USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1040 hydrogens (8 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: B 19 LYS NZ :NH3+ 140:sc= 0.694 (180deg=-0.129) USER MOD Set 1.2: B 62 TYR OH : rot 180:sc= 0.26 USER MOD Set 2.1: B 44 THR OG1 : rot 147:sc= 1.24 USER MOD Set 2.2: B 47 SER OG : rot -78:sc= 0.585! USER MOD Set 3.1: A 44 THR OG1 : rot 147:sc= 1.23 USER MOD Set 3.2: A 47 SER OG : rot -79:sc= 0.478! USER MOD Set 4.1: A 19 LYS NZ :NH3+ 146:sc= 0.716 (180deg=-0.119) USER MOD Set 4.2: A 62 TYR OH : rot 180:sc= 0.488 USER MOD Single : A 1 ALA N :NH3+ -114:sc= -1 (180deg=-3.42!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -32:sc= -0.269 USER MOD Single : A 14 SER OG : rot -87:sc= 1.65 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.285! USER MOD Single : A 23 ASN : amide:sc= -0.615 X(o=-0.61,f=-0.41) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 47:sc= -0.532 USER MOD Single : A 32 SER OG : rot 140:sc= 0.299 USER MOD Single : A 33 SER OG : rot 180:sc= -0.142 USER MOD Single : A 36 SER OG : rot -49:sc= 0.629 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 43 GLN : amide:sc= -2.99! K(o=-3!,f=-1.3) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.118) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc=-0.00502 (180deg=-0.194) USER MOD Single : A 49 GLN : amide:sc= -0.712 K(o=-0.71,f=-4.5!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : B 1 ALA N :NH3+ -120:sc= -1.09 (180deg=-3.51!) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 167:sc= -0.535 USER MOD Single : B 14 SER OG : rot -120:sc= 1.36 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 47:sc= 0.309! USER MOD Single : B 23 ASN : amide:sc= -0.75 X(o=-0.75,f=-0.45) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 29:sc= -0.432 USER MOD Single : B 32 SER OG : rot 140:sc= 0.378 USER MOD Single : B 33 SER OG : rot 180:sc= -0.135 USER MOD Single : B 36 SER OG : rot -52:sc= 0.635 USER MOD Single : B 37 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : B 43 GLN : amide:sc= -2.9! K(o=-2.9!,f=-1.3) USER MOD Single : B 45 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.121) USER MOD Single : B 48 LYS NZ :NH3+ -162:sc= -0.0121 (180deg=-0.201) USER MOD Single : B 49 GLN : amide:sc= -0.717 K(o=-0.72,f=-4.5!) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.855 15.613 -14.006 1.00 0.00 N ATOM 2 CA ALA A 1 -8.159 14.602 -13.161 1.00 0.00 C ATOM 3 C ALA A 1 -8.493 14.847 -11.682 1.00 0.00 C ATOM 4 O ALA A 1 -7.627 15.227 -10.919 1.00 0.00 O ATOM 5 CB ALA A 1 -6.649 14.729 -13.365 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.566 15.139 -14.599 1.00 0.00 H new ATOM 0 H2 ALA A 1 -9.324 16.312 -13.395 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.162 16.094 -14.614 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.488 13.603 -13.446 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.135 13.991 -12.749 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.408 14.557 -14.414 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.326 15.730 -13.078 1.00 0.00 H new ATOM 13 N PRO A 2 -9.737 14.628 -11.310 1.00 0.00 N ATOM 14 CA PRO A 2 -10.169 14.835 -9.914 1.00 0.00 C ATOM 15 C PRO A 2 -9.400 13.883 -8.985 1.00 0.00 C ATOM 16 O PRO A 2 -9.040 12.786 -9.364 1.00 0.00 O ATOM 17 CB PRO A 2 -11.688 14.527 -9.916 1.00 0.00 C ATOM 18 CG PRO A 2 -12.083 14.130 -11.369 1.00 0.00 C ATOM 19 CD PRO A 2 -10.800 14.167 -12.230 1.00 0.00 C ATOM 0 HA PRO A 2 -9.972 15.845 -9.553 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.916 13.718 -9.222 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.256 15.398 -9.588 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.527 13.135 -11.386 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -12.829 14.819 -11.765 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.570 13.183 -12.638 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.912 14.845 -13.076 1.00 0.00 H new ATOM 27 N MET A 3 -9.149 14.297 -7.773 1.00 0.00 N ATOM 28 CA MET A 3 -8.406 13.421 -6.824 1.00 0.00 C ATOM 29 C MET A 3 -9.359 12.372 -6.245 1.00 0.00 C ATOM 30 O MET A 3 -10.474 12.675 -5.869 1.00 0.00 O ATOM 31 CB MET A 3 -7.833 14.271 -5.688 1.00 0.00 C ATOM 32 CG MET A 3 -6.787 13.462 -4.919 1.00 0.00 C ATOM 33 SD MET A 3 -5.269 13.352 -5.900 1.00 0.00 S ATOM 34 CE MET A 3 -4.106 13.293 -4.515 1.00 0.00 C ATOM 0 H MET A 3 -9.427 15.204 -7.399 1.00 0.00 H new ATOM 0 HA MET A 3 -7.593 12.922 -7.351 1.00 0.00 H new ATOM 0 HB2 MET A 3 -7.382 15.178 -6.091 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.632 14.584 -5.016 1.00 0.00 H new ATOM 0 HG2 MET A 3 -6.579 13.935 -3.959 1.00 0.00 H new ATOM 0 HG3 MET A 3 -7.168 12.463 -4.706 1.00 0.00 H new ATOM 0 HE1 MET A 3 -3.088 13.222 -4.898 1.00 0.00 H new ATOM 0 HE2 MET A 3 -4.207 14.198 -3.916 1.00 0.00 H new ATOM 0 HE3 MET A 3 -4.322 12.423 -3.895 1.00 0.00 H new ATOM 44 N GLY A 4 -8.931 11.141 -6.170 1.00 0.00 N ATOM 45 CA GLY A 4 -9.817 10.079 -5.614 1.00 0.00 C ATOM 46 C GLY A 4 -10.340 10.518 -4.245 1.00 0.00 C ATOM 47 O GLY A 4 -10.048 11.603 -3.780 1.00 0.00 O ATOM 0 H GLY A 4 -8.008 10.825 -6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.650 9.894 -6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.267 9.142 -5.522 1.00 0.00 H new ATOM 51 N SER A 5 -11.117 9.691 -3.593 1.00 0.00 N ATOM 52 CA SER A 5 -11.661 10.071 -2.256 1.00 0.00 C ATOM 53 C SER A 5 -10.661 9.673 -1.155 1.00 0.00 C ATOM 54 O SER A 5 -10.108 10.514 -0.475 1.00 0.00 O ATOM 55 CB SER A 5 -13.019 9.379 -2.044 1.00 0.00 C ATOM 56 OG SER A 5 -14.002 10.366 -1.763 1.00 0.00 O ATOM 0 H SER A 5 -11.398 8.770 -3.929 1.00 0.00 H new ATOM 0 HA SER A 5 -11.808 11.150 -2.208 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.297 8.814 -2.934 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.954 8.667 -1.221 1.00 0.00 H new ATOM 0 HG SER A 5 -14.871 9.933 -1.628 1.00 0.00 H new ATOM 62 N ASP A 6 -10.424 8.398 -0.977 1.00 0.00 N ATOM 63 CA ASP A 6 -9.459 7.956 0.078 1.00 0.00 C ATOM 64 C ASP A 6 -8.928 6.554 -0.260 1.00 0.00 C ATOM 65 O ASP A 6 -9.255 5.599 0.418 1.00 0.00 O ATOM 66 CB ASP A 6 -10.166 7.912 1.444 1.00 0.00 C ATOM 67 CG ASP A 6 -9.121 7.895 2.562 1.00 0.00 C ATOM 68 OD1 ASP A 6 -8.218 8.713 2.514 1.00 0.00 O ATOM 69 OD2 ASP A 6 -9.243 7.064 3.447 1.00 0.00 O ATOM 0 H ASP A 6 -10.855 7.645 -1.514 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.629 8.662 0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.818 8.778 1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.798 7.026 1.509 1.00 0.00 H new ATOM 74 N PRO A 7 -8.128 6.457 -1.301 1.00 0.00 N ATOM 75 CA PRO A 7 -7.566 5.158 -1.720 1.00 0.00 C ATOM 76 C PRO A 7 -6.613 4.619 -0.627 1.00 0.00 C ATOM 77 O PRO A 7 -6.254 5.346 0.278 1.00 0.00 O ATOM 78 CB PRO A 7 -6.808 5.461 -3.036 1.00 0.00 C ATOM 79 CG PRO A 7 -6.908 6.995 -3.293 1.00 0.00 C ATOM 80 CD PRO A 7 -7.728 7.610 -2.136 1.00 0.00 C ATOM 0 HA PRO A 7 -8.328 4.393 -1.868 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.765 5.153 -2.957 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.243 4.904 -3.866 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.915 7.441 -3.338 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.390 7.192 -4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.133 8.324 -1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.599 8.148 -2.511 1.00 0.00 H new ATOM 88 N PRO A 8 -6.224 3.363 -0.744 1.00 0.00 N ATOM 89 CA PRO A 8 -5.309 2.738 0.236 1.00 0.00 C ATOM 90 C PRO A 8 -3.950 3.459 0.219 1.00 0.00 C ATOM 91 O PRO A 8 -3.840 4.589 -0.213 1.00 0.00 O ATOM 92 CB PRO A 8 -5.168 1.269 -0.236 1.00 0.00 C ATOM 93 CG PRO A 8 -5.892 1.151 -1.607 1.00 0.00 C ATOM 94 CD PRO A 8 -6.660 2.471 -1.840 1.00 0.00 C ATOM 0 HA PRO A 8 -5.681 2.798 1.259 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.117 0.996 -0.332 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.610 0.588 0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.172 0.979 -2.407 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.577 0.303 -1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.425 2.898 -2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.738 2.311 -1.814 1.00 0.00 H new ATOM 102 N THR A 9 -2.918 2.805 0.684 1.00 0.00 N ATOM 103 CA THR A 9 -1.568 3.438 0.695 1.00 0.00 C ATOM 104 C THR A 9 -0.494 2.352 0.711 1.00 0.00 C ATOM 105 O THR A 9 -0.488 1.479 