 -3.994 8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 33 13.978 -4.909 8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 33 13.978 -6.057 7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.783 -7.306 8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 33 16.230 -6.016 9.666 1.00 0.00 H new ATOM 520 N SER A 34 16.375 -5.880 5.612 1.00 0.00 N ATOM 521 CA SER A 34 17.450 -6.502 4.883 1.00 0.00 C ATOM 522 C SER A 34 17.252 -6.390 3.368 1.00 0.00 C ATOM 523 O SER A 34 17.583 -7.321 2.635 1.00 0.00 O ATOM 524 CB SER A 34 17.540 -7.965 5.381 1.00 0.00 C ATOM 525 OG SER A 34 18.747 -8.178 6.101 1.00 0.00 O ATOM 0 H SER A 34 15.478 -5.817 5.131 1.00 0.00 H new ATOM 0 HA SER A 34 18.396 -5.993 5.069 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.686 -8.190 6.019 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.492 -8.647 4.532 1.00 0.00 H new ATOM 0 HG SER A 34 18.872 -7.455 6.751 1.00 0.00 H new ATOM 531 N GLY A 35 16.737 -5.247 2.899 1.00 0.00 N ATOM 532 CA GLY A 35 16.456 -4.969 1.492 1.00 0.00 C ATOM 533 C GLY A 35 15.546 -5.991 0.798 1.00 0.00 C ATOM 534 O GLY A 35 15.408 -5.934 -0.429 1.00 0.00 O ATOM 0 H GLY A 35 16.498 -4.467 3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.995 -3.984 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.401 -4.920 0.951 1.00 0.00 H new ATOM 538 N ASN A 36 14.932 -6.922 1.542 1.00 0.00 N ATOM 539 CA ASN A 36 14.031 -7.916 0.975 1.00 0.00 C ATOM 540 C ASN A 36 12.859 -7.175 0.352 1.00 0.00 C ATOM 541 O ASN A 36 12.410 -6.149 0.872 1.00 0.00 O ATOM 542 CB ASN A 36 13.487 -8.915 2.016 1.00 0.00 C ATOM 543 CG ASN A 36 14.490 -9.521 2.980 1.00 0.00 C ATOM 544 OD1 ASN A 36 15.557 -9.977 2.582 1.00 0.00 O ATOM 545 ND2 ASN A 36 14.172 -9.547 4.260 1.00 0.00 N ATOM 0 H ASN A 36 15.051 -7.001 2.552 1.00 0.00 H new ATOM 0 HA ASN A 36 14.594 -8.498 0.245 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.718 -8.410 2.601 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.997 -9.729 1.481 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.818 -9.951 4.938 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.280 -9.163 4.572 1.00 0.00 H new ATOM 552 N VAL A 37 12.351 -7.741 -0.734 1.00 0.00 N ATOM 553 CA VAL A 37 11.108 -7.358 -1.333 1.00 0.00 C ATOM 554 C VAL A 37 10.370 -8.628 -1.748 1.00 0.00 C ATOM 555 O VAL A 37 10.979 -9.574 -2.256 1.00 0.00 O ATOM 556 CB VAL A 37 11.291 -6.393 -2.520 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.113 -5.420 -2.475 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.595 -5.584 -2.590 1.00 0.00 C ATOM 0 H VAL A 37 12.818 -8.502 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 37 10.519 -6.804 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 37 11.339 -7.024 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.195 -4.711 -3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.179 -5.975 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.124 -4.879 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.583 -4.950 -3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.685 -4.961 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.444 -6.266 -2.643 1.00 0.00 H new ATOM 568 N GLU A 38 9.053 -8.621 -1.589 1.00 0.00 N ATOM 569 CA GLU A 38 8.131 -9.676 -1.988 1.00 0.00 C ATOM 570 C GLU A 38 7.108 -9.032 -2.925 1.00 0.00 C ATOM 571 O GLU A 38 6.564 -7.978 -2.593 1.00 0.00 O ATOM 572 CB GLU A 38 7.502 -10.289 -0.721 1.00 0.00 C ATOM 573 CG GLU A 38 6.170 -11.049 -0.881 1.00 0.00 C ATOM 574 CD GLU A 38 6.244 -12.536 -1.249 1.00 0.00 C ATOM 575 OE1 GLU A 38 7.303 -13.193 -1.153 1.00 0.00 O ATOM 576 OE2 GLU A 38 5.158 -13.099 -1.530 1.00 0.00 O ATOM 0 H GLU A 38 8.572 -7.834 -1.153 1.00 0.00 H new ATOM 0 HA GLU A 38 8.618 -10.495 -2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.229 -10.973 -0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.346 -9.486 -0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.618 -10.961 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.583 -10.542 -1.647 1.00 0.00 H new ATOM 583 N VAL A 39 6.828 -9.647 -4.076 1.00 0.00 N ATOM 584 CA VAL A 39 5.750 -9.222 -4.969 1.00 0.00 C ATOM 585 C VAL A 39 4.539 -10.102 -4.672 1.00 0.00 C ATOM 586 O VAL A 39 4.529 -11.296 -4.991 1.00 0.00 O ATOM 587 CB VAL A 39 6.137 -9.302 -6.463 1.00 0.00 C ATOM 588 CG1 VAL A 39 4.988 -8.727 -7.318 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.446 -8.561 -6.782 1.00 0.00 C ATOM 0 H VAL A 39 7.346 -10.458 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 39 5.528 -8.171 -4.784 1.00 0.00 H new ATOM 0 HB VAL A 39 6.303 -10.353 -6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.257 -8.782 -8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.081 -9.306 -7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.814 -7.687 -7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.666 -8.652 -7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.340 -7.508 -6.522 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.261 -8.997 -6.204 1.00 0.00 H new ATOM 599 N VAL A 40 3.502 -9.523 -4.086 1.00 0.00 N ATOM 600 CA VAL A 40 2.149 -10.052 -4.138 1.00 0.00 C ATOM 601 C VAL A 40 1.581 -9.660 -5.502 1.00 0.00 C ATOM 602 O VAL A 40 1.917 -8.611 -6.047 1.00 0.00 O ATOM 603 CB VAL A 40 1.339 -9.447 -2.977 1.00 0.00 C ATOM 604 CG1 VAL A 40 -0.161 -9.766 -3.026 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.912 -9.839 -1.609 1.00 0.00 C ATOM 0 H VAL A 40 3.579 -8.657 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 40 2.114 -11.136 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 40 1.437 -8.370 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.659 -9.304 -2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.586 -9.376 -3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.305 -10.846 -2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.309 -9.390 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.896 -10.924 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.939 -9.482 -1.529 1.00 0.00 H new ATOM 615 N GLU A 41 0.677 -10.488 -6.005 1.00 0.00 N ATOM 616 CA GLU A 41 -0.141 -10.332 -7.194 1.00 0.00 C ATOM 617 C GLU A 41 -1.548 -10.490 -6.648 1.00 0.00 C ATOM 618 O GLU A 41 -1.906 -11.581 -6.189 1.00 0.00 O ATOM 619 CB GLU A 41 0.216 -11.449 -8.179 1.00 0.00 C ATOM 620 CG GLU A 41 -0.582 -11.476 -9.477 1.00 0.00 C ATOM 621 CD GLU A 41 -0.016 -12.602 -10.339 1.00 0.00 C ATOM 622 OE1 GLU A 41 -0.282 -13.787 -10.031 1.00 0.00 O ATOM 623 OE2 GLU A 41 0.787 -12.305 -11.250 1.00 0.00 O ATOM 0 H GLU A 41 0.480 -11.375 -5.541 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.010 -9.392 -7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.274 -11.362 -8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.084 -12.406 -7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.640 -11.643 -9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.504 -10.520 -9.995 1.00 0.00 H new ATOM 630 N ASN A 42 -2.307 -9.401 -6.552 1.00 0.00 N ATOM 631 CA ASN A 42 -3.606 -9.432 -5.904 1.00 0.00 C ATOM 632 C ASN A 42 -4.654 -8.955 -6.879 1.00 0.00 C ATOM 633 O ASN A 42 -4.552 -7.870 -7.444 1.00 0.00 O ATOM 634 CB ASN A 42 -3.642 -8.657 -4.592 1.00 0.00 C ATOM 635 CG ASN A 42 -4.673 -9.294 -3.669 1.00 0.00 C ATOM 636 OD1 ASN A 42 -5.785 -9.599 -4.084 1.00 0.00 O ATOM 637 ND2 ASN A 42 -4.320 -9.574 -2.425 1.00 0.00 N ATOM 0 H ASN A 42 -2.040 -8.487 -6.917 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.821 -10.463 -5.622 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.659 -8.667 -4.122 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.896 -7.614 -4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.975 -10.047 -1.803 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.392 -9.317 -2.088 1.00 0.00 H new ATOM 644 N THR A 43 -5.654 -9.792 -7.079 1.00 0.00 N ATOM 645 CA THR A 43 -6.593 -9.673 -8.166 1.00 0.00 C ATOM 646 C THR A 43 -7.941 -9.262 -7.551 1.00 0.00 C ATOM 647 O THR A 43 -8.887 -10.042 -7.543 1.00 0.00 O ATOM 648 CB THR A 43 -6.527 -11.013 -8.945 1.00 0.00 C ATOM 649 OG1 THR A 43 -6.637 -12.147 -8.087 1.00 0.00 O ATOM 650 CG2 THR A 43 -5.176 -11.168 -9.673 1.00 0.00 C ATOM 0 H THR A 43 -5.836 -10.592 -6.472 1.00 0.00 H new ATOM 0 HA THR A 43 -6.385 -8.901 -8.907 1.00 0.00 H new ATOM 0 HB THR A 43 -7.363 -10.978 -9.643 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.592 -12.967 -8.621 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.159 -12.116 -10.210 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.047 -10.348 -10.380 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.366 -11.149 -8.944 1.00 0.00 H new ATOM 658 N ILE A 44 -8.007 -8.086 -6.908 1.00 0.00 N ATOM 659 CA ILE A 44 -9.217 -7.556 -6.295 1.00 0.00 C ATOM 660 C ILE A 44 -10.083 -6.843 -7.344 1.00 0.00 C ATOM 661 O ILE A 44 -10.094 -5.610 -7.411 1.00 0.00 O ATOM 662 CB ILE A 44 -8.853 -6.657 -5.099 1.00 0.00 C ATOM 663 CG1 ILE A 44 -7.749 -5.627 -5.329 1.00 0.00 C ATOM 664 CG2 ILE A 44 -8.458 -7.463 -3.892 1.00 0.00 C ATOM 665 CD1 ILE A 44 -6.276 -5.937 -5.047 1.00 0.00 C ATOM 0 H ILE A 44 -7.200 -7.471 -6.802 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.820 -8.375 -5.903 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.780 -6.106 -4.944 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.812 -5.327 -6.375 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.006 -4.753 -4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.209 -6.791 -3.071 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.287 -8.105 -3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.591 -8.078 -4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.669 -5.063 -5.281 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.153 -6.193 -3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.956 -6.777 -5.664 1.00 0.00 H new ATOM 677 N ALA A 45 -10.797 -7.603 -8.183 1.00 0.00 N ATOM 678 CA ALA A 45 -11.585 -7.028 -9.267 1.00 0.00 C ATOM 679 C ALA A 45 -13.088 -7.064 -8.946 1.00 0.00 C ATOM 680 O ALA A 45 -13.905 -7.175 -9.859 1.00 0.00 O ATOM 681 CB ALA A 45 -11.240 -7.798 -10.551 1.00 0.00 C ATOM 0 H ALA A 45 -10.842 -8.620 -8.127 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.341 -5.974 -9.401 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.814 -7.392 -11.384 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.175 -7.697 -10.761 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.486 -8.852 -10.420 1.00 0.00 H new ATOM 687 N ASP A 46 -13.479 -6.834 -7.690 1.00 0.00 N ATOM 688 CA ASP A 46 -14.873 -6.908 -7.232 1.00 0.00 C ATOM 689 C ASP A 46 -15.130 -5.843 -6.160 1.00 0.00 C ATOM 690 O ASP A 46 -14.190 -5.334 -5.550 1.00 0.00 O ATOM 691 CB ASP A 46 -15.143 -8.316 -6.682 1.00 0.00 C ATOM 692 CG ASP A 46 -16.589 -8.539 -6.232 1.00 0.00 C ATOM 693 OD1 ASP A 46 -17.500 -7.832 -6.720 1.00 0.00 O ATOM 694 OD2 ASP A 46 -16.798 -9.413 -5.358 1.00 0.00 O ATOM 0 H ASP A 46 -12.825 -6.586 -6.947 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.549 -6.716 -8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.894 -9.049 -7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.478 -8.500 -5.838 1.00 0.00 H new ATOM 699 N ALA A 47 -16.386 -5.477 -5.925 1.00 0.00 N ATOM 700 CA ALA A 47 -16.829 -4.585 -4.866 1.00 0.00 C ATOM 701 C ALA A 47 -18.133 -5.171 -4.339 1.00 0.00 C ATOM 702 O ALA A 47 -19.158 -5.106 -5.024 1.00 0.00 O ATOM 703 CB ALA A 47 -17.013 -3.161 -5.398 1.00 0.00 C ATOM 0 H ALA A 47 -17.159 -5.813 -6.499 1.00 0.00 H new ATOM 0 HA ALA A 47 -16.093 -4.510 -4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -17.345 -2.510 -4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.065 -2.795 -5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -17.760 -3.163 -6.192 1.00 0.00 H new ATOM 709 N HIS A 48 -18.068 -5.815 -3.175 1.00 0.00 N ATOM 710 CA HIS A 48 -19.157 -6.635 -2.662 1.00 0.00 C ATOM 711 C HIS A 48 -19.221 -6.539 -1.134 1.00 0.00 C ATOM 712 O HIS A 48 -20.297 -6.266 -0.606 1.00 0.00 O ATOM 713 CB HIS A 48 -18.953 -8.061 -3.193 1.00 0.00 C ATOM 714 CG HIS A 48 -20.149 -8.980 -3.195 1.00 0.00 C ATOM 715 ND1 HIS A 48 -20.077 -10.342 -3.376 1.00 0.00 N ATOM 716 CD2 HIS A 48 -21.474 -8.637 -3.139 1.00 0.00 C ATOM 717 CE1 HIS A 48 -21.329 -10.820 -3.410 1.00 0.00 C ATOM 718 NE2 HIS A 48 -22.217 -9.818 -3.265 1.00 0.00 N ATOM 0 H HIS A 48 -17.254 -5.781 -2.561 1.00 0.00 H new ATOM 0 HA HIS A 48 -20.129 -6.284 -3.009 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -18.582 -7.990 -4.215 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -18.168 -8.532 -2.601 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -21.872 -7.640 -3.020 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -21.589 -11.861 -3.536 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -23.233 -9.903 -3.250 1.00 0.00 H new ATOM 726 N GLY A 49 -18.097 -6.672 -0.417 1.00 0.00 N ATOM 727 CA GLY A 49 -17.976 -6.262 0.985 1.00 0.00 C ATOM 728 C GLY A 49 -17.753 -7.424 1.951 1.00 0.00 C ATOM 729 O GLY A 49 -17.825 -8.584 1.553 1.00 0.00 O ATOM 0 H GLY A 49 -17.240 -7.071 -0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -17.147 -5.560 1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -18.880 -5.728 1.277 1.00 0.00 H new ATOM 733 N THR A 50 -17.520 -7.093 3.225 1.00 0.00 N ATOM 734 CA THR A 50 -17.171 -8.002 4.317 1.00 0.00 C ATOM 735 C THR A 50 -15.976 -8.890 3.937 1.00 0.00 C ATOM 736 O THR A 50 -16.139 -10.010 3.449 1.00 0.00 O ATOM 737 CB THR A 50 -18.409 -8.809 4.758 1.00 0.00 C ATOM 738 OG1 THR A 50 -19.540 -7.975 4.964 1.00 0.00 O ATOM 739 CG2 THR A 50 -18.181 -9.609 6.040 1.00 0.00 C ATOM 0 H THR A 50 -17.574 -6.124 3.538 1.00 0.00 H new ATOM 0 HA THR A 50 -16.850 -7.417 5.179 1.00 0.00 H new ATOM 0 HB THR A 50 -18.592 -9.501 3.936 1.00 0.00 H new ATOM 0 HG1 THR A 50 -20.304 -8.523 5.241 1.00 0.00 H new ATOM 0 HG21 THR A 50 -19.090 -10.154 6.295 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.365 -10.316 5.888 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.925 -8.929 6.853 1.00 0.00 H new ATOM 747 N GLY A 51 -14.758 -8.406 4.185 1.00 0.00 N ATOM 748 CA GLY A 51 -13.535 -9.175 3.989 1.00 0.00 C ATOM 749 C GLY A 51 -12.474 -8.328 3.300 1.00 0.00 C ATOM 750 O GLY A 51 -12.765 -7.802 2.221 1.00 0.00 O ATOM 0 H GLY A 51 -14.595 -7.460 4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.161 -9.525 4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.748 -10.060 3.389 1.00 0.00 H new ATOM 754 N PRO A 52 -11.253 -8.204 3.860 1.00 0.00 N ATOM 755 CA PRO A 52 -10.181 -7.477 3.212 1.00 0.00 C ATOM 756 C PRO A 52 -9.600 -8.286 2.058 1.00 0.00 C ATOM 757 O PRO A 52 -9.456 -7.758 0.961 1.00 0.00 O ATOM 758 CB PRO A 52 -9.164 -7.206 4.308 1.00 0.00 C ATOM 759 CG PRO A 52 -9.312 -8.369 5.285 1.00 0.00 C ATOM 760 CD PRO A 52 -10.797 -8.729 5.145 1.00 0.00 C ATOM 0 HA PRO A 52 -10.520 -6.544 2.762 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.153 -7.157 3.904 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.358 -6.252 4.798 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.665 -9.206 5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.059 -8.078 6.304 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.936 -9.809 5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.375 -8.299 5.963 1.00 0.00 H new ATOM 768 N LYS A 53 -9.234 -9.550 2.311 1.00 0.00 N ATOM 769 CA LYS A 53 -8.331 -10.371 1.503 1.00 0.00 C ATOM 770 C LYS A 53 -6.956 -9.711 1.371 1.00 0.00 C ATOM 771 O LYS A 53 -6.006 -10.211 1.966 1.00 0.00 O ATOM 772 CB LYS A 53 -8.963 -10.803 0.165 1.00 0.00 C ATOM 773 CG LYS A 53 -10.214 -11.688 0.346 1.00 0.00 C ATOM 774 CD LYS A 53 -11.554 -10.943 0.477 1.00 0.00 C ATOM 775 CE LYS A 53 -11.926 -10.305 -0.862 1.00 0.00 C ATOM 776 NZ LYS A 53 -13.362 -9.987 -0.993 1.00 0.00 N ATOM 0 H LYS A 53 -9.580 -10.051 3.129 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.161 -11.308 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.233 -9.915 -0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.222 -11.346 -0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.280 -12.367 -0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.074 -12.303 1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.336 -11.635 0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.480 -10.176 1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.348 -9.390 -0.991 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.638 -10.980 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.539 -9.558 -1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.921 -10.860 -0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.639 -9.319 -0.246 1.00 0.00 H new ATOM 790 N VAL A 54 -6.851 -8.561 0.700 1.00 0.00 N ATOM 791 CA VAL A 54 -5.628 -7.777 0.550 1.00 0.00 C ATOM 792 C VAL A 54 -4.934 -7.568 1.903 1.00 0.00 C ATOM 793 O VAL A 54 -3.846 -8.091 2.123 1.00 0.00 O ATOM 794 CB VAL A 54 -5.937 -6.488 -0.246 1.00 0.00 C ATOM 795 CG1 VAL A 54 -6.901 -5.473 0.395 1.00 0.00 C ATOM 796 CG2 VAL A 54 -4.648 -5.751 -0.603 1.00 0.00 C ATOM 0 H VAL A 54 -7.649 -8.136 0.228 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.892 -8.322 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.461 -6.874 -1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.026 -4.619 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.868 -5.946 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.492 -5.133 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.889 -4.847 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.118 -5.482 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.016 -6.397 -1.212 1.00 0.00 H new ATOM 806 N VAL A 55 -5.587 -6.861 2.826 1.00 0.00 N ATOM 807 CA VAL A 55 -5.111 -6.610 4.185 1.00 0.00 C ATOM 808 C VAL A 55 -4.815 -7.925 4.859 1.00 0.00 C ATOM 809 O VAL A 55 -3.701 -8.043 5.333 1.00 0.00 O ATOM 810 CB VAL A 55 -6.106 -5.720 4.962 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.476 -5.069 6.181 1.00 0.00 C ATOM 812 CG2 VAL A 55 -6.715 -4.626 4.064 1.00 0.00 C ATOM 0 H VAL A 55 -6.494 -6.433 2.640 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.179 -6.046 4.160 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.897 -6.390 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.219 -4.455 6.690 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.116 -5.841 6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.640 -4.443 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.409 -4.021 4.647 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.920 -3.991 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.247 -5.091 3.234 1.00 0.00 H new ATOM 822 N GLN A 56 -5.726 -8.908 4.832 1.00 0.00 N ATOM 823 CA GLN A 56 -5.490 -10.181 5.498 1.00 0.00 C ATOM 824 C GLN A 56 -4.113 -10.749 