1.556 1.00 0.00 O ATOM 106 CB THR A 9 -1.422 4.311 1.942 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.586 5.110 2.099 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.193 5.213 1.798 1.00 0.00 C ATOM 0 H THR A 9 -2.953 1.857 1.058 1.00 0.00 H new ATOM 0 HA THR A 9 -1.452 4.053 -0.197 1.00 0.00 H new ATOM 0 HB THR A 9 -1.299 3.674 2.818 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.952 5.332 1.217 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.091 5.834 2.688 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.699 4.597 1.681 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.310 5.851 0.922 1.00 0.00 H new ATOM 116 N ALA A 10 0.416 2.404 -0.218 1.00 0.00 N ATOM 117 CA ALA A 10 1.496 1.382 -0.266 1.00 0.00 C ATOM 118 C ALA A 10 2.430 1.566 0.931 1.00 0.00 C ATOM 119 O ALA A 10 3.483 2.162 0.819 1.00 0.00 O ATOM 120 CB ALA A 10 2.289 1.553 -1.559 1.00 0.00 C ATOM 0 H ALA A 10 0.459 3.113 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 10 1.057 0.385 -0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.082 0.807 -1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.624 1.424 -2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.727 2.551 -1.588 1.00 0.00 H new ATOM 126 N CYS A 11 2.053 1.052 2.073 1.00 0.00 N ATOM 127 CA CYS A 11 2.911 1.179 3.292 1.00 0.00 C ATOM 128 C CYS A 11 3.508 -0.190 3.617 1.00 0.00 C ATOM 129 O CYS A 11 2.846 -1.204 3.518 1.00 0.00 O ATOM 130 CB CYS A 11 2.054 1.657 4.469 1.00 0.00 C ATOM 131 SG CYS A 11 1.238 3.213 4.029 1.00 0.00 S ATOM 0 H CYS A 11 1.180 0.545 2.216 1.00 0.00 H new ATOM 0 HA CYS A 11 3.710 1.899 3.113 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.309 0.902 4.721 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.677 1.798 5.353 1.00 0.00 H new ATOM 136 N CYS A 12 4.756 -0.232 3.994 1.00 0.00 N ATOM 137 CA CYS A 12 5.389 -1.542 4.314 1.00 0.00 C ATOM 138 C CYS A 12 4.858 -2.056 5.653 1.00 0.00 C ATOM 139 O CYS A 12 4.624 -1.296 6.572 1.00 0.00 O ATOM 140 CB CYS A 12 6.908 -1.368 4.401 1.00 0.00 C ATOM 141 SG CYS A 12 7.560 -0.938 2.769 1.00 0.00 S ATOM 0 H CYS A 12 5.363 0.581 4.094 1.00 0.00 H new ATOM 0 HA CYS A 12 5.149 -2.260 3.530 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.155 -0.587 5.120 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.370 -2.288 4.758 1.00 0.00 H new ATOM 146 N PHE A 13 4.672 -3.346 5.769 1.00 0.00 N ATOM 147 CA PHE A 13 4.160 -3.932 7.047 1.00 0.00 C ATOM 148 C PHE A 13 5.332 -4.565 7.799 1.00 0.00 C ATOM 149 O PHE A 13 5.266 -4.813 8.987 1.00 0.00 O ATOM 150 CB PHE A 13 3.120 -5.009 6.728 1.00 0.00 C ATOM 151 CG PHE A 13 3.787 -6.150 5.997 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.091 -6.025 4.628 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.112 -7.334 6.685 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.718 -7.084 3.948 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.739 -8.394 6.005 1.00 0.00 C ATOM 156 CZ PHE A 13 5.043 -8.269 4.635 1.00 0.00 C ATOM 0 H PHE A 13 4.854 -4.024 5.029 1.00 0.00 H new ATOM 0 HA PHE A 13 3.701 -3.155 7.658 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.661 -5.371 7.648 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.321 -4.589 6.117 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.843 -5.116 4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.880 -7.429 7.735 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.950 -6.988 2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.987 -9.303 6.533 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.525 -9.082 4.112 1.00 0.00 H new ATOM 166 N SER A 14 6.407 -4.826 7.107 1.00 0.00 N ATOM 167 CA SER A 14 7.595 -5.441 7.758 1.00 0.00 C ATOM 168 C SER A 14 8.838 -5.114 6.929 1.00 0.00 C ATOM 169 O SER A 14 8.896 -4.103 6.258 1.00 0.00 O ATOM 170 CB SER A 14 7.412 -6.957 7.828 1.00 0.00 C ATOM 171 OG SER A 14 7.438 -7.495 6.512 1.00 0.00 O ATOM 0 H SER A 14 6.513 -4.637 6.110 1.00 0.00 H new ATOM 0 HA SER A 14 7.709 -5.047 8.768 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.203 -7.403 8.431 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.466 -7.199 8.313 1.00 0.00 H new ATOM 0 HG SER A 14 6.536 -7.467 6.129 1.00 0.00 H new ATOM 177 N TYR A 15 9.835 -5.956 6.968 1.00 0.00 N ATOM 178 CA TYR A 15 11.073 -5.683 6.178 1.00 0.00 C ATOM 179 C TYR A 15 11.779 -7.001 5.868 1.00 0.00 C ATOM 180 O TYR A 15 11.547 -8.007 6.510 1.00 0.00 O ATOM 181 CB TYR A 15 12.011 -4.777 6.988 1.00 0.00 C ATOM 182 CG TYR A 15 11.205 -3.727 7.712 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.924 -2.496 7.088 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.730 -3.981 9.013 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.170 -1.519 7.767 1.00 0.00 C ATOM 186 CE2 TYR A 15 9.976 -3.004 9.691 1.00 0.00 C ATOM 187 CZ TYR A 15 9.696 -1.773 9.067 1.00 0.00 C ATOM 188 OH TYR A 15 8.957 -0.814 9.731 1.00 0.00 O ATOM 0 H TYR A 15 9.847 -6.819 7.511 1.00 0.00 H new ATOM 0 HA TYR A 15 10.806 -5.185 5.246 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.578 -5.372 7.704 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.734 -4.301 6.326 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.286 -2.301 6.089 1.00 0.00 H new ATOM 0 HD2 TYR A 15 10.944 -4.926 9.491 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.956 -0.574 7.289 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.613 -3.199 10.689 1.00 0.00 H new ATOM 0 HH TYR A 15 8.707 -1.149 10.617 1.00 0.00 H new ATOM 198 N THR A 16 12.643 -7.005 4.892 1.00 0.00 N ATOM 199 CA THR A 16 13.362 -8.263 4.552 1.00 0.00 C ATOM 200 C THR A 16 14.162 -8.726 5.772 1.00 0.00 C ATOM 201 O THR A 16 13.917 -8.296 6.881 1.00 0.00 O ATOM 202 CB THR A 16 14.294 -8.021 3.357 1.00 0.00 C ATOM 203 OG1 THR A 16 15.044 -9.197 3.092 1.00 0.00 O ATOM 204 CG2 THR A 16 15.245 -6.862 3.658 1.00 0.00 C ATOM 0 H THR A 16 12.881 -6.196 4.318 1.00 0.00 H new ATOM 0 HA THR A 16 12.646 -9.038 4.279 1.00 0.00 H new ATOM 0 HB THR A 16 13.693 -7.768 2.484 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.637 -9.041 2.328 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.902 -6.699 2.804 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.667 -5.958 3.849 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.845 -7.102 4.536 1.00 0.00 H new ATOM 212 N ALA A 17 15.113 -9.598 5.579 1.00 0.00 N ATOM 213 CA ALA A 17 15.931 -10.093 6.725 1.00 0.00 C ATOM 214 C ALA A 17 17.375 -10.256 6.261 1.00 0.00 C ATOM 215 O ALA A 17 18.184 -10.888 6.911 1.00 0.00 O ATOM 216 CB ALA A 17 15.390 -11.448 7.185 1.00 0.00 C ATOM 0 H ALA A 17 15.361 -9.992 4.671 1.00 0.00 H new ATOM 0 HA ALA A 17 15.883 -9.384 7.552 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.985 -11.812 8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.352 -11.338 7.499 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.447 -12.161 6.362 1.00 0.00 H new ATOM 222 N ARG A 18 17.701 -9.687 5.131 1.00 0.00 N ATOM 223 CA ARG A 18 19.090 -9.796 4.599 1.00 0.00 C ATOM 224 C ARG A 18 19.480 -8.477 3.931 1.00 0.00 C ATOM 225 O ARG A 18 18.788 -7.978 3.066 1.00 0.00 O ATOM 226 CB ARG A 18 19.144 -10.924 3.569 1.00 0.00 C ATOM 227 CG ARG A 18 18.530 -12.191 4.171 1.00 0.00 C ATOM 228 CD ARG A 18 18.932 -13.405 3.335 1.00 0.00 C ATOM 229 NE ARG A 18 18.601 -13.155 1.904 1.00 0.00 N ATOM 230 CZ ARG A 18 19.116 -13.911 0.974 1.00 0.00 C ATOM 231 NH1 ARG A 18 19.920 -14.888 1.298 1.00 0.00 N ATOM 232 NH2 ARG A 18 18.827 -13.692 -0.280 1.00 0.00 N ATOM 0 H ARG A 18 17.059 -9.148 4.550 1.00 0.00 H new ATOM 0 HA ARG A 18 19.782 -10.010 5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.601 -10.636 2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.176 -11.112 3.273 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.868 -12.317 5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.444 -12.102 4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 18 19.999 -13.598 3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.410 -14.293 3.690 1.00 0.00 H new ATOM 0 HE ARG A 18 17.972 -12.393 1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.145 -15.060 2.278 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.323 -15.479 0.571 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.198 -12.930 -0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.230 -14.283 -1.007 1.00 0.00 H new ATOM 246 N LYS A 19 20.586 -7.909 4.325 1.00 0.00 