5.111 1.00 0.00 C ATOM 825 O GLN A 56 -3.317 -11.070 5.988 1.00 0.00 O ATOM 826 CB GLN A 56 -6.620 -11.197 5.238 1.00 0.00 C ATOM 827 CG GLN A 56 -7.571 -11.321 6.439 1.00 0.00 C ATOM 828 CD GLN A 56 -6.939 -12.072 7.615 1.00 0.00 C ATOM 829 OE1 GLN A 56 -7.004 -13.296 7.711 1.00 0.00 O ATOM 830 NE2 GLN A 56 -6.337 -11.353 8.551 1.00 0.00 N ATOM 0 H GLN A 56 -6.626 -8.840 4.357 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.490 -9.993 6.572 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.186 -10.892 4.358 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.187 -12.172 5.017 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.869 -10.325 6.767 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.478 -11.839 6.128 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.288 -10.338 8.462 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.922 -11.814 9.361 1.00 0.00 H new ATOM 839 N SER A 57 -3.818 -10.801 3.809 1.00 0.00 N ATOM 840 CA SER A 57 -2.559 -11.294 3.270 1.00 0.00 C ATOM 841 C SER A 57 -1.367 -10.460 3.740 1.00 0.00 C ATOM 842 O SER A 57 -0.401 -10.999 4.281 1.00 0.00 O ATOM 843 CB SER A 57 -2.661 -11.293 1.732 1.00 0.00 C ATOM 844 OG SER A 57 -1.544 -11.884 1.099 1.00 0.00 O ATOM 0 H SER A 57 -4.469 -10.492 3.087 1.00 0.00 H new ATOM 0 HA SER A 57 -2.386 -12.306 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.564 -11.826 1.434 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.767 -10.266 1.382 1.00 0.00 H new ATOM 0 HG SER A 57 -1.666 -11.856 0.127 1.00 0.00 H new ATOM 850 N LEU A 58 -1.408 -9.146 3.513 1.00 0.00 N ATOM 851 CA LEU A 58 -0.297 -8.248 3.807 1.00 0.00 C ATOM 852 C LEU A 58 0.046 -8.316 5.299 1.00 0.00 C ATOM 853 O LEU A 58 1.213 -8.420 5.672 1.00 0.00 O ATOM 854 CB LEU A 58 -0.669 -6.821 3.372 1.00 0.00 C ATOM 855 CG LEU A 58 -0.864 -6.635 1.854 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.359 -5.220 1.559 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.400 -6.907 1.053 1.00 0.00 C ATOM 0 H LEU A 58 -2.221 -8.674 3.117 1.00 0.00 H new ATOM 0 HA LEU A 58 0.590 -8.553 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.588 -6.530 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.111 -6.139 3.710 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.607 -7.370 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.494 -5.098 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.310 -5.054 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.627 -4.496 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.197 -6.759 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.187 -6.223 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.723 -7.934 1.221 1.00 0.00 H new ATOM 869 N VAL A 59 -0.976 -8.322 6.145 1.00 0.00 N ATOM 870 CA VAL A 59 -0.904 -8.484 7.587 1.00 0.00 C ATOM 871 C VAL A 59 -0.282 -9.836 7.954 1.00 0.00 C ATOM 872 O VAL A 59 0.625 -9.868 8.791 1.00 0.00 O ATOM 873 CB VAL A 59 -2.334 -8.276 8.117 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.623 -8.865 9.505 1.00 0.00 C ATOM 875 CG2 VAL A 59 -2.627 -6.766 8.158 1.00 0.00 C ATOM 0 H VAL A 59 -1.936 -8.207 5.820 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.245 -7.754 8.057 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.981 -8.819 7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.658 -8.660 9.779 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.459 -9.942 9.484 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.957 -8.411 10.239 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.638 -6.601 8.532 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.912 -6.274 8.817 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.539 -6.351 7.154 1.00 0.00 H new ATOM 885 N SER A 60 -0.682 -10.944 7.312 1.00 0.00 N ATOM 886 CA SER A 60 -0.004 -12.219 7.533 1.00 0.00 C ATOM 887 C SER A 60 1.490 -12.134 7.203 1.00 0.00 C ATOM 888 O SER A 60 2.286 -12.871 7.788 1.00 0.00 O ATOM 889 CB SER A 60 -0.641 -13.355 6.721 1.00 0.00 C ATOM 890 OG SER A 60 -2.005 -13.552 7.037 1.00 0.00 O ATOM 0 H SER A 60 -1.457 -10.979 6.649 1.00 0.00 H new ATOM 0 HA SER A 60 -0.117 -12.442 8.594 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.547 -13.134 5.658 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.093 -14.279 6.904 1.00 0.00 H new ATOM 0 HG SER A 60 -2.526 -12.781 6.731 1.00 0.00 H new ATOM 896 N LYS A 61 1.894 -11.219 6.314 1.00 0.00 N ATOM 897 CA LYS A 61 3.281 -11.035 5.905 1.00 0.00 C ATOM 898 C LYS A 61 3.845 -9.780 6.591 1.00 0.00 C ATOM 899 O LYS A 61 4.730 -9.127 6.041 1.00 0.00 O ATOM 900 CB LYS A 61 3.305 -10.916 4.366 1.00 0.00 C ATOM 901 CG LYS A 61 2.711 -12.150 3.649 1.00 0.00 C ATOM 902 CD LYS A 61 2.096 -11.786 2.292 1.00 0.00 C ATOM 903 CE LYS A 61 3.141 -11.714 1.172 1.00 0.00 C ATOM 904 NZ LYS A 61 3.144 -12.941 0.345 1.00 0.00 N ATOM 0 H LYS A 61 1.250 -10.576 5.853 1.00 0.00 H new ATOM 0 HA LYS A 61 3.906 -11.877 6.202 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.748 -10.028 4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.334 -10.772 4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.492 -12.896 3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.949 -12.605 4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.339 -12.525 2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.589 -10.825 2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.937 -10.850 0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.130 -11.566 1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.949 -12.914 -0.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.228 -13.775 0.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.257 -12.998 -0.195 1.00 0.00 H new ATOM 918 N GLY A 62 3.445 -9.537 7.846 1.00 0.00 N ATOM 919 CA GLY A 62 4.042 -8.599 8.793 1.00 0.00 C ATOM 920 C GLY A 62 3.949 -7.114 8.455 1.00 0.00 C ATOM 921 O GLY A 62 4.665 -6.324 9.076 1.00 0.00 O ATOM 0 H GLY A 62 2.644 -10.024 8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.572 -8.755 9.764 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.096 -8.855 8.904 1.00 0.00 H new ATOM 925 N VAL A 63 3.143 -6.726 7.465 1.00 0.00 N ATOM 926 CA VAL A 63 3.130 -5.372 6.931 1.00 0.00 C ATOM 927 C VAL A 63 2.568 -4.383 7.965 1.00 0.00 C ATOM 928 O VAL A 63 1.354 -4.278 8.139 1.00 0.00 O ATOM 929 CB VAL A 63 2.346 -5.372 5.604 1.00 0.00 C ATOM 930 CG1 VAL A 63 2.072 -3.972 5.055 1.00 0.00 C ATOM 931 CG2 VAL A 63 3.122 -6.129 4.517 1.00 0.00 C ATOM 0 H VAL A 63 2.477 -7.351 7.011 1.00 0.00 H new ATOM 0 HA VAL A 63 4.145 -5.035 6.722 1.00 0.00 H new ATOM 0 HB VAL A 63 1.396 -5.853 5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.517 -4.050 4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.486 -3.406 5.779 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.017 -3.461 4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.552 -6.118 3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.087 -5.648 4.357 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.279 -7.160 4.834 1.00 0.00 H new ATOM 941 N GLU A 64 3.435 -3.582 8.591 1.00 0.00 N ATOM 942 CA GLU A 64 3.056 -2.552 9.563 1.00 0.00 C ATOM 943 C GLU A 64 3.155 -1.148 8.940 1.00 0.00 C ATOM 944 O GLU A 64 3.443 -0.168 9.620 1.00 0.00 O ATOM 945 CB GLU A 64 4.049 -2.670 10.743 1.00 0.00 C ATOM 946 CG GLU A 64 3.773 -3.891 11.633 1.00 0.00 C ATOM 947 CD GLU A 64 3.548 -3.536 13.101 1.00 0.00 C ATOM 948 OE1 GLU A 64 4.262 -2.685 13.675 1.00 0.00 O ATOM 949 OE2 GLU A 64 2.637 -4.130 13.726 1.00 0.00 O ATOM 0 H GLU A 64 4.441 -3.632 8.433 1.00 0.00 H new ATOM 0 HA GLU A 64 2.026 -2.694 9.889 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.065 -2.733 10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.996 -1.765 11.349 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.895 -4.415 11.255 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.613 -4.582 11.559 1.00 0.00 H new ATOM 956 N TYR A 65 2.820 -0.991 7.664 1.00 0.00 N ATOM 957 CA TYR A 65 3.003 0.235 6.912 1.00 0.00 C ATOM 958 C TYR A 65 2.328 0.118 5.567 1.00 0.00 C ATOM 959 O TYR A 65 1.913 -0.962 5.143 1.00 0.00 O ATOM 960 CB TYR A 65 4.489 0.458 6.635 1.00 0.00 C ATOM 961 CG TYR A 65 5.157 1.461 7.527 1.00 0.00 C ATOM 962 CD1 TYR A 65 4.739 2.799 7.520 1.00 0.00 C ATOM 963 CD2 TYR A 65 6.230 1.070 8.318 1.00 0.00 C ATOM 964 CE1 TYR A 65 5.317 3.710 8.411 1.00 0.00 C ATOM 965 CE2 TYR A 65 6.800 1.958 9.240 1.00 0.00 C ATOM 966 CZ TYR A 65 6.318 3.285 9.307 1.00 0.00 C ATOM 967 OH TYR A 65 6.814 4.157 10.220 1.00 0.00 O ATOM 0 H TYR A 65 2.401 -1.739 7.112 1.00 0.00 H new ATOM 0 HA TYR A 65 2.582 1.054 7.495 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.008 -0.495 6.733 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.606 0.780 5.600 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.975 3.125 6.830 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.629 0.071 8.221 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.995 4.741 8.412 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.598 1.633 9.891 1.00 0.00 H new ATOM 0 HH TYR A 65 7.496 3.709 10.763 1.00 0.00 H new ATOM 977 N LEU A 66 2.311 1.239 4.855 1.00 0.00 N ATOM 978 CA LEU A 66 1.897 1.336 3.479 1.00 0.00 C ATOM 979 C LEU A 66 2.326 2.692 2.934 1.00 0.00 C ATOM 980 O LEU A 66 2.485 3.638 3.702 1.00 0.00 O ATOM 981 CB LEU A 66 0.388 1.127 3.480 1.00 0.00 C ATOM 982 CG LEU A 