N ATOM 247 CA LYS A 19 21.022 -6.625 3.712 1.00 0.00 C ATOM 248 C LYS A 19 21.293 -6.854 2.223 1.00 0.00 C ATOM 249 O LYS A 19 22.036 -7.738 1.847 1.00 0.00 O ATOM 250 CB LYS A 19 22.293 -6.144 4.426 1.00 0.00 C ATOM 251 CG LYS A 19 22.927 -4.973 3.681 1.00 0.00 C ATOM 252 CD LYS A 19 24.136 -4.488 4.479 1.00 0.00 C ATOM 253 CE LYS A 19 24.975 -3.552 3.618 1.00 0.00 C ATOM 254 NZ LYS A 19 25.778 -4.356 2.652 1.00 0.00 N ATOM 0 H LYS A 19 21.206 -8.279 5.045 1.00 0.00 H new ATOM 0 HA LYS A 19 20.248 -5.865 3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.050 -5.843 5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.007 -6.964 4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 19 23.232 -5.281 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.205 -4.166 3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 19 23.806 -3.971 5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 19 24.737 -5.339 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 19 24.329 -2.857 3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 19 25.634 -2.954 4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 25.877 -3.830 1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 26.720 -4.540 3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.297 -5.260 2.469 1.00 0.00 H new ATOM 268 N LEU A 20 20.686 -6.071 1.372 1.00 0.00 N ATOM 269 CA LEU A 20 20.897 -6.253 -0.092 1.00 0.00 C ATOM 270 C LEU A 20 22.303 -5.747 -0.489 1.00 0.00 C ATOM 271 O LEU A 20 22.569 -4.571 -0.337 1.00 0.00 O ATOM 272 CB LEU A 20 19.862 -5.424 -0.860 1.00 0.00 C ATOM 273 CG LEU A 20 18.471 -5.621 -0.258 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.439 -4.964 -1.175 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.159 -7.115 -0.133 1.00 0.00 C ATOM 0 H LEU A 20 20.053 -5.313 1.628 1.00 0.00 H new ATOM 0 HA LEU A 20 20.798 -7.312 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.134 -4.369 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.856 -5.719 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 20 18.437 -5.168 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.442 -5.098 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.656 -3.899 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.483 -5.426 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.166 -7.245 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.190 -7.577 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.898 -7.588 0.513 1.00 0.00 H new ATOM 287 N PRO A 21 23.173 -6.605 -1.004 1.00 0.00 N ATOM 288 CA PRO A 21 24.514 -6.151 -1.418 1.00 0.00 C ATOM 289 C PRO A 21 24.382 -5.023 -2.443 1.00 0.00 C ATOM 290 O PRO A 21 23.476 -5.018 -3.251 1.00 0.00 O ATOM 291 CB PRO A 21 25.179 -7.394 -2.054 1.00 0.00 C ATOM 292 CG PRO A 21 24.248 -8.607 -1.779 1.00 0.00 C ATOM 293 CD PRO A 21 22.923 -8.052 -1.213 1.00 0.00 C ATOM 0 HA PRO A 21 25.101 -5.762 -0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.317 -7.250 -3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 21 26.167 -7.563 -1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 21 24.069 -9.169 -2.696 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.711 -9.293 -1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.098 -8.214 -1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.655 -8.546 -0.279 1.00 0.00 H new ATOM 301 N ARG A 22 25.286 -4.081 -2.439 1.00 0.00 N ATOM 302 CA ARG A 22 25.207 -2.984 -3.442 1.00 0.00 C ATOM 303 C ARG A 22 25.032 -3.613 -4.826 1.00 0.00 C ATOM 304 O ARG A 22 24.392 -3.062 -5.699 1.00 0.00 O ATOM 305 CB ARG A 22 26.499 -2.160 -3.410 1.00 0.00 C ATOM 306 CG ARG A 22 26.309 -0.856 -4.205 1.00 0.00 C ATOM 307 CD ARG A 22 25.577 0.205 -3.348 1.00 0.00 C ATOM 308 NE ARG A 22 24.496 0.861 -4.155 1.00 0.00 N ATOM 309 CZ ARG A 22 24.720 1.292 -5.371 1.00 0.00 C ATOM 310 NH1 ARG A 22 25.921 1.249 -5.877 1.00 0.00 N ATOM 311 NH2 ARG A 22 23.741 1.796 -6.070 1.00 0.00 N ATOM 0 H ARG A 22 26.070 -4.024 -1.789 1.00 0.00 H new ATOM 0 HA ARG A 22 24.367 -2.328 -3.217 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.769 -1.931 -2.379 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.320 -2.738 -3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 22 27.279 -0.471 -4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.737 -1.057 -5.111 1.00 0.00 H new ATOM 0 HD2 ARG A 22 25.147 -0.264 -2.463 1.00 0.00 H new ATOM 0 HD3 ARG A 22 26.287 0.955 -2.999 1.00 0.00 H new ATOM 0 HE ARG A 22 23.567 0.974 -3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 22 26.694 0.878 -5.325 1.00 0.00 H new ATOM 0 HH12 ARG A 22 26.087 1.587 -6.825 1.00 0.00 H new ATOM 0 HH21 ARG A 22 22.805 1.853 -5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 22 23.912 2.133 -7.018 1.00 0.00 H new ATOM 325 N ASN A 23 25.597 -4.776 -5.017 1.00 0.00 N ATOM 326 CA ASN A 23 25.469 -5.468 -6.329 1.00 0.00 C ATOM 327 C ASN A 23 24.041 -5.996 -6.489 1.00 0.00 C ATOM 328 O ASN A 23 23.776 -6.848 -7.313 1.00 0.00 O ATOM 329 CB ASN A 23 26.454 -6.637 -6.388 1.00 0.00 C ATOM 330 CG ASN A 23 26.538 -7.163 -7.822 1.00 0.00 C ATOM 331 OD1 ASN A 23 27.135 -6.538 -8.677 1.00 0.00 O ATOM 332 ND2 ASN A 23 25.962 -8.295 -8.126 1.00 0.00 N ATOM 0 H ASN A 23 26.144 -5.277 -4.316 1.00 0.00 H new ATOM 0 HA ASN A 23 25.690 -4.766 -7.133 1.00 0.00 H new ATOM 0 HB2 ASN A 23 27.439 -6.314 -6.050 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.131 -7.432 -5.716 1.00 0.00 H new ATOM 0 HD21 ASN A 23 26.013 -8.653 -9.080 1.00 0.00 H new ATOM 0 HD22 ASN A 23 25.461 -8.821 -7.410 1.00 0.00 H new ATOM 339 N PHE A 24 23.120 -5.508 -5.698 1.00 0.00 N ATOM 340 CA PHE A 24 21.704 -5.990 -5.799 1.00 0.00 C ATOM 341 C PHE A 24 20.746 -4.818 -5.551 1.00 0.00 C ATOM 342 O PHE A 24 19.642 -4.999 -5.079 1.00 0.00 O ATOM 343 CB PHE A 24 21.475 -7.083 -4.738 1.00 0.00 C ATOM 344 CG PHE A 24 20.286 -7.952 -5.105 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.283 -8.684 -6.312 1.00 0.00 C ATOM 346 CD2 PHE A 24 19.182 -8.043 -4.229 1.00 0.00 C ATOM 347 CE1 PHE A 24 19.183 -9.498 -6.639 1.00 0.00 C ATOM 348 CE2 PHE A 24 18.083 -8.858 -4.560 1.00 0.00 C ATOM 349 CZ PHE A 24 18.084 -9.586 -5.763 1.00 0.00 C ATOM 0 H PHE A 24 23.285 -4.797 -4.986 1.00 0.00 H new ATOM 0 HA PHE A 24 21.519 -6.397 -6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.368 -7.701 -4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.307 -6.622 -3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 24 21.125 -8.619 -6.985 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.181 -7.486 -3.304 1.00 0.00 H new ATOM 0 HE1 PHE A 24 19.182 -10.056 -7.563 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.239 -8.924 -3.890 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.242 -10.213 -6.015 1.00 0.00 H new ATOM 359 N VAL A 25 21.161 -3.615 -5.867 1.00 0.00 N ATOM 360 CA VAL A 25 20.278 -2.428 -5.649 1.00 0.00 C ATOM 361 C VAL A 25 20.578 -1.363 -6.709 1.00 0.00 C ATOM 362 O VAL A 25 21.475 -0.557 -6.555 1.00 0.00 O ATOM 363 CB VAL A 25 20.540 -1.845 -4.254 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.561 -0.702 -3.979 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.347 -2.933 -3.195 1.00 0.00 C ATOM 0 H VAL A 25 22.075 -3.404 -6.267 1.00 0.00 H new ATOM 0 HA VAL A 25 19.235 -2.735 -5.727 1.00 0.00 H new ATOM 0 HB VAL A 25 21.563 -1.470 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.751 -0.291 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.694 0.079 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.539 -1.079 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.534 -2.515 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.325 -3.310 -3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 25 21.044 -3.750 -3.381 1.00 0.00 H new ATOM 375 N VAL A 26 19.832 -1.350 -7.784 1.00 0.00 N ATOM 376 CA VAL A 26 20.070 -0.337 -8.853 1.00 0.00 C ATOM 377 C VAL A 26 19.297 0.940 -8.523 1.00 0.00 C ATOM 378 O VAL A 26 19.521 1.978 -9.111 1.00 0.00 O ATOM 379 CB VAL A 26 19.576 -0.887 -10.199 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.606 -1.857 -10.778 1.00 0.00 C ATOM 381 CG2 VAL A 26 18.248 -1.620 -9.989 1.00 0.00 C ATOM 0 H VAL A 26 19.067 -1.999 -7.967 1.00 0.00 H new ATOM 0 HA VAL A 26 21.136 -0.119 -8.913 1.00 0.00 H new ATOM 0 HB VAL A 26 19.436 -0.060 -10.895 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.247 -2.242 -11.732 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.551 -1.336 -10.929 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.755 -2.686 -10.086 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.894 -2.012 -10.943 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.393 -2.443 -9.290 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.510 -0.927 -9.585 1.00 0.00 H new ATOM 391 N ASP A 27 18.384 0.873 -7.597 1.00 0.00 N ATOM 392 CA ASP A 27 17.601 2.091 -7.256 1.00 0.00 C ATOM 393 C ASP A 27 16.789 1.838 -5.993 1.00 0.00 C ATOM 394 O ASP A 27 16.942 0.826 -5.337 1.00 0.00 O ATOM 395 CB ASP A 27 16.653 2.420 -8.412 1.00 0.00 C ATOM 396 CG ASP A 27 16.084 3.828 -8.225 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.843 4.708 -7.855 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.898 4.001 -8.455 1.00 0.00 O ATOM 0 H ASP A 27 18.147 0.035 -7.065 1.00 0.00 H new ATOM 0 HA ASP A 27 18.280 2.927 -7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.185 2.355 -9.361 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.843 1.692 -8.450 1.00 0.00 H new ATOM 403 N TYR A 28 15.921 2.746 -5.645 1.00 0.00 N ATOM 404 CA TYR A 28 15.098 2.551 -4.425 1.00 0.00 C ATOM 405 C TYR A 28 13.815 3.367 -4.526 1.00 0.00 C ATOM 406 O TYR A 28 13.526 3.986 -5.531 1.00 0.00 O ATOM 407 CB TYR A 28 15.891 2.967 -3.181 1.00 0.00 C ATOM 408 CG TYR A 28 16.005 4.478 -3.095 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.692 5.195 -4.095 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.435 5.166 -2.005 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.806 6.594 -4.006 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.548 6.564 -1.913 1.00 0.00 C ATOM 413 CZ TYR A 28 16.235 7.281 -2.914 1.00 0.00 C ATOM 414 OH TYR A 28 16.349 8.653 -2.827 1.00 0.00 O ATOM 0 H TYR A 28 15.748 3.613 -6.154 1.00 0.00 H new ATOM 0 HA TYR A 28 14.839 1.496 -4.339 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.401 2.583 -2.286 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.886 2.524 -3.214 1.00 0.00 H new ATOM 0 HD1 TYR A 28 17.131 4.670 -4.930 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.909 4.617 -1.238 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.331 7.143 -4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.109 7.088 -1.077 1.00 0.00 H new ATOM 0 HH TYR A 28 15.899 8.968 -2.015 1.00 0.00 H new ATOM 424 N TYR A 29 13.040 3.349 -3.488 1.00 0.00 N ATOM 425 CA TYR A 29 11.757 4.092 -3.491 1.00 0.00 C ATOM 426 C TYR A 29 11.300 4.264 -2.037 1.00 0.00 C ATOM 427 O TYR A 29 11.451 3.373 -1.231 1.00 0.00 O ATOM 428 CB TYR A 29 10.738 3.275 -4.302 1.00 0.00 C ATOM 429 CG TYR A 29 9.328 3.708 -3.984 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.906 5.007 -4.313 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.437 2.812 -3.359 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.591 5.416 -4.019 1.00 0.00 C ATOM 433 CE2 TYR A 29 7.122 3.219 -3.064 1.00 0.00 C ATOM 434 CZ TYR A 29 6.699 4.522 -3.394 1.00 0.00 C ATOM 435 OH TYR A 29 5.410 4.923 -3.105 1.00 0.00 O ATOM 0 H TYR A 29 13.242 2.845 -2.625 1.00 0.00 H new ATOM 0 HA TYR A 29 11.859 5.078 -3.944 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.930 3.401 -5.368 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.856 2.214 -4.080 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.590 5.692 -4.791 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.763 1.814 -3.107 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.266 6.414 -4.272 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.438 2.533 -2.585 1.00 0.00 H new ATOM 0 HH TYR A 29 4.927 4.186 -2.676 1.00 0.00 H new ATOM 445 N GLU A 30 10.751 5.398 -1.686 1.00 0.00 N ATOM 446 CA GLU A 30 10.296 5.605 -0.274 1.00 0.00 C ATOM 447 C GLU A 30 8.787 5.342 -0.184 1.00 0.00 C ATOM 448 O GLU A 30 8.067 5.456 -1.156 1.00 0.00 O ATOM 449 CB GLU A 30 10.593 7.044 0.151 1.00 0.00 C ATOM 450 CG GLU A 30 12.083 7.190 0.473 1.00 0.00 C ATOM 451 CD GLU A 30 12.409 8.661 0.732 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.627 9.502 0.318 1.00 0.00 O ATOM 453 OE2 GLU A 30 13.433 8.924 1.341 1.00 0.00 O ATOM 0 H GLU A 30 10.597 6.189 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 30 10.825 4.918 0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.314 7.734 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.995 7.306 1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.337 6.591 1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.683 6.814 -0.356 1.00 0.00 H new ATOM 460 N THR A 31 8.311 4.981 0.977 1.00 0.00 N ATOM 461 CA THR A 31 6.851 4.698 1.139 1.00 0.00 C ATOM 462 C THR A 31 6.050 6.000 1.114 1.00 0.00 C ATOM 463 O THR A 31 6.551 7.048 0.755 1.00 0.00 O ATOM 464 CB THR A 31 6.625 3.994 2.479 1.00 0.00 C ATOM 465 OG1 THR A 31 7.377 4.657 3.477 1.00 0.00 O ATOM 466 CG2 THR A 31 7.073 2.535 2.373 1.00 0.00 C ATOM 0 H THR A 31 8.869 4.869 1.823 1.00 0.00 H new ATOM 0 HA THR A 31 6.518 4.063 0.318 1.00 0.00 H new ATOM 0 HB THR A 31 5.567 4.021 2.740 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.240 5.624 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.912 2.035 3.328 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.495 2.032 1.598 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.132 2.497 2.118 1.00 0.00 H new ATOM 474 N SER A 32 4.804 5.934 1.497 1.00 0.00 N ATOM 475 CA SER A 32 3.949 7.153 1.506 1.00 0.00 C ATOM 476 C SER A 32 4.173 7.927 2.805 1.00 0.00 C ATOM 477 O SER A 32 5.262 7.967 3.340 1.00 0.00 O ATOM 478 CB SER A 32 2.480 6.740 1.413 1.00 0.00 C ATOM 479 OG SER A 32 1.689 7.880 1.108 1.00 0.00 O ATOM 0 H SER A 32 4.339 5.080 1.806 1.00 0.00 H new ATOM 0 HA SER A 32 4.209 7.785 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.353 5.979 0.643 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.154 6.299 2.355 1.00 0.00 H new ATOM 0 HG SER A 32 0.993 7.632 0.464 1.00 0.00 H new ATOM 485 N SER A 33 3.140 8.542 3.311 1.00 0.00 N ATOM 486 CA SER A 33 3.264 9.327 4.577 1.00 0.00 C ATOM 487 C SER A 33 2.005 9.120 5.412 1.00 0.00 C ATOM 488 O SER A 33 2.051 9.057 6.624 1.00 0.00 O ATOM 489 CB SER A 33 3.393 10.807 4.235 1.00 0.00 C ATOM 490 OG SER A 33 2.102 11.341 3.975 1.00 0.00 O ATOM 0 H SER A 33 2.207 8.536 2.900 1.00 0.00 H new ATOM 0 HA SER A 33 4.141 8.997 5.134 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.862 11.343 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.035 10.937 3.364 1.00 0.00 H new ATOM 0 HG SER A 33 2.180 12.293 3.756 1.00 0.00 H new ATOM 496 N LEU A 34 0.881 9.023 4.756 1.00 0.00 N ATOM 497 CA LEU A 34 -0.416 8.826 5.471 1.00 0.00 C ATOM 498 C LEU A 34 -0.239 7.847 6.632 1.00 0.00 C ATOM 499 O LEU A 34 -0.541 8.150 7.769 1.00 0.00 O ATOM 500 CB LEU A 34 -1.451 8.255 4.498 1.00 0.00 C ATOM 501 CG LEU A 34 -1.375 8.985 3.157 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.532 8.526 2.269 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.472 10.497 3.388 1.00 0.00 C ATOM 0 H LEU A 34 0.804 9.072 3.740 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.752 9.788 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.273 7.190 4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.451 8.356 4.919 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.427 8.757 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.483 9.044 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.460 7.451 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.479 8.756 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.418 11.016 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.419 10.731 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.648 10.822 4.024 1.00 0.00 H new ATOM 515 N CYS A 35 0.244 6.672 6.349 1.00 0.00 N ATOM 516 CA CYS A 35 0.439 5.670 7.430 1.00 0.00 C ATOM 517 C CYS A 35 1.573 6.132 8.350 1.00 0.00 C ATOM 518 O CYS A 35 2.642 6.488 7.905 1.00 0.00 O ATOM 519 CB CYS A 35 0.780 4.308 6.812 1.00 0.00 C ATOM 520 SG CYS A 35 1.898 4.537 5.406 1.00 0.00 S ATOM 0 H CYS A 35 0.512 6.362 5.415 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.477 5.573 8.013 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.247 3.666 7.559 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.132 3.807 6.486 1.00 0.00 H new ATOM 525 N SER A 36 1.332 6.155 9.631 1.00 0.00 N ATOM 526 CA SER A 36 2.379 6.610 10.592 1.00 0.00 C ATOM 527 C SER A 36 3.570 5.638 10.625 1.00 0.00 C ATOM 528 O SER A 36 