66 -0.392 1.566 2.248 1.00 0.00 C ATOM 983 CD1 LEU A 66 -0.079 0.782 0.967 1.00 0.00 C ATOM 984 CD2 LEU A 66 -1.889 1.422 2.526 1.00 0.00 C ATOM 0 H LEU A 66 2.599 2.136 5.246 1.00 0.00 H new ATOM 0 HA LEU A 66 2.355 0.591 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.197 0.065 3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.022 1.654 4.341 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.089 2.597 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.684 1.169 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.977 0.892 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.308 -0.273 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.454 1.735 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.118 0.381 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.163 2.048 3.375 1.00 0.00 H new ATOM 996 N ILE A 67 2.449 2.789 1.616 1.00 0.00 N ATOM 997 CA ILE A 67 2.608 4.016 0.852 1.00 0.00 C ATOM 998 C ILE A 67 1.479 4.015 -0.172 1.00 0.00 C ATOM 999 O ILE A 67 1.528 3.216 -1.099 1.00 0.00 O ATOM 1000 CB ILE A 67 3.996 3.995 0.182 1.00 0.00 C ATOM 1001 CG1 ILE A 67 5.125 4.094 1.239 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.174 5.190 -0.764 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.469 3.529 0.775 1.00 0.00 C ATOM 0 H ILE A 67 2.440 1.963 1.018 1.00 0.00 H new ATOM 0 HA ILE A 67 2.555 4.917 1.462 1.00 0.00 H new ATOM 0 HB ILE A 67 4.057 3.055 -0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.259 5.140 1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.812 3.565 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.162 5.148 -1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.412 5.154 -1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.074 6.118 -0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.204 3.637 1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.354 2.474 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.808 4.073 -0.106 1.00 0.00 H new ATOM 1015 N ALA A 68 0.440 4.829 -0.009 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.684 4.896 -0.928 1.00 0.00 C ATOM 1017 C ALA A 68 -1.341 6.266 -0.848 1.00 0.00 C ATOM 1018 O ALA A 68 -1.737 6.715 0.222 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.743 3.866 -0.552 1.00 0.00 C ATOM 0 H ALA A 68 0.357 5.470 0.780 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.304 4.704 -1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.577 3.930 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.310 2.867 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.100 4.064 0.459 1.00 0.00 H new ATOM 1025 N SER A 69 -1.575 6.891 -1.994 1.00 0.00 N ATOM 1026 CA SER A 69 -2.261 8.185 -2.060 1.00 0.00 C ATOM 1027 C SER A 69 -3.708 8.146 -1.567 1.00 0.00 C ATOM 1028 O SER A 69 -4.277 9.181 -1.207 1.00 0.00 O ATOM 1029 CB SER A 69 -2.291 8.638 -3.512 1.00 0.00 C ATOM 1030 OG SER A 69 -2.801 7.637 -4.333 1.00 0.00 O ATOM 0 H SER A 69 -1.298 6.522 -2.903 1.00 0.00 H new ATOM 0 HA SER A 69 -1.708 8.862 -1.409 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.901 9.536 -3.605 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.284 8.902 -3.836 1.00 0.00 H new ATOM 0 HG SER A 69 -2.329 7.646 -5.192 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.345 6.976 -1.650 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.775 6.842 -1.487 1.00 0.00 C ATOM 1038 C ASN A 70 -6.111 5.355 -1.397 1.00 0.00 C ATOM 1039 O ASN A 70 -5.237 4.482 -1.467 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.493 7.402 -2.737 1.00 0.00 C ATOM 1041 CG ASN A 70 -7.712 8.207 -2.342 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -8.506 7.767 -1.521 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -7.912 9.360 -2.957 1.00 0.00 N ATOM 0 H ASN A 70 -3.869 6.093 -1.834 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.091 7.380 -0.593 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.806 8.029 -3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.790 6.581 -3.390 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.747 9.909 -2.752 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.232 9.700 -3.637 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.392 5.022 -1.287 1.00 0.00 N ATOM 1051 CA VAL A 71 -7.866 3.661 -1.112 1.00 0.00 C ATOM 1052 C VAL A 71 -9.140 3.494 -1.938 1.00 0.00 C ATOM 1053 O VAL A 71 -9.818 4.473 -2.226 1.00 0.00 O ATOM 1054 CB VAL A 71 -7.976 3.409 0.408 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.088 4.188 1.114 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -8.041 1.947 0.813 1.00 0.00 C ATOM 0 H VAL A 71 -8.145 5.710 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.194 2.889 -1.487 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.023 3.806 0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.085 3.944 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.920 5.257 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.052 3.918 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.117 1.873 1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.914 1.481 0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.139 1.436 0.477 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.431 2.255 -2.346 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.656 1.888 -3.054 1.00 0.00 C ATOM 1068 C GLY A 72 -11.873 2.455 -2.321 1.00 0.00 C ATOM 1069 O GLY A 72 -12.686 3.158 -2.916 1.00 0.00 O ATOM 0 H GLY A 72 -8.806 1.464 -2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.625 2.270 -4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.735 0.803 -3.123 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.924 2.174 -1.013 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.884 2.572 0.016 1.00 0.00 C ATOM 1075 C ARG A 73 -12.621 1.632 1.182 1.00 0.00 C ATOM 1076 O ARG A 73 -11.810 1.926 2.058 1.00 0.00 O ATOM 1077 CB ARG A 73 -14.345 2.525 -0.494 1.00 0.00 C ATOM 1078 CG ARG A 73 -15.418 2.733 0.594 1.00 0.00 C ATOM 1079 CD ARG A 73 -16.833 2.666 0.003 1.00 0.00 C ATOM 1080 NE ARG A 73 -17.506 1.380 0.283 1.00 0.00 N ATOM 1081 CZ ARG A 73 -18.277 1.081 1.343 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -18.499 1.979 2.298 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -18.822 -0.124 1.452 1.00 0.00 N ATOM 0 H ARG A 73 -11.198 1.587 -0.603 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.755 3.612 0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.472 3.290 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.516 1.561 -0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.308 1.972 1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.268 3.699 1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.432 3.481 0.410 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.780 2.817 -1.075 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.371 0.638 -0.404 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.082 2.908 2.232 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.086 1.739 3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.656 -0.826 0.731 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.407 -0.348 2.257 1.00 0.00 H new ATOM 1097 N ASN A 74 -13.254 0.465 1.142 1.00 0.00 N ATOM 1098 CA ASN A 74 -13.207 -0.530 2.194 1.00 0.00 C ATOM 1099 C ASN A 74 -11.813 -1.141 2.201 1.00 0.00 C ATOM 1100 O ASN A 74 -11.395 -1.690 1.179 1.00 0.00 O ATOM 1101 CB ASN A 74 -14.298 -1.590 1.953 1.00 0.00 C ATOM 1102 CG ASN A 74 -15.254 -1.735 3.125 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -15.567 -2.851 3.521 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -15.777 -0.645 3.668 1.00 0.00 N ATOM 0 H ASN A 74 -13.830 0.182 0.350 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.401 -0.083 3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.864 -1.324 1.060 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.825 -2.552 1.756 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.452 -0.727 4.428 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.505 0.276 3.325 1.00 0.00 H new ATOM 1111 N ALA A 75 -11.097 -1.019 3.315 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.793 -1.577 3.674 1.00 0.00 C ATOM 1113 C ALA A 75 -9.127 -0.699 4.726 1.00 0.00 C ATOM 1114 O ALA A 75 -8.441 -1.236 5.584 1.00 0.00 O ATOM 1115 CB ALA A 75 -8.820 -1.744 2.502 1.00 0.00 C ATOM 0 H ALA A 75 -11.462 -0.457 4.084 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.006 -2.577 4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.882 -2.164 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.255 -2.415 1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.630 -0.773 2.045 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.302 0.625 4.661 1.00 0.00 N ATOM 1122 CA PHE A 76 -8.708 1.599 5.576 1.00 0.00 C ATOM 1123 C PHE A 76 -9.002 1.255 7.033 1.00 0.00 C ATOM 1124 O PHE A 76 -8.095 1.282 7.860 1.00 0.00 O ATOM 1125 CB PHE A 76 -9.231 2.991 5.201 1.00 0.00 C ATOM 1126 CG PHE A 76 -9.057 4.095 6.222 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -7.837 4.790 6.309 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -10.144 4.486 7.026 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -7.725 5.918 7.139 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -10.021 5.591 7.882 1.00 0.00 C ATOM 1131 CZ PHE A 76 -8.823 6.320 7.923 1.00 0.00 C ATOM 0 H PHE A 76 -9.882 1.061 3.944 