4.199 5.474 11.651 1.00 0.00 O ATOM 529 CB SER A 36 1.769 6.703 11.991 1.00 0.00 C ATOM 530 OG SER A 36 2.687 7.349 12.862 1.00 0.00 O ATOM 0 H SER A 36 0.449 5.876 10.058 1.00 0.00 H new ATOM 0 HA SER A 36 2.742 7.585 10.267 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.832 7.258 11.955 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.535 5.706 12.365 1.00 0.00 H new ATOM 0 HG SER A 36 3.571 6.936 12.770 1.00 0.00 H new ATOM 536 N GLN A 37 3.898 4.986 9.536 1.00 0.00 N ATOM 537 CA GLN A 37 5.058 4.039 9.574 1.00 0.00 C ATOM 538 C GLN A 37 5.675 3.868 8.177 1.00 0.00 C ATOM 539 O GLN A 37 5.605 2.797 7.613 1.00 0.00 O ATOM 540 CB GLN A 37 4.578 2.676 10.085 1.00 0.00 C ATOM 541 CG GLN A 37 3.273 2.292 9.383 1.00 0.00 C ATOM 542 CD GLN A 37 2.899 0.855 9.753 1.00 0.00 C ATOM 543 OE1 GLN A 37 3.281 0.366 10.798 1.00 0.00 O ATOM 544 NE2 GLN A 37 2.162 0.154 8.935 1.00 0.00 N ATOM 0 H GLN A 37 3.423 5.065 8.637 1.00 0.00 H new ATOM 0 HA GLN A 37 5.818 4.447 10.240 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.339 1.918 9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.424 2.715 11.163 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.475 2.974 9.677 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.388 2.383 8.303 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.842 0.565 8.058 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.907 -0.804 9.173 1.00 0.00 H new ATOM 553 N PRO A 38 6.282 4.916 7.664 1.00 0.00 N ATOM 554 CA PRO A 38 6.934 4.859 6.340 1.00 0.00 C ATOM 555 C PRO A 38 8.183 3.970 6.431 1.00 0.00 C ATOM 556 O PRO A 38 8.509 3.436 7.473 1.00 0.00 O ATOM 557 CB PRO A 38 7.313 6.325 6.024 1.00 0.00 C ATOM 558 CG PRO A 38 7.036 7.164 7.307 1.00 0.00 C ATOM 559 CD PRO A 38 6.365 6.230 8.339 1.00 0.00 C ATOM 0 HA PRO A 38 6.296 4.438 5.563 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.362 6.397 5.737 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.727 6.701 5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.965 7.572 7.706 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.389 8.011 7.079 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.952 6.167 9.255 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.376 6.594 8.618 1.00 0.00 H new ATOM 567 N ALA A 39 8.878 3.818 5.344 1.00 0.00 N ATOM 568 CA ALA A 39 10.103 2.984 5.331 1.00 0.00 C ATOM 569 C ALA A 39 10.793 3.186 3.987 1.00 0.00 C ATOM 570 O ALA A 39 10.229 3.768 3.083 1.00 0.00 O ATOM 571 CB ALA A 39 9.726 1.510 5.496 1.00 0.00 C ATOM 0 H ALA A 39 8.643 4.245 4.448 1.00 0.00 H new ATOM 0 HA ALA A 39 10.765 3.270 6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.629 0.900 5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.205 1.372 6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.075 1.207 4.676 1.00 0.00 H new ATOM 577 N VAL A 40 11.991 2.694 3.827 1.00 0.00 N ATOM 578 CA VAL A 40 12.686 2.844 2.513 1.00 0.00 C ATOM 579 C VAL A 40 12.487 1.547 1.736 1.00 0.00 C ATOM 580 O VAL A 40 12.440 0.474 2.305 1.00 0.00 O ATOM 581 CB VAL A 40 14.183 3.105 2.732 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.949 2.862 1.427 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.380 4.559 3.160 1.00 0.00 C ATOM 0 H VAL A 40 12.518 2.197 4.545 1.00 0.00 H new ATOM 0 HA VAL A 40 12.276 3.688 1.959 1.00 0.00 H new ATOM 0 HB VAL A 40 14.557 2.432 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 40 16.011 3.049 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.806 1.829 1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.575 3.535 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.441 4.751 3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.003 5.222 2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.837 4.742 4.087 1.00 0.00 H new ATOM 593 N VAL A 41 12.351 1.645 0.444 1.00 0.00 N ATOM 594 CA VAL A 41 12.131 0.431 -0.403 1.00 0.00 C ATOM 595 C VAL A 41 13.259 0.312 -1.429 1.00 0.00 C ATOM 596 O VAL A 41 13.419 1.155 -2.285 1.00 0.00 O ATOM 597 CB VAL A 41 10.782 0.574 -1.111 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.308 -0.782 -1.625 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.753 1.120 -0.117 1.00 0.00 C ATOM 0 H VAL A 41 12.383 2.524 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 41 12.128 -0.468 0.214 1.00 0.00 H new ATOM 0 HB VAL A 41 10.892 1.255 -1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.347 -0.665 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.039 -1.180 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.199 -1.471 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.788 1.225 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.656 0.431 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.081 2.093 0.249 1.00 0.00 H new ATOM 609 N PHE A 42 14.053 -0.722 -1.348 1.00 0.00 N ATOM 610 CA PHE A 42 15.179 -0.872 -2.319 1.00 0.00 C ATOM 611 C PHE A 42 14.713 -1.640 -3.558 1.00 0.00 C ATOM 612 O PHE A 42 14.057 -2.658 -3.467 1.00 0.00 O ATOM 613 CB PHE A 42 16.329 -1.649 -1.666 1.00 0.00 C ATOM 614 CG PHE A 42 17.072 -0.761 -0.692 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.764 0.376 -1.160 1.00 0.00 C ATOM 616 CD2 PHE A 42 17.088 -1.077 0.681 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.465 1.195 -0.255 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.791 -0.258 1.583 1.00 0.00 C ATOM 619 CZ PHE A 42 18.479 0.878 1.116 1.00 0.00 C ATOM 0 H PHE A 42 13.973 -1.467 -0.656 1.00 0.00 H new ATOM 0 HA PHE A 42 15.517 0.123 -2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.938 -2.524 -1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.013 -2.013 -2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.756 0.618 -2.213 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.561 -1.948 1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.992 2.067 -0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.803 -0.501 2.635 1.00 0.00 H new ATOM 0 HZ PHE A 42 19.018 1.506 1.810 1.00 0.00 H new ATOM 629 N GLN A 43 15.084 -1.167 -4.718 1.00 0.00 N ATOM 630 CA GLN A 43 14.714 -1.864 -5.983 1.00 0.00 C ATOM 631 C GLN A 43 15.918 -2.721 -6.387 1.00 0.00 C ATOM 632 O GLN A 43 17.012 -2.208 -6.541 1.00 0.00 O ATOM 633 CB GLN A 43 14.418 -0.816 -7.057 1.00 0.00 C ATOM 634 CG GLN A 43 13.168 -0.025 -6.667 1.00 0.00 C ATOM 635 CD GLN A 43 12.977 1.138 -7.642 1.00 0.00 C ATOM 636 OE1 GLN A 43 13.017 0.952 -8.842 1.00 0.00 O ATOM 637 NE2 GLN A 43 12.770 2.338 -7.174 1.00 0.00 N ATOM 0 H GLN A 43 15.634 -0.317 -4.844 1.00 0.00 H new ATOM 0 HA GLN A 43 13.829 -2.489 -5.859 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.268 -0.142 -7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.268 -1.301 -8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.293 -0.675 -6.684 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.266 0.352 -5.649 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.736 2.494 -6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.642 3.121 -7.816 1.00 0.00 H new ATOM 646 N THR A 44 15.755 -4.025 -6.511 1.00 0.00 N ATOM 647 CA THR A 44 16.943 -4.890 -6.843 1.00 0.00 C ATOM 648 C THR A 44 17.004 -5.228 -8.330 1.00 0.00 C ATOM 649 O THR A 44 16.427 -4.560 -9.164 1.00 0.00 O ATOM 650 CB THR A 44 16.862 -6.191 -6.045 1.00 0.00 C ATOM 651 OG1 THR A 44 15.998 -7.094 -6.715 1.00 0.00 O ATOM 652 CG2 THR A 44 16.309 -5.893 -4.650 1.00 0.00 C ATOM 0 H THR A 44 14.870 -4.519 -6.399 1.00 0.00 H new ATOM 0 HA THR A 44 17.842 -4.331 -6.583 1.00 0.00 H new ATOM 0 HB THR A 44 17.854 -6.633 -5.955 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.311 -8.012 -6.574 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.249 -6.818 -4.077 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.969 -5.192 -4.139 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.314 -5.456 -4.739 1.00 0.00 H new ATOM 660 N LYS A 45 17.734 -6.269 -8.655 1.00 0.00 N ATOM 661 CA LYS A 45 17.897 -6.692 -10.078 1.00 0.00 C ATOM 662 C LYS A 45 17.188 -8.028 -10.317 1.00 0.00 C ATOM 663 O LYS A 45 16.884 -8.379 -11.440 1.00 0.00 O ATOM 664 CB LYS A 45 19.390 -6.855 -10.367 1.00 0.00 C ATOM 665 CG LYS A 45 20.161 -5.670 -9.767 1.00 0.00 C ATOM 666 CD LYS A 45 21.502 -5.488 -10.499 1.00 0.00 C ATOM 667 CE LYS A 45 22.507 -4.758 -9.597 1.00 0.00 C ATOM 668 NZ LYS A 45 23.390 -3.897 -10.434 1.00 0.00 N ATOM 0 H LYS A 45 18.231 -6.851 -7.981 1.00 0.00 H new ATOM 0 HA LYS A 45 17.460 -5.940 -10.735 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.753 -7.791 -9.943 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.560 -6.906 -11.443 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.566 -4.760 -9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 45 20.338 -5.841 -8.705 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.901 -6.460 -10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.349 -4.921 -11.417 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.978 -4.150 -8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 45 23.105 -5.480 -9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 23.905 -3.231 -9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 24.070 -4.493 -10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 22.812 -3.366 -11.116 1.00 0.00 H new ATOM 682 N ARG A 46 16.925 -8.780 -9.271 1.00 0.00 N ATOM 683 CA ARG A 46 16.237 -10.104 -9.433 1.00 0.00 C ATOM 684 C ARG A 46 15.044 -10.152 -8.474 1.00 0.00 C ATOM 685 O ARG A 46 14.838 -11.104 -7.754 1.00 0.00 O ATOM 686 CB ARG A 46 17.235 -11.239 -9.114 1.00 0.00 C ATOM 687 CG ARG A 46 16.802 -12.573 -9.770 1.00 0.00 C ATOM 688 CD ARG A 46 15.735 -13.298 -8.929 1.00 0.00 C ATOM 689 NE ARG A 46 15.832 -14.774 -9.170 1.00 0.00 N ATOM 690 CZ ARG A 46 15.829 -15.269 -10.379 1.00 0.00 C ATOM 691 NH1 ARG A 46 15.534 -14.515 -11.403 1.00 0.00 N ATOM 692 NH2 ARG A 46 16.062 -16.540 -10.559 1.00 0.00 N ATOM 0 H ARG A 46 17.158 -8.533 -8.309 1.00 0.00 H new ATOM 0 HA ARG A 46 15.883 -10.230 -10.456 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.228 -10.963 -9.469 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.307 -11.369 -8.034 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.409 -12.378 -10.768 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.672 -13.219 -9.891 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.880 -13.081 -7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.741 -12.939 -9.195 1.00 0.00 H new ATOM 0 HE ARG A 46 15.902 -15.406 -8.372 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.304 -13.531 -11.262 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.534 -14.909 -12.344 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.246 -17.143 -9.757 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.061 -16.930 -11.501 1.00 0.00 H new ATOM 706 N SER A 47 14.250 -9.122 -8.471 1.00 0.00 N ATOM 707 CA SER A 47 13.064 -9.091 -7.589 1.00 0.00 C ATOM 708 C SER A 47 12.185 -7.929 -8.032 1.00 0.00 C ATOM 709 O SER A 47 11.777 -7.849 -9.172 1.00 0.00 O ATOM 710 CB SER A 47 13.489 -8.919 -6.122 1.00 0.00 C ATOM 711 OG SER A 47 13.904 -7.581 -5.896 1.00 0.00 O ATOM 0 H SER A 47 14.377 -8.292 -9.050 1.00 0.00 H new ATOM 0 HA SER A 47 12.513 -10.029 -7.663 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.659 -9.168 -5.462 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.301 -9.606 -5.886 1.00 0.00 H new ATOM 0 HG SER A 47 14.819 -7.462 -6.227 1.00 0.00 H new ATOM 717 N LYS A 48 11.912 -7.024 -7.153 1.00 0.00 N ATOM 718 CA LYS A 48 11.077 -5.850 -7.510 1.00 0.00 C ATOM 719 C LYS A 48 11.373 -4.758 -6.488 1.00 0.00 C ATOM 720 O LYS A 48 12.256 -3.943 -6.663 1.00 0.00 O ATOM 721 CB LYS A 48 9.576 -6.235 -7.455 1.00 0.00 C ATOM 722 CG LYS A 48 9.049 -6.582 -8.858 1.00 0.00 C ATOM 723 CD LYS A 48 7.526 -6.736 -8.807 1.00 0.00 C ATOM 724 CE LYS A 48 6.975 -6.833 -10.232 1.00 0.00 C ATOM 725 NZ LYS A 48 6.992 -5.484 -10.863 1.00 0.00 N ATOM 0 H LYS A 48 12.234 -7.043 -6.185 1.00 0.00 H new ATOM 0 HA LYS A 48 11.302 -5.505 -8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.439 -7.087 -6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.999 -5.409 -7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.323 -5.799 -9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.507 -7.505 -9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.259 -7.628 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.081 -5.886 -8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.575 -7.528 -10.819 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.958 -7.225 -10.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.357 -5.478 -11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.672 -4.774 -10.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.959 -5.257 -11.170 1.00 0.00 H new ATOM 739 N GLN A 49 10.632 -4.762 -5.411 1.00 0.00 N ATOM 740 CA GLN A 49 10.823 -3.754 -4.332 1.00 0.00 C ATOM 741 C GLN A 49 11.012 -4.494 -2.999 1.00 0.00 C ATOM 742 O GLN A 49 10.441 -5.545 -2.773 1.00 0.00 O ATOM 743 CB GLN A 49 9.564 -2.866 -4.272 1.00 0.00 C ATOM 744 CG GLN A 49 9.770 -1.593 -5.106 1.00 0.00 C ATOM 745 CD GLN A 49 8.527 -0.707 -5.000 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.956 -0.565 -3.938 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.080 -0.102 -6.067 1.00 0.00 N ATOM 0 H GLN A 49 9.888 -5.436 -5.233 1.00 0.00 H new ATOM 0 HA GLN A 49 11.698 -3.134 -4.526 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.702 -3.419 -4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.347 -2.600 -3.237 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.647 -1.051 -4.752 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.956 -1.854 -6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.559 -0.221 -6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.251 0.490 -6.008 1.00 0.00 H new ATOM 756 N VAL A 50 11.811 -3.950 -2.116 1.00 0.00 N ATOM 757 CA VAL A 50 12.044 -4.607 -0.792 1.00 0.00 C ATOM 758 C VAL A 50 12.041 -3.547 0.300 1.00 0.00 C ATOM 759 O VAL A 50 12.822 -2.621 0.273 1.00 0.00 O ATOM 760 CB VAL A 50 13.398 -5.319 -0.804 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.521 -6.198 0.440 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.505 -6.182 -2.065 1.00 0.00 C ATOM 0 H VAL A 50 12.315 -3.074 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 50 11.255 -5.334 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 50 14.202 -4.583 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.485 -6.706 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.444 -5.578 1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.721 -6.938 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.469 -6.691 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.704 -6.921 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.418 -5.549 -2.948 1.00 0.00 H new ATOM 772 N CYS A 51 11.175 -3.677 1.264 1.00 0.00 N ATOM 773 CA CYS A 51 11.120 -2.670 2.356 1.00 0.00 C ATOM 774 C CYS A 51 12.339 -2.841 3.261 1.00 0.00 C ATOM 775 O CYS A 51 12.878 -3.922 3.397 1.00 0.00 O ATOM 776 CB CYS A 51 9.844 -2.883 3.170 1.00 0.00 C ATOM 777 SG CYS A 51 8.400 -2.650 2.101 1.00 0.00 S ATOM 0 H CYS A 51 10.502 -4.439 1.342 1.00 0.00 H new ATOM 0 HA CYS A 51 11.120 -1.665 1.934 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.836 -3.886 3.597 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.810 -2.181 4.003 1.00 0.00 H new ATOM 782 N ALA A 52 12.788 -1.775 3.872 1.00 0.00 N ATOM 783 CA ALA A 52 13.987 -1.863 4.760 1.00 0.00 C ATOM 784 C ALA A 52 13.805 -0.937 5.965 1.00 0.00 C ATOM 785 O ALA A 52 13.354 0.185 5.838 1.00 0.00 O ATOM 786 CB ALA A 52 15.226 -1.429 3.977 1.00 0.00 C ATOM 0 H ALA A 52 12.375 -0.845 3.794 1.00 0.00 H new ATOM 0 HA ALA A 52 14.107 -2.890 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.103 -1.491 4.621 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.360 -2.084 3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.099 -0.402 3.635 1.00 0.00 H new ATOM 792 N ASP A 53 14.157 -1.403 7.135 1.00 0.00 N ATOM 793 CA ASP A 53 14.010 -0.558 8.356 1.00 0.00 C ATOM 794 C ASP A 53 15.015 0.621 8.295 1.00 0.00 C ATOM 795 O ASP A 53 16.205 0.376 8.278 1.00 0.00 O ATOM 796 CB ASP A 53 14.334 -1.410 9.587 1.00 0.00 C ATOM 797 CG ASP A 53 13.214 -2.425 9.816 1.00 0.00 C ATOM 798 OD1 ASP A 53 13.304 -3.511 9.267 1.00 0.00 O ATOM 799 OD2 ASP A 53 12.286 -2.101 10.538 1.00 0.00 O ATOM 0 H ASP A 53 14.541 -2.334 7.297 1.00 0.00 H new ATOM 0 HA ASP A 53 12.992 -0.173 8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.283 -1.926 9.445 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.446 -0.773 10.464 1.00 0.00 H new ATOM 804 N PRO A 54 14.550 1.866 8.268 1.00 0.00 N ATOM 805 CA PRO A 54 15.481 3.017 8.214 1.00 0.00 C ATOM 806 C PRO A 54 16.360 3.047 9.475 1.00 0.00 C ATOM 807 O PRO A 54 17.280 3.835 9.581 1.00 0.00 O