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.623 1.580 5.478 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.736 3.301 4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.294 2.903 4.977 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.984 4.456 5.736 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.072 3.936 6.984 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.800 6.475 7.175 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.850 5.881 8.510 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.743 7.191 8.557 1.00 0.00 H new ATOM 1141 N GLU A 77 -10.246 0.881 7.320 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.725 0.486 8.640 1.00 0.00 C ATOM 1143 C GLU A 77 -10.014 -0.798 9.090 1.00 0.00 C ATOM 1144 O GLU A 77 -9.764 -0.999 10.278 1.00 0.00 O ATOM 1145 CB GLU A 77 -12.245 0.263 8.579 1.00 0.00 C ATOM 1146 CG GLU A 77 -13.040 1.520 8.172 1.00 0.00 C ATOM 1147 CD GLU A 77 -14.382 1.165 7.534 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -15.395 1.026 8.255 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -14.429 1.020 6.285 1.00 0.00 O ATOM 0 H GLU A 77 -10.977 0.844 6.610 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.507 1.273 9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.458 -0.536 7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.593 -0.076 9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.209 2.142 9.051 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.450 2.111 7.471 1.00 0.00 H new ATOM 1156 N THR A 78 -9.650 -1.659 8.141 1.00 0.00 N ATOM 1157 CA THR A 78 -8.932 -2.901 8.372 1.00 0.00 C ATOM 1158 C THR A 78 -7.421 -2.641 8.516 1.00 0.00 C ATOM 1159 O THR A 78 -6.732 -3.453 9.132 1.00 0.00 O ATOM 1160 CB THR A 78 -9.272 -3.907 7.241 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.594 -3.701 6.757 1.00 0.00 O ATOM 1162 CG2 THR A 78 -9.185 -5.347 7.748 1.00 0.00 C ATOM 0 H THR A 78 -9.857 -1.500 7.155 1.00 0.00 H new ATOM 0 HA THR A 78 -9.250 -3.346 9.315 1.00 0.00 H new ATOM 0 HB THR A 78 -8.548 -3.742 6.443 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.785 -4.345 6.044 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.428 -6.034 6.937 1.00 0.00 H new ATOM 0 HG22 THR A 78 -8.174 -5.547 8.103 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.891 -5.488 8.566 1.00 0.00 H new ATOM 1170 N LEU A 79 -6.896 -1.516 8.002 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.472 -1.175 8.110 1.00 0.00 C ATOM 1172 C LEU A 79 -5.160 -0.836 9.566 1.00 0.00 C ATOM 1173 O LEU A 79 -4.352 -1.493 10.212 1.00 0.00 O ATOM 1174 CB LEU A 79 -5.069 -0.010 7.164 1.00 0.00 C ATOM 1175 CG LEU A 79 -5.152 -0.327 5.652 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -4.838 0.892 4.758 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -4.267 -1.523 5.275 1.00 0.00 C ATOM 0 H LEU A 79 -7.448 -0.820 7.501 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.883 -2.036 7.794 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.710 0.846 7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.048 0.291 7.400 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.191 -0.595 5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.913 0.603 3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.551 1.690 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.828 1.245 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.352 -1.715 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.229 -1.300 5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.591 -2.404 5.829 1.00 0.00 H new ATOM 1189 N LYS A 80 -5.837 0.170 10.110 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.715 0.593 11.498 1.00 0.00 C ATOM 1191 C LYS A 80 -6.055 -0.516 12.492 1.00 0.00 C ATOM 1192 O LYS A 80 -5.416 -0.609 13.541 1.00 0.00 O ATOM 1193 CB LYS A 80 -6.560 1.852 11.704 1.00 0.00 C ATOM 1194 CG LYS A 80 -7.992 1.855 11.117 1.00 0.00 C ATOM 1195 CD LYS A 80 -8.444 3.242 10.628 1.00 0.00 C ATOM 1196 CE LYS A 80 -7.470 3.878 9.631 1.00 0.00 C ATOM 1197 NZ LYS A 80 -6.743 5.049 10.177 1.00 0.00 N ATOM 0 H LYS A 80 -6.505 0.729 9.580 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.671 0.829 11.702 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.635 2.035 12.776 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.018 2.695 11.274 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.039 1.151 10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.689 1.499 11.875 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.425 3.154 10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.558 3.903 11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.746 3.127 9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.022 4.185 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.901 5.873 9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.091 5.259 11.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.725 4.838 10.218 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.967 -1.419 12.132 1.00 0.00 N ATOM 1212 CA ALA A 81 -7.248 -2.622 12.904 1.00 0.00 C ATOM 1213 C ALA A 81 -6.055 -3.592 13.011 1.00 0.00 C ATOM 1214 O ALA A 81 -6.140 -4.548 13.786 1.00 0.00 O ATOM 1215 CB ALA A 81 -8.465 -3.338 12.323 1.00 0.00 C ATOM 0 H ALA A 81 -7.534 -1.332 11.289 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.454 -2.292 13.922 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.670 -4.237 12.904 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.330 -2.676 12.362 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.265 -3.614 11.288 1.00 0.00 H new ATOM 1221 N ALA A 82 -4.942 -3.390 12.298 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.684 -4.078 12.589 1.00 0.00 C ATOM 1223 C ALA A 82 -2.554 -3.057 12.785 1.00 0.00 C ATOM 1224 O ALA A 82 -1.390 -3.336 12.499 1.00 0.00 O ATOM 1225 CB ALA A 82 -3.408 -5.018 11.401 1.00 0.00 C ATOM 0 H ALA A 82 -4.890 -2.748 11.507 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.745 -4.653 13.513 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.476 -5.556 11.572 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.226 -5.732 11.304 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.326 -4.433 10.485 1.00 0.00 H new ATOM 1231 N GLY A 83 -2.873 -1.916 13.396 1.00 0.00 N ATOM 1232 CA GLY A 83 -1.989 -0.785 13.644 1.00 0.00 C ATOM 1233 C GLY A 83 -1.203 -0.255 12.446 1.00 0.00 C ATOM 1234 O GLY A 83 -0.214 0.460 12.614 1.00 0.00 O ATOM 0 H GLY A 83 -3.814 -1.750 13.752 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.587 0.032 14.048 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.277 -1.072 14.418 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.633 -0.556 11.227 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.780 -0.407 10.065 1.00 0.00 C ATOM 1240 C VAL A 84 -0.760 1.057 9.678 1.00 0.00 C ATOM 1241 O VAL A 84 -1.814 1.682 9.519 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.292 -1.311 8.929 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.284 -1.394 7.793 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.525 -2.741 9.425 1.00 0.00 C ATOM 0 H VAL A 84 -2.569 -0.905 11.022 1.00 0.00 H new ATOM 0 HA VAL A 84 0.242 -0.718 10.281 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.225 -0.867 8.581 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.675 -2.040 7.006 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.107 -0.397 7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.653 -1.805 8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.886 -3.357 8.602 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.589 -3.152 9.802 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.266 -2.733 10.224 1.00 0.00 H new ATOM 1254 N LYS A 85 0.445 1.598 9.497 1.00 0.00 N ATOM 1255 CA LYS A 85 0.599 2.981 9.082 1.00 0.00 C ATOM 1256 C LYS A 85 0.344 3.073 7.582 1.00 0.00 C ATOM 1257 O LYS A 85 0.300 2.053 6.888 1.00 0.00 O ATOM 1258 CB LYS A 85 2.014 3.475 9.423 1.00 0.00 C ATOM 1259 CG LYS A 85 1.994 4.531 10.534 1.00 0.00 C ATOM 1260 CD LYS A 85 3.423 4.885 10.966 1.00 0.00 C ATOM 1261 CE LYS A 85 3.388 5.518 12.362 1.00 0.00 C ATOM 1262 NZ LYS A 85 4.690 5.487 13.061 1.00 0.00 N ATOM 0 H LYS A 85 1.323 1.096 9.632 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.117 3.612 9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.629 2.631 9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.478 3.895 8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.482 5.427 10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.432 4.157 11.389 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.045 3.990 10.976 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.870 5.576 10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.057 6.553 12.274 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.647 4.997 12.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.592 5.931 13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.999 4.501 13.