ATOM 808 CB PRO A 54 14.574 4.266 8.148 1.00 0.00 C ATOM 809 CG PRO A 54 13.097 3.782 8.214 1.00 0.00 C ATOM 810 CD PRO A 54 13.114 2.238 8.281 1.00 0.00 C ATOM 0 HA PRO A 54 16.156 2.964 7.360 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.792 4.941 8.975 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.754 4.821 7.227 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.597 4.198 9.088 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.543 4.121 7.339 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.622 1.877 9.184 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.586 1.801 7.434 1.00 0.00 H new ATOM 818 N SER A 55 16.073 2.212 10.430 1.00 0.00 N ATOM 819 CA SER A 55 16.881 2.211 11.684 1.00 0.00 C ATOM 820 C SER A 55 18.231 1.535 11.437 1.00 0.00 C ATOM 821 O SER A 55 19.169 1.715 12.187 1.00 0.00 O ATOM 822 CB SER A 55 16.124 1.451 12.775 1.00 0.00 C ATOM 823 OG SER A 55 15.968 0.095 12.379 1.00 0.00 O ATOM 0 H SER A 55 15.315 1.530 10.400 1.00 0.00 H new ATOM 0 HA SER A 55 17.050 3.240 12.001 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.668 1.506 13.718 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.149 1.908 12.943 1.00 0.00 H new ATOM 0 HG SER A 55 15.485 -0.396 13.076 1.00 0.00 H new ATOM 829 N GLU A 56 18.343 0.760 10.392 1.00 0.00 N ATOM 830 CA GLU A 56 19.641 0.083 10.107 1.00 0.00 C ATOM 831 C GLU A 56 20.576 1.065 9.388 1.00 0.00 C ATOM 832 O GLU A 56 20.277 1.567 8.324 1.00 0.00 O ATOM 833 CB GLU A 56 19.393 -1.146 9.230 1.00 0.00 C ATOM 834 CG GLU A 56 18.899 -2.309 10.095 1.00 0.00 C ATOM 835 CD GLU A 56 20.064 -2.866 10.917 1.00 0.00 C ATOM 836 OE1 GLU A 56 20.847 -3.619 10.362 1.00 0.00 O ATOM 837 OE2 GLU A 56 20.152 -2.530 12.087 1.00 0.00 O ATOM 0 H GLU A 56 17.595 0.567 9.726 1.00 0.00 H new ATOM 0 HA GLU A 56 20.105 -0.236 11.040 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.656 -0.913 8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.311 -1.428 8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.102 -1.971 10.757 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.478 -3.092 9.464 1.00 0.00 H new ATOM 844 N SER A 57 21.696 1.350 9.986 1.00 0.00 N ATOM 845 CA SER A 57 22.666 2.309 9.385 1.00 0.00 C ATOM 846 C SER A 57 22.971 1.970 7.922 1.00 0.00 C ATOM 847 O SER A 57 23.090 2.849 7.093 1.00 0.00 O ATOM 848 CB SER A 57 23.966 2.273 10.188 1.00 0.00 C ATOM 849 OG SER A 57 24.406 0.927 10.309 1.00 0.00 O ATOM 0 H SER A 57 21.987 0.954 10.880 1.00 0.00 H new ATOM 0 HA SER A 57 22.220 3.303 9.414 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.729 2.874 9.694 1.00 0.00 H new ATOM 0 HB3 SER A 57 23.809 2.707 11.176 1.00 0.00 H new ATOM 0 HG SER A 57 25.241 0.901 10.822 1.00 0.00 H new ATOM 855 N TRP A 58 23.130 0.716 7.591 1.00 0.00 N ATOM 856 CA TRP A 58 23.460 0.376 6.177 1.00 0.00 C ATOM 857 C TRP A 58 22.347 0.867 5.252 1.00 0.00 C ATOM 858 O TRP A 58 22.577 1.170 4.100 1.00 0.00 O ATOM 859 CB TRP A 58 23.688 -1.135 6.022 1.00 0.00 C ATOM 860 CG TRP A 58 22.396 -1.889 6.004 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.899 -2.594 7.045 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.452 -2.059 4.905 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.707 -3.181 6.661 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.383 -2.880 5.356 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.411 -1.583 3.574 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.313 -3.220 4.518 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.335 -1.923 2.726 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.287 -2.738 3.200 1.00 0.00 C ATOM 0 H TRP A 58 23.047 -0.077 8.228 1.00 0.00 H new ATOM 0 HA TRP A 58 24.386 0.878 5.897 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.235 -1.328 5.099 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.309 -1.496 6.842 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.358 -2.684 8.018 1.00 0.00 H new ATOM 0 HE1 TRP A 58 20.136 -3.767 7.271 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.208 -0.955 3.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.514 -3.848 4.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.315 -1.557 1.710 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.464 -2.992 2.549 1.00 0.00 H new ATOM 879 N VAL A 59 21.150 0.971 5.749 1.00 0.00 N ATOM 880 CA VAL A 59 20.040 1.464 4.892 1.00 0.00 C ATOM 881 C VAL A 59 20.259 2.947 4.616 1.00 0.00 C ATOM 882 O VAL A 59 20.172 3.401 3.493 1.00 0.00 O ATOM 883 CB VAL A 59 18.712 1.259 5.617 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.563 1.818 4.772 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.511 -0.238 5.844 1.00 0.00 C ATOM 0 H VAL A 59 20.892 0.737 6.708 1.00 0.00 H new ATOM 0 HA VAL A 59 20.018 0.915 3.950 1.00 0.00 H new ATOM 0 HB VAL A 59 18.725 1.783 6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.619 1.668 5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.719 2.884 4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.532 1.301 3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.566 -0.404 6.361 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.494 -0.753 4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.329 -0.627 6.450 1.00 0.00 H new ATOM 895 N GLN A 60 20.557 3.704 5.632 1.00 0.00 N ATOM 896 CA GLN A 60 20.797 5.160 5.425 1.00 0.00 C ATOM 897 C GLN A 60 22.037 5.351 4.547 1.00 0.00 C ATOM 898 O GLN A 60 22.095 6.240 3.721 1.00 0.00 O ATOM 899 CB GLN A 60 21.017 5.839 6.778 1.00 0.00 C ATOM 900 CG GLN A 60 21.127 7.351 6.579 1.00 0.00 C ATOM 901 CD GLN A 60 21.175 8.043 7.943 1.00 0.00 C ATOM 902 OE1 GLN A 60 21.971 7.687 8.789 1.00 0.00 O ATOM 903 NE2 GLN A 60 20.352 9.023 8.194 1.00 0.00 N ATOM 0 H GLN A 60 20.645 3.380 6.595 1.00 0.00 H new ATOM 0 HA GLN A 60 19.932 5.606 4.934 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.191 5.609 7.451 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.924 5.456 7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 60 22.024 7.589 6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.276 7.716 6.004 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.684 9.322 7.484 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.377 9.490 9.100 1.00 0.00 H new ATOM 912 N GLU A 61 23.032 4.526 4.726 1.00 0.00 N ATOM 913 CA GLU A 61 24.275 4.658 3.910 1.00 0.00 C ATOM 914 C GLU A 61 23.971 4.376 2.437 1.00 0.00 C ATOM 915 O GLU A 61 24.365 5.118 1.559 1.00 0.00 O ATOM 916 CB GLU A 61 25.320 3.659 4.412 1.00 0.00 C ATOM 917 CG GLU A 61 26.662 3.940 3.733 1.00 0.00 C ATOM 918 CD GLU A 61 27.680 2.878 4.153 1.00 0.00 C ATOM 919 OE1 GLU A 61 28.238 3.012 5.230 1.00 0.00 O ATOM 920 OE2 GLU A 61 27.885 1.948 3.390 1.00 0.00 O ATOM 0 H GLU A 61 23.039 3.764 5.404 1.00 0.00 H new ATOM 0 HA GLU A 61 24.658 5.674 4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.424 3.738 5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 61 24.998 2.640 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.541 3.935 2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 61 27.020 4.932 4.009 1.00 0.00 H new ATOM 927 N TYR A 62 23.278 3.308 2.158 1.00 0.00 N ATOM 928 CA TYR A 62 22.953 2.975 0.740 1.00 0.00 C ATOM 929 C TYR A 62 22.099 4.093 0.134 1.00 0.00 C ATOM 930 O TYR A 62 22.220 4.415 -1.031 1.00 0.00 O ATOM 931 CB TYR A 62 22.186 1.642 0.681 1.00 0.00 C ATOM 932 CG TYR A 62 23.149 0.468 0.726 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.154 0.398 1.714 1.00 0.00 C ATOM 934 CD2 TYR A 62 23.038 -0.562 -0.232 1.00 0.00 C ATOM 935 CE1 TYR A 62 25.041 -0.696 1.740 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.926 -1.654 -0.202 1.00 0.00 C ATOM 937 CZ TYR A 62 24.927 -1.720 0.783 1.00 0.00 C ATOM 938 OH TYR A 62 25.798 -2.790 0.809 1.00 0.00 O ATOM 0 H TYR A 62 22.921 2.649 2.850 1.00 0.00 H new ATOM 0 HA TYR A 62 23.877 2.879 0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.489 1.580 1.517 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.593 1.598 -0.232 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.243 1.183 2.450 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.270 -0.513 -0.990 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.810 -0.748 2.496 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.838 -2.441 -0.936 1.00 0.00 H new ATOM 0 HH TYR A 62 25.580 -3.407 0.079 1.00 0.00 H new ATOM 948 N VAL A 63 21.247 4.693 0.914 1.00 0.00 N ATOM 