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.396 6.008 12.503 1.00 0.00 H new ATOM 1276 N VAL A 86 0.142 4.285 7.077 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.231 4.550 5.697 1.00 0.00 C ATOM 1278 C VAL A 86 0.331 5.939 5.387 1.00 0.00 C ATOM 1279 O VAL A 86 -0.083 6.920 6.001 1.00 0.00 O ATOM 1280 CB VAL A 86 -1.771 4.529 5.531 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.117 4.657 4.036 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.410 3.253 6.098 1.00 0.00 C ATOM 0 H VAL A 86 0.237 5.134 7.635 1.00 0.00 H new ATOM 0 HA VAL A 86 0.162 3.794 5.018 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.175 5.369 6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.200 4.643 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.719 5.595 3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.678 3.823 3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.490 3.292 5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.006 2.383 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.188 3.177 7.162 1.00 0.00 H new ATOM 1292 N TYR A 87 1.295 6.038 4.481 1.00 0.00 N ATOM 1293 CA TYR A 87 1.733 7.300 3.899 1.00 0.00 C ATOM 1294 C TYR A 87 0.911 7.620 2.662 1.00 0.00 C ATOM 1295 O TYR A 87 0.408 6.704 2.022 1.00 0.00 O ATOM 1296 CB TYR A 87 3.201 7.168 3.488 1.00 0.00 C ATOM 1297 CG TYR A 87 4.170 7.412 4.620 1.00 0.00 C ATOM 1298 CD1 TYR A 87 4.637 8.714 4.848 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.614 6.353 5.431 1.00 0.00 C ATOM 1300 CE1 TYR A 87 5.621 8.966 5.812 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.640 6.595 6.371 1.00 0.00 C ATOM 1302 CZ TYR A 87 6.162 7.898 6.560 1.00 0.00 C ATOM 1303 OH TYR A 87 7.150 8.129 7.476 1.00 0.00 O ATOM 0 H TYR A 87 1.803 5.229 4.124 1.00 0.00 H new ATOM 0 HA TYR A 87 1.607 8.096 4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.369 6.169 3.086 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.409 7.874 2.684 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.233 9.534 4.273 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.177 5.370 5.337 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.965 9.975 5.983 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.032 5.775 6.954 1.00 0.00 H new ATOM 0 HH TYR A 87 7.406 7.284 7.901 1.00 0.00 H new ATOM 1313 N ARG A 88 0.850 8.896 2.285 1.00 0.00 N ATOM 1314 CA ARG A 88 0.432 9.377 0.972 1.00 0.00 C ATOM 1315 C ARG A 88 1.625 9.211 0.032 1.00 0.00 C ATOM 1316 O ARG A 88 2.764 9.240 0.482 1.00 0.00 O ATOM 1317 CB ARG A 88 0.058 10.869 1.091 1.00 0.00 C ATOM 1318 CG ARG A 88 -0.567 11.508 -0.169 1.00 0.00 C ATOM 1319 CD ARG A 88 -2.051 11.859 -0.018 1.00 0.00 C ATOM 1320 NE ARG A 88 -2.491 12.776 -1.084 1.00 0.00 N ATOM 1321 CZ ARG A 88 -3.088 13.967 -0.944 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -3.487 14.404 0.246 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -3.258 14.746 -2.001 1.00 0.00 N ATOM 0 H ARG A 88 1.102 9.656 2.916 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.429 8.825 0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.642 10.984 1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.956 11.429 1.352 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.013 12.413 -0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.450 10.822 -1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.648 10.948 -0.049 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.222 12.319 0.955 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.321 12.468 -2.041 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.341 13.829 1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.940 15.314 0.330 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.935 14.439 -2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.712 15.653 -1.898 1.00 0.00 H new ATOM 1337 N PHE A 89 1.377 9.114 -1.269 1.00 0.00 N ATOM 1338 CA PHE A 89 2.334 9.399 -2.339 1.00 0.00 C ATOM 1339 C PHE A 89 1.542 10.180 -3.420 1.00 0.00 C ATOM 1340 O PHE A 89 0.332 10.352 -3.254 1.00 0.00 O ATOM 1341 CB PHE A 89 2.999 8.072 -2.776 1.00 0.00 C ATOM 1342 CG PHE A 89 2.706 7.624 -4.194 1.00 0.00 C ATOM 1343 CD1 PHE A 89 1.367 7.392 -4.562 1.00 0.00 C ATOM 1344 CD2 PHE A 89 3.725 7.451 -5.155 1.00 0.00 C ATOM 1345 CE1 PHE A 89 1.031 7.088 -5.890 1.00 0.00 C ATOM 1346 CE2 PHE A 89 3.375 7.165 -6.477 1.00 0.00 C ATOM 1347 CZ PHE A 89 2.033 7.007 -6.862 1.00 0.00 C ATOM 0 H PHE A 89 0.467 8.823 -1.625 1.00 0.00 H new ATOM 0 HA PHE A 89 3.177 10.029 -2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.078 8.174 -2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.680 7.285 -2.093 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.590 7.449 -3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.763 7.539 -4.872 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.000 6.917 -6.161 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.153 7.063 -7.219 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.779 6.825 -7.896 1.00 0.00 H new ATOM 1357 N GLU A 90 2.132 10.680 -4.517 1.00 0.00 N ATOM 1358 CA GLU A 90 1.338 11.358 -5.559 1.00 0.00 C ATOM 1359 C GLU A 90 1.914 11.246 -6.985 1.00 0.00 C ATOM 1360 O GLU A 90 1.757 12.158 -7.799 1.00 0.00 O ATOM 1361 CB GLU A 90 1.094 12.823 -5.121 1.00 0.00 C ATOM 1362 CG GLU A 90 -0.076 13.483 -5.865 1.00 0.00 C ATOM 1363 CD GLU A 90 -0.748 14.583 -5.050 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -1.569 14.251 -4.157 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -0.563 15.776 -5.364 1.00 0.00 O ATOM 0 H GLU A 90 3.133 10.631 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 90 0.385 10.835 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.897 12.848 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.000 13.404 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.286 13.902 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.814 12.723 -6.119 1.00 0.00 H new ATOM 1372 N GLY A 91 2.463 10.086 -7.344 1.00 0.00 N ATOM 1373 CA GLY A 91 2.897 9.796 -8.709 1.00 0.00 C ATOM 1374 C GLY A 91 4.367 9.419 -8.731 1.00 0.00 C ATOM 1375 O GLY A 91 5.215 10.184 -8.276 1.00 0.00 O ATOM 0 H GLY A 91 2.620 9.317 -6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.301 8.982 -9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.729 10.667 -9.343 1.00 0.00 H new ATOM 1379 N GLY A 92 4.685 8.238 -9.257 1.00 0.00 N ATOM 1380 CA GLY A 92 5.995 7.634 -9.092 1.00 0.00 C ATOM 1381 C GLY A 92 5.917 6.138 -9.364 1.00 0.00 C ATOM 1382 O GLY A 92 4.825 5.559 -9.332 1.00 0.00 O ATOM 0 H GLY A 92 4.037 7.676 -9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.707 8.099 -9.773 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.361 7.809 -8.080 1.00 0.00 H new ATOM 1386 N THR A 93 7.060 5.499 -9.589 1.00 0.00 N ATOM 1387 CA THR A 93 7.152 4.050 -9.628 1.00 0.00 C ATOM 1388 C THR A 93 7.252 3.488 -8.212 1.00 0.00 C ATOM 1389 O THR A 93 7.378 4.260 -7.258 1.00 0.00 O ATOM 1390 CB THR A 93 8.320 3.615 -10.520 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.577 3.880 -9.921 1.00 0.00 O ATOM 1392 CG2 THR A 93 8.209 4.209 -11.927 1.00 0.00 C ATOM 0 H THR A 93 7.948 5.975 -9.749 1.00 0.00 H new ATOM 0 HA THR A 93 6.244 3.639 -10.070 1.00 0.00 H new ATOM 0 HB THR A 93 8.254 2.532 -10.628 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.294 3.586 -10.521 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.055 3.878 -12.529 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.281 3.875 -12.391 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.212 5.297 -11.864 1.00 0.00 H new ATOM 1400 N VAL A 94 7.187 2.156 -8.047 1.00 0.00 N ATOM 1401 CA VAL A 94 7.424 1.505 -6.764 1.00 0.00 C ATOM 1402 C VAL A 94 8.611 2.171 -6.058 1.00 0.00 C ATOM 1403 O VAL A 94 8.476 2.502 -4.886 1.00 0.00 O ATOM 1404 CB VAL A 94 7.669 -0.006 -6.919 1.00 0.00 C ATOM 1405 CG1 VAL A 94 7.840 -0.669 -5.551 1.00 0.00 C ATOM 1406 CG2 VAL A 94 6.740 -0.875 -7.755 1.00 0.00 C ATOM 0 H VAL A 94 6.968 1.508 -8.804 1.00 0.00 H new ATOM 0 HA VAL A 94 6.526 1.623 -6.158 1.00 0.00 H new ATOM 0 HB VAL A 94 8.571 0.024 -7.530 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.012 -1.737 -5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.692 -0.225 -5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.938 -0.518 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 94 7.090 -1.907 -7.733 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.730 -0.826 -7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.734 -0.516 -8.784 1.00 0.00 H new ATOM 1416 N GLN A 95 9.734 2.388 -6.756 1.00 0.00 N ATOM 1417 CA GLN A 95 10.935 2.952 -6.149 1.00 0.00 C ATOM 1418 C GLN A 95 10.760 4.363 -5.587 1.00 0.00 C ATOM 1419 O GLN A 95 11.345 4.674 -4.555 1.00 0.00 O ATOM 1420 CB GLN A 95 12.108 2.901 -7.150 1.00 0.00 C ATOM 1421 CG GLN A 95 13.460 2.597 -6.478 1.00 0.00 C ATOM 1422 CD GLN A 95 14.213 3.844 -6.026 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.690 4.608 -6.861 1.00 0.00 O ATOM 1424 NE2 GLN A 95 14.397 4.036 -4.732 1.00 0.00 N ATOM 0 H GLN A 95 9.830 2.178 -7.749 1.00 0.00 H new ATOM 0 HA GLN A 95 11.155 2.327 -5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 95 11.903 2.140 -7.903 1.00 0.00 H new ATOM 0 HB3 GLN A 95 12.175 3.855 -7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.290 1.953 -5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 95 14.085 2.038 -7.175 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.991 3.388 -4.057 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.945 4.833 -4.408 1.00 0.00 H new ATOM 1433 N GLU A 96 9.955 5.206 -6.222 1.00 0.00 N ATOM 1434 CA GLU A 96 9.717 6.588 -5.843 1.00 0.00 C ATOM 1435 C GLU A 96 8.967 6.605 -4.533 1.00 0.00 C ATOM 1436 O GLU A 96 9.361 7.328 -3.633 1.00 0.00 O ATOM 1437 CB GLU A 96 8.830 7.254 -6.893 1.00 0.00 C ATOM 1438 CG GLU A 96 9.475 7.444 -8.264 1.00 0.00 C ATOM 1439 CD GLU A 96 10.717 8.334 -8.293 1.00 0.00 C ATOM 1440 OE1 GLU A 96 10.685 9.462 -7.743 1.00 0.00 O ATOM 1441 OE2 GLU A 96 11.654 7.975 -9.037 1.00 0.00 O ATOM 0 H GLU A 96 9.429 4.930 -7.051 1.00 0.00 H new ATOM 0 HA GLU A 96 10.669 7.113 -5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.927 6.656 -7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.519 8.229 -6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.743 6.464 -8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.732 7.867 -8.940 1.00 0.00 H new ATOM 1448 N ALA A 97 7.931 5.768 -4.389 1.00 0.00 N ATOM 1449 CA ALA A 97 7.256 5.590 -3.122 1.00 0.00 C ATOM 1450 C ALA A 97 8.247 5.358 -1.966 1.00 0.00 C ATOM 1451 O ALA A 97 7.962 5.750 -0.841 1.00 0.00 O ATOM 1452 CB ALA A 97 6.237 4.454 -3.301 1.00 0.00 C ATOM 0 H ALA A 97 7.549 5.205 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 97 6.727 6.499 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.706 4.290 -2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.523 4.725 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.757 3.540 -3.588 1.00 0.00 H new ATOM 1458 N ILE A 98 9.403 4.748 -2.220 1.00 0.00 N ATOM 1459 CA ILE A 98 10.388 4.360 -1.212 1.00 0.00 C ATOM 1460 C ILE A 98 11.373 5.479 -1.047 1.00 0.00 C ATOM 1461 O ILE A 98 11.556 5.874 0.088 1.00 0.00 O ATOM 1462 CB ILE A 98 11.177 3.090 -1.593 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.296 2.096 -2.320 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.868 2.449 -0.381 1.00 0.00 C ATOM 1465 CD1 ILE A 98 9.023 1.692 -1.570 1.00 0.00 C ATOM 0 H ILE A 98 9.690 4.501 -3.167 1.00 0.00 H new ATOM 0 HA ILE A 98 9.839 4.151 -0.294 1.00 0.00 H new ATOM 0 HB ILE A 98 11.968 3.398 -2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.013 2.520 -3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.879 1.198 -2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.410 1.559 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.566 3.161 0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.119 2.171 0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.458 0.978 -2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.291 1.234 -0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.412 2.576 -1.388 1.00 0.00 H new ATOM 1477 N ASP A 99 11.987 5.973 -2.126 1.00 0.00 N ATOM 1478 CA ASP A 99 12.969 7.051 -2.060 1.00 0.00 C ATOM 1479 C ASP A 99 12.325 8.267 -1.414 1.00 0.00 C ATOM 1480 O ASP A 99 12.950 8.986 -0.638 1.00 0.00 O ATOM 1481 CB ASP A 99 13.544 7.390 -3.449 1.00 0.00 C ATOM 1482 CG ASP A 99 15.072 7.318 -3.439 1.00 0.00 C ATOM 1483 OD1 ASP A 99 15.595 6.176 -3.418 1.00 0.00 O ATOM 1484 OD2 ASP A 99 15.755 8.369 -3.426 1.00 0.00 O ATOM 0 H ASP A 99 11.814 5.633 -3.072 1.00 0.00 H new ATOM 0 HA ASP A 99 13.812 6.723 -1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.148 6.696 -4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.225 8.389 -3.745 1.00 0.00 H new ATOM 1489 N ALA A 100 11.026 8.448 -1.664 1.00 0.00 N ATOM 1490 CA ALA A 100 10.289 9.578 -1.139 1.00 0.00 C ATOM 1491 C ALA A 100 10.141 9.383 0.371 1.00 0.00 C ATOM 1492 O ALA A 100 10.534 10.238 1.158 1.00 0.00 O ATOM 1493 CB ALA A 100 8.954 9.694 -1.886 1.00 0.00 C ATOM 0 H ALA A 100 10.466 7.814 -2.234 1.00 0.00 H new ATOM 0 HA ALA A 100 10.809 10.523 -1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.392 10.543 -1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.144 9.841 -2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.377 8.781 -1.743 1.00 0.00 H new ATOM 1499 N PHE A 101 9.609 8.232 0.787 1.00 0.00 N ATOM 1500 CA PHE A 101 9.447 7.854 2.188 1.00 0.00 C ATOM 1501 C PHE A 101 10.775 7.879 2.942 1.00 0.00 C ATOM 1502 O PHE A 101 10.849 8.355 4.077 1.00 0.00 O ATOM 1503 CB PHE A 101 8.782 6.470 2.221 1.00 0.00 C ATOM 1504 CG PHE A 101 9.067 5.546 3.394 1.00 0.00 C ATOM 1505 CD1 PHE A 101 10.269 4.811 3.441 1.00 0.00 C ATOM 1506 CD2 PHE A 101 8.092 5.325 4.383 1.00 0.00 C ATOM 1507 CE1 PHE A 101 10.544 3.965 4.531 1.00 0.00 C ATOM 1508 CE2 PHE A 101 8.335 4.421 5.435 1.00 0.00 C ATOM 1509 CZ PHE A 101 9.577 3.769 5.530 1.00 0.00 C ATOM 0 H PHE A 101 9.271 7.520 0.140 1.00 0.00 H new ATOM 0 HA PHE A 101 8.814 8.578 2.702 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.704 6.621 2.175 1.00 0.00 H new ATOM 0 HB3 PHE A 101 9.069 5.945 1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 101 10.983 4.898 2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 101 7.151 5.852 4.335 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.499 3.466 4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.567 4.228 6.169 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.786 3.120 6.368 1.00 0.00 H new ATOM 1519 N SER A 102 11.808 7.315 2.335 1.00 0.00 N ATOM 1520 CA SER A 102 13.089 7.060 2.961 1.00 0.00 C ATOM 1521 C SER A 102 13.711 8.390 3.316 1.00 0.00 C ATOM 1522 O SER A 102 14.167 8.564 4.447 1.00 0.00 O ATOM 1523 CB SER A 102 13.968 6.159 2.081 1.00 0.00 C ATOM 1524 OG SER A 102 14.581 6.750 0.956 1.00 0.00 O ATOM 0 H SER A 102 11.773 7.014 1.361 1.00 0.00 H new ATOM 0 HA SER A 102 12.969 6.496 3.886 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.752 5.737 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.356 5.327 1.733 1.00 0.00 H new ATOM 0 HG SER A 102 13.982 7.424 0.573 1.00 0.00 H new ATOM 1530 N GLU A 103 13.616 9.368 2.415 1.00 0.00 N ATOM 1531 CA GLU A 103 14.119 10.691 2.708 1.00 0.00 C ATOM 1532 C GLU A 103 13.009 11.590 3.243 1.00 0.00 C ATOM 1533 O GLU A 103 13.102 12.815 3.154 1.00 0.00 O ATOM 1534 CB GLU A 103 14.681 11.254 1.398 1.00 0.00 C ATOM 1535 CG GLU A 103 15.693 10.338 0.684 1.00 0.00 C ATOM 1536 CD GLU A 103 16.941 11.137 0.337 1.00 0.00 C ATOM 1537 OE1 GLU A 103 16.831 12.097 -0.453 1.00 0.00 O ATOM 1538 OE2 GLU A 103 18.033 10.866 0.898 1.00 0.00 O ATOM 0 H GLU A 103 13.199 9.262 1.490 1.00 0.00 H new ATOM 0 HA GLU A 103 14.890 10.646 3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.852 11.455 0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.161 12.210 1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.954 9.496 1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.250 9.924 -0.221 1.00 0.00 H new ATOM 1545 N GLY A 104 12.095 11.012 4.019 1.00 0.00 N ATOM 1546 CA GLY A 104 11.063 11.704 4.761 1.00 0.00 C ATOM 1547 C GLY A 104 10.104 12.572 3.944 1.00 0.00 C ATOM 1548 O GLY A 104 9.278 13.255 4.554 1.00 0.00 O ATOM 0 H GLY A 104 12.059 10.001 4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.476 10.962 5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.544 12.336 5.507 1.00 0.00 H new ATOM 1552 N ARG A 105 10.148 12.544 2.612 1.00 0.00 N ATOM 1553 CA ARG A 105 9.376 13.420 1.741 1.00 0.00 C ATOM 1554 C ARG A 105 7.978 12.871 1.469 1.00 0.00 C ATOM 1555 O ARG A 105 7.457 13.101 0.375 1.00 0.00 O ATOM 1556 CB ARG A 105 10.067 13.489 0.366 1.00 0.00 C ATOM 1557 CG ARG A 105 11.567 13.786 0.335 1.00 0.00 C ATOM 1558 CD ARG A 105 12.102 13.779 -1.105 1.00 0.00 C ATOM 1559 NE ARG A 105 12.199 15.137 -1.661 1.00 0.00 N ATOM 1560 CZ ARG A 105 11.607 15.641 -2.749 1.00 0.00 C ATOM 1561 NH1 ARG A 105 10.702 14.970 -3.450 1.00 0.00 N ATOM 1562 NH2 ARG A 105 11.913 16.873 -3.124 1.00 0.00 N ATOM 0 H ARG A 105 10.740 11.891 2.098 1.00 0.00 H new ATOM 0 HA ARG A 105 9.310 14.387 2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 105 9.904 12.537 -0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.562 14.254 -0.224 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.758 14.757 0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 105 12.100 13.043 0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.085 13.308 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.446 13.176 -1.733 1.00 0.00 H new ATOM 0 HE ARG A 105 12.799 15.782 -1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 105 10.431 14.029 -3.165 1.00 0.00 H new ATOM 0 HH12 ARG A 105 10.277 15.396 -4.274 1.00 0.00 H new ATOM 0 HH21 ARG A 105 12.588 17.417 -2.586 1.00 0.00 H new ATOM 0 HH22 ARG A 105 11.474 17.278 -3.951 1.00 0.00 H new ATOM 1576 N LEU A 106 7.313 12.237 2.429 1.00 0.00 N ATOM 1577 CA LEU A 106 5.944 11.788 2.234 1.00 0.00 C ATOM 1578 C LEU A 106 5.108 12.238 3.431 1.00 0.00 C ATOM 1579 O LEU A 106 5.646 12.695 4.441 1.00 0.00 O ATOM 1580 CB LEU A 106 5.897 10.258 2.011 1.00 0.00 C ATOM 1581 CG LEU A 106 6.404 9.732 0.650 1.00 0.00 C ATOM 1582 CD1 LEU A 106 6.009 8.255 0.526 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.783 10.408 -0.588 1.00 0.00 C ATOM 0 H LEU A 106 7.701 12.024 3.348 1.00 0.00 H new ATOM 0 HA LEU A 106 5.521 12.236 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.483 9.783 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.866 9.929 2.139 1.00 0.00 H new ATOM 0 HG LEU A 106 7.476 9.931 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.358 7.864 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.463 7.687 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.924 8.163 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.204 9.969 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.703 10.259 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.002 11.476 -0.568 1.00 0.00 H new ATOM 1595 N GLU A 107 3.789 12.094 3.342 1.00 0.00 N ATOM 1596 CA GLU A 107 2.826 12.600 4.324 1.00 0.00 C ATOM 1597 C GLU A 107 2.211 11.388 5.009 1.00 0.00 C ATOM 1598 O GLU A 107 1.948 10.404 4.321 1.00 0.00 O ATOM 1599 CB GLU A 107 1.708 13.418 3.644 1.00 0.00 C ATOM 1600 CG GLU A 107 2.111 14.134 2.352 1.00 0.00 C ATOM 1601 CD GLU A 107 3.291 15.086 2.517 1.00 0.00 C ATOM 1602 OE1 GLU A 107 3.310 15.896 3.464 1.00 0.00 O ATOM 1603 OE2 GLU A 107 4.181 15.050 1.635 1.00 0.00 O ATOM 0 H GLU A 107 3.344 11.608 2.563 1.00 0.00 H new ATOM 0 HA GLU A 107 3.332 13.256 5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.875 12.750 3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.343 14.161 4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.361 13.388 1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.255 14.694 1.976 1.00 0.00 H new ATOM 1610 N GLU A 108 1.941 11.428 6.311 1.00 0.00 N ATOM 1611 CA GLU A 108 1.256 10.336 6.985 1.00 0.00 C ATOM 1612 C GLU A 108 -0.240 10.493 6.733 1.00 0.00 C ATOM 1613 O GLU A 108 -0.910 11.380 7.276 1.00 0.00 O ATOM 1614 CB GLU A 108 1.599 10.288 8.476 1.00 0.00 C ATOM 1615 CG GLU A 108 1.085 8.955 9.037 1.00 0.00 C ATOM 1616 CD GLU A 108 1.511 8.627 10.469 1.00 0.00 C ATOM 1617 OE1 GLU A 108 2.594 9.075 10.921 1.00 0.00 O ATOM 1618 OE2 GLU A 108 0.776 7.894 11.161 1.00 0.00 O ATOM 0 H GLU A 108 2.188 12.209 6.919 1.00 0.00 H new ATOM 0 HA GLU A 108 1.589 9.379 6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.676 10.373 8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.138 11.125 9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.004 8.960 8.994 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.426 8.152 8.384 1.00 0.00 H new ATOM 1625 N LEU A 109 -0.767 9.623 5.875 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.166 9.557 5.501 1.00 0.00 C ATOM 1627 C LEU A 109 -2.929 8.712 6.525 1.00 0.00 C ATOM 1628 O LEU A 109 -3.580 7.726 6.184 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.279 9.075 4.047 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.597 9.526 3.401 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -3.704 11.048 3.229 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -3.796 8.834 2.063 1.00 0.00 C ATOM 0 H LEU A 109 -0.201 8.917 5.404 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.637 10.540 5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.439 9.461 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.213 7.987 4.018 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.390 9.234 4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.660 11.296 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.637 11.530 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.892 11.400 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.735 9.165 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.971 9.085 1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.826 7.755 2.212 1.00 0.00 H new ATOM 1644 N THR A 110 -2.843 9.054 7.814 1.00 0.00 N ATOM 1645 CA THR A 110 -3.436 8.215 8.861 1.00 0.00 C ATOM 1646 C THR A 110 -4.910 8.597 9.128 1.00 0.00 C ATOM 1647 O THR A 110 -5.409 8.397 10.236 1.00 0.00 O ATOM 1648 CB THR A 110 -2.513 8.082 10.083 1.00 0.00 C ATOM 1649 OG1 THR A 110 -3.065 7.283 11.120 1.00 0.00 O ATOM 1650 CG2 THR A 110 -2.280 9.468 10.592 1.00 0.00 C ATOM 0 H THR A 110 -2.375 9.894 8.155 1.00 0.00 H new ATOM 0 HA THR A 110 -3.508 7.187 8.505 1.00 0.00 H new ATOM 0 HB THR A 110 -1.593 7.583 9.779 1.00 0.00 H new ATOM 0 HG1 THR A 110 -4.024 7.469 11.202 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.627 9.430 11.464 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.810 10.068 9.813 1.00 0.00 H new ATOM 0 HG23 THR A 110 -3.233 9.918 10.871 1.00 0.00 H new ATOM 1658 N THR A 111 -5.677 8.983 8.100 1.00 0.00 N ATOM 1659 CA THR A 111 -6.962 9.683 8.229 1.00 0.00 C ATOM 1660 C THR A 111 -7.377 10.168 6.830 1.00 0.00 C ATOM 1661 O THR A 111 -7.075 11.284 6.394 1.00 0.00 O ATOM 1662 CB THR A 111 -6.929 10.756 9.355 1.00 0.00 C ATOM 1663 OG1 THR A 111 -8.098 11.550 9.449 1.00 0.00 O ATOM 1664 CG2 THR A 111 -5.721 11.694 9.308 1.00 0.00 C ATOM 0 H THR A 111 -5.414 8.812 7.129 1.00 0.00 H new ATOM 0 HA THR A 111 -7.752 9.016 8.574 1.00 0.00 H new ATOM 0 HB THR A 111 -6.855 10.130 10.245 1.00 0.00 H new ATOM 0 HG1 THR A 111 -7.997 12.196 10.179 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.782 12.408 10.130 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.804 11.112 9.401 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.715 12.232 8.360 1.00 0.00 H new ATOM 1672 N PHE A 112 -8.021 9.274 6.079 1.00 0.00 N ATOM 1673 CA PHE A 112 -8.525 9.486 4.728 1.00 0.00 C ATOM 1674 C PHE A 112 -9.652 8.466 4.495 1.00 0.00 C ATOM 1675 O PHE A 112 -9.859 7.586 5.328 1.00 0.00 O ATOM 1676 CB PHE A 112 -7.399 9.355 3.703 1.00 0.00 C ATOM 1677 CG PHE A 112 -6.858 7.963 3.486 1.00 0.00 C ATOM 1678 CD1 PHE A 112 -6.109 7.318 4.486 1.00 0.00 C ATOM 1679 CD2 PHE A 112 -7.024 7.350 2.237 1.00 0.00 C ATOM 1680 CE1 PHE A 112 -5.498 6.080 4.238 1.00 0.00 C ATOM 1681 CE2 PHE A 112 -6.392 6.125 1.996 1.00 0.00 C ATOM 1682 CZ PHE A 112 -5.639 5.476 2.984 1.00 0.00 C ATOM 0 H PHE A 112 -8.214 8.332 6.419 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.920 10.495 4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -7.759 9.736 2.747 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -6.576 9.999 4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -6.003 7.781 5.456 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -7.630 7.815 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.921 5.595 5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.487 5.667 1.022 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.174 4.523 2.780 1.00 0.00 H new ATOM 1692 N THR A 113 -10.402 8.588 3.404 1.00 0.00 N ATOM 1693 CA THR A 113 -11.540 7.734 3.047 1.00 0.00 C ATOM 1694 C THR A 113 -11.728 7.820 1.528 1.00 0.00 C ATOM 1695 O THR A 113 -11.156 8.713 0.888 1.00 0.00 O ATOM 1696 CB THR A 113 -12.834 8.202 3.759 1.00 0.00 C ATOM 1697 OG1 THR A 113 -12.803 9.602 3.980 1.00 0.00 O ATOM 1698 CG2 THR A 113 -13.057 7.538 5.123 1.00 0.00 C ATOM 0 H THR A 113 -10.229 9.316 2.711 1.00 0.00 H new ATOM 0 HA THR A 113 -11.342 6.709 3.361 1.00 0.00 H new ATOM 0 HB THR A 113 -13.646 7.914 3.091 1.00 0.00 H new ATOM 0 HG1 THR A 113 -13.628 9.881 4.429 1.00 0.00 H new ATOM 0 HG21 THR A 113 -13.981 7.913 5.563 1.00 0.00 H new ATOM 0 HG22 THR A 113 -13.128 6.458 4.995 1.00 0.00 H new ATOM 0 HG23 THR A 113 -12.220 7.771 5.782 1.00 0.00 H new ATOM 1706 N ARG A 114 -12.554 6.956 0.932 1.00 0.00 N ATOM 1707 CA ARG A 114 -13.081 7.214 -0.406 1.00 0.00 C ATOM 1708 C ARG A 114 -14.488 6.654 -0.508 1.00 0.00 C ATOM 1709 O ARG A 114 -14.979 6.036 0.430 1.00 0.00 O ATOM 1710 CB ARG A 114 -12.104 6.658 -1.466 1.00 0.00 C ATOM 1711 CG ARG A 114 -12.220 7.270 -2.873 1.00 0.00 C ATOM 1712 CD ARG A 114 -12.174 8.807 -2.850 1.00 0.00 C ATOM 1713 NE ARG A 114 -12.056 9.380 -4.204 1.00 0.00 N ATOM 1714 CZ ARG A 114 -11.454 10.538 -4.527 1.00 0.00 C ATOM 1715 NH1 ARG A 114 -11.010 11.387 -3.605 1.00 0.00 N ATOM 1716 NH2 ARG A 114 -11.301 10.859 -5.804 1.00 0.00 N ATOM 0 H ARG A 114 -12.868 6.081 1.351 1.00 0.00 H new ATOM 0 HA ARG A 114 -13.159 8.284 -0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.086 6.809 -1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -12.258 5.582 -1.545 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -11.409 6.894 -3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -13.153 6.944 -3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -13.077 9.189 -2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -11.330 9.135 -2.244 1.00 0.00 H new ATOM 0 HE ARG A 114 -12.471 8.847 -4.968 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -11.121 11.169 -2.615 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -10.558 12.257 -3.888 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -11.639 10.230 -6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -10.846 11.735 -6.059 1.00 0.00 H new ATOM 1730 N GLU A 115 -15.190 6.937 -1.596 1.00 0.00 N ATOM 1731 CA GLU A 115 -16.530 6.419 -1.843 1.00 0.00 C ATOM 1732 C GLU A 115 -16.823 6.365 -3.340 1.00 0.00 C ATOM 1733 O GLU A 115 -17.881 6.801 -3.798 1.00 0.00 O ATOM 1734 CB GLU A 115 -17.575 7.187 -1.018 1.00 0.00 C ATOM 1735 CG GLU A 115 -17.598 8.713 -1.235 1.00 0.00 C ATOM 1736 CD GLU A 115 -18.482 9.415 -0.200 1.00 0.00 C ATOM 1737 OE1 GLU A 115 -18.437 9.017 0.990 1.00 0.00 O ATOM 1738 OE2 GLU A 115 -19.211 10.366 -0.564 1.00 0.00 O ATOM 0 H GLU A 115 -14.842 7.540 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 115 -16.590 5.387 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -18.562 6.789 -1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -17.395 6.990 0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -16.583 9.105 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -17.965 8.933 -2.237 1.00 0.00 H new ATOM 1745 N GLY A 116 -15.869 5.822 -4.094 1.00 0.00 N ATOM 1746 CA GLY A 116 -16.144 5.253 -5.400 1.00 0.00 C ATOM 1747 C GLY A 116 -16.093 3.743 -5.252 1.00 0.00 C ATOM 1748 O GLY A 116 -16.106 3.231 -4.110 1.00 0.00 O ATOM 0 H GLY A 116 -14.890 5.767 -3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -17.122 5.571 -5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -15.410 5.593 -6.130 1.00 0.00 H new TER 1752 GLY A 116