949 CA VAL A 63 20.404 5.792 0.378 1.00 0.00 C ATOM 950 C VAL A 63 21.317 6.950 0.007 1.00 0.00 C ATOM 951 O VAL A 63 21.157 7.585 -1.015 1.00 0.00 O ATOM 952 CB VAL A 63 19.405 6.236 1.450 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.700 7.520 1.005 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.365 5.132 1.660 1.00 0.00 C ATOM 0 H VAL A 63 21.099 4.470 1.898 1.00 0.00 H new ATOM 0 HA VAL A 63 19.850 5.457 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 63 19.937 6.424 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.991 7.830 1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.439 8.307 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.168 7.338 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.652 5.444 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.838 4.946 0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.864 4.218 1.983 1.00 0.00 H new ATOM 964 N TYR A 64 22.281 7.223 0.836 1.00 0.00 N ATOM 965 CA TYR A 64 23.217 8.333 0.547 1.00 0.00 C ATOM 966 C TYR A 64 23.991 8.015 -0.729 1.00 0.00 C ATOM 967 O TYR A 64 24.171 8.852 -1.591 1.00 0.00 O ATOM 968 CB TYR A 64 24.196 8.487 1.715 1.00 0.00 C ATOM 969 CG TYR A 64 24.856 9.847 1.656 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.118 11.001 1.980 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.209 9.960 1.277 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.731 12.268 1.925 1.00 0.00 C ATOM 973 CE2 TYR A 64 26.822 11.227 1.223 1.00 0.00 C ATOM 974 CZ TYR A 64 26.082 12.380 1.547 1.00 0.00 C ATOM 975 OH TYR A 64 26.683 13.622 1.493 1.00 0.00 O ATOM 0 H TYR A 64 22.460 6.721 1.706 1.00 0.00 H new ATOM 0 HA TYR A 64 22.661 9.261 0.416 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.668 8.370 2.661 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.953 7.704 1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.081 10.915 2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.776 9.075 1.028 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.164 13.153 2.173 1.00 0.00 H new ATOM 0 HE2 TYR A 64 27.859 11.314 0.933 1.00 0.00 H new ATOM 0 HH TYR A 64 27.618 13.521 1.216 1.00 0.00 H new ATOM 985 N ASP A 65 24.452 6.805 -0.848 1.00 0.00 N ATOM 986 CA ASP A 65 25.223 6.408 -2.060 1.00 0.00 C ATOM 987 C ASP A 65 24.337 6.549 -3.301 1.00 0.00 C ATOM 988 O ASP A 65 24.797 6.894 -4.370 1.00 0.00 O ATOM 989 CB ASP A 65 25.671 4.950 -1.910 1.00 0.00 C ATOM 990 CG ASP A 65 26.896 4.876 -0.994 1.00 0.00 C ATOM 991 OD1 ASP A 65 26.711 4.889 0.212 1.00 0.00 O ATOM 992 OD2 ASP A 65 27.997 4.809 -1.516 1.00 0.00 O ATOM 0 H ASP A 65 24.328 6.067 -0.155 1.00 0.00 H new ATOM 0 HA ASP A 65 26.096 7.052 -2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.859 4.351 -1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.910 4.531 -2.887 1.00 0.00 H new ATOM 997 N LEU A 66 23.071 6.284 -3.162 1.00 0.00 N ATOM 998 CA LEU A 66 22.146 6.399 -4.323 1.00 0.00 C ATOM 999 C LEU A 66 21.934 7.878 -4.661 1.00 0.00 C ATOM 1000 O LEU A 66 21.718 8.241 -5.800 1.00 0.00 O ATOM 1001 CB LEU A 66 20.809 5.746 -3.953 1.00 0.00 C ATOM 1002 CG LEU A 66 20.902 4.212 -4.115 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.826 3.533 -3.264 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.682 3.815 -5.584 1.00 0.00 C ATOM 0 H LEU A 66 22.633 5.991 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 66 22.569 5.897 -5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.546 5.995 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 66 20.016 6.139 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 66 21.893 3.894 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.897 2.452 -3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.973 3.793 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.841 3.870 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.750 2.732 -5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.695 4.147 -5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.444 4.285 -6.206 1.00 0.00 H new ATOM 1016 N GLU A 67 22.006 8.732 -3.682 1.00 0.00 N ATOM 1017 CA GLU A 67 21.818 10.188 -3.945 1.00 0.00 C ATOM 1018 C GLU A 67 23.057 10.731 -4.653 1.00 0.00 C ATOM 1019 O GLU A 67 22.992 11.684 -5.404 1.00 0.00 O ATOM 1020 CB GLU A 67 21.634 10.923 -2.618 1.00 0.00 C ATOM 1021 CG GLU A 67 20.264 10.579 -2.044 1.00 0.00 C ATOM 1022 CD GLU A 67 20.086 11.265 -0.689 1.00 0.00 C ATOM 1023 OE1 GLU A 67 21.089 11.557 -0.059 1.00 0.00 O ATOM 1024 OE2 GLU A 67 18.950 11.488 -0.304 1.00 0.00 O ATOM 0 H GLU A 67 22.187 8.487 -2.709 1.00 0.00 H new ATOM 0 HA GLU A 67 20.938 10.338 -4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.418 10.636 -1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.719 11.999 -2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.480 10.900 -2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.167 9.499 -1.931 1.00 0.00 H new ATOM 1031 N LEU A 68 24.184 10.125 -4.418 1.00 0.00 N ATOM 1032 CA LEU A 68 25.437 10.596 -5.076 1.00 0.00 C ATOM 1033 C LEU A 68 25.457 10.116 -6.531 1.00 0.00 C ATOM 1034 O LEU A 68 24.611 10.477 -7.324 1.00 0.00 O ATOM 1035 CB LEU A 68 26.650 10.034 -4.338 1.00 0.00 C ATOM 1036 CG LEU A 68 26.697 10.590 -2.911 1.00 0.00 C ATOM 1037 CD1 LEU A 68 27.854 9.927 -2.171 1.00 0.00 C ATOM 1038 CD2 LEU A 68 26.905 12.120 -2.932 1.00 0.00 C ATOM 0 H LEU A 68 24.295 9.322 -3.798 1.00 0.00 H new ATOM 0 HA LEU A 68 25.473 11.685 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 68 26.598 8.946 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 68 27.564 10.297 -4.870 1.00 0.00 H new ATOM 0 HG LEU A 68 25.753 10.379 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 68 27.902 10.312 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 68 27.699 8.848 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 68 28.789 10.147 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 68 26.936 12.497 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 68 27.845 12.353 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.082 12.592 -3.468 1.00 0.00 H new ATOM 1050 N ASN A 69 26.419 9.306 -6.890 1.00 0.00 N ATOM 1051 CA ASN A 69 26.496 8.803 -8.293 1.00 0.00 C ATOM 1052 C ASN A 69 25.685 7.512 -8.417 1.00 0.00 C ATOM 1053 O ASN A 69 25.146 7.275 -9.485 1.00 0.00 O ATOM 1054 CB ASN A 69 27.956 8.521 -8.652 1.00 0.00 C ATOM 1055 CG ASN A 69 28.079 8.311 -10.162 1.00 0.00 C ATOM 1056 OD1 ASN A 69 28.563 7.288 -10.607 1.00 0.00 O ATOM 1057 ND2 ASN A 69 27.659 9.240 -10.975 1.00 0.00 N ATOM 1058 OXT ASN A 69 25.617 6.781 -7.443 1.00 0.00 O ATOM 0 H ASN A 69 27.156 8.971 -6.270 1.00 0.00 H new ATOM 0 HA ASN A 69 26.091 9.554 -8.971 1.00 0.00 H new ATOM 0 HB2 ASN A 69 28.586 9.353 -8.337 1.00 0.00 H new ATOM 0 HB3 ASN A 69 28.308 7.636 -8.121 1.00 0.00 H new ATOM 0 HD21 ASN A 69 27.737 9.108 -11.983 1.00 0.00 H new ATOM 0 HD22 ASN A 69 27.253 10.098 -10.602 1.00 0.00 H new TER 1065 ASN A 69 ATOM 1066 N ALA B 1 8.788 -15.752 -13.761 1.00 0.00 N ATOM 1067 CA ALA B 1 8.089 -14.729 -12.932 1.00 0.00 C ATOM 1068 C ALA B 1 8.419 -14.953 -11.448 1.00 0.00 C ATOM 1069 O ALA B 1 7.551 -15.322 -10.683 1.00 0.00 O ATOM 1070 CB ALA B 1 6.579 -14.860 -13.138 1.00 0.00 C ATOM 0 H1 ALA B 1 9.428 -15.278 -14.431 1.00 0.00 H new ATOM 0 H2 ALA B 1 9.338 -16.382 -13.143 1.00 0.00 H new ATOM 0 H3 ALA B 1 8.086 -16.310 -14.288 1.00 0.00 H new ATOM 0 HA ALA B 1 8.418 -13.734 -13.230 1.00 0.00 H new ATOM 0 HB1 ALA B 1 6.063 -14.114 -12.534 1.00 0.00 H new ATOM 0 HB2 ALA B 1 6.340 -14.703 -14.190 1.00 0.00 H new ATOM 0 HB3 ALA B 1 6.256 -15.857 -12.837 1.00 0.00 H new ATOM 1078 N PRO B 2 9.662 -14.729 -11.076 1.00 0.00 N ATOM 1079 CA PRO B 2 10.090 -14.916 -9.677 1.00 0.00 C ATOM 1080 C PRO B 2 9.319 -13.951 -8.763 1.00 0.00 C ATOM 1081 O PRO B 2 8.960 -12.859 -9.159 1.00 0.00 O ATOM 1082 CB PRO B 2 11.609 -14.609 -9.679 1.00 0.00 C ATOM 1083 CG PRO B 2 12.008 -14.231 -11.136 1.00 0.00 C ATOM 1084 CD PRO B 2 10.728 -14.281 -12.000 1.00 0.00 C ATOM 0 HA PRO B 2 9.892 -15.920 -9.303 1.00 0.00 H new ATOM 0 HB2 PRO B 2 11.836 -13.791 -8.995 1.00 0.00 H new ATOM 0 HB3 PRO B 2 12.176 -15.476 -9.339 1.00 0.00 H new ATOM 0 HG2 PRO B 2 12.451 -13.235 -11.165 1.00 0.00 H new ATOM 0 HG3 PRO B 2 12.756 -14.924 -11.520 1.00 0.00 H new ATOM 0 HD2 PRO B 2 10.499 -13.303 -12.423 1.00 0.00 H new ATOM 0 HD3 PRO B 2 10.842 -14.971 -12.836 1.00 0.00 H new ATOM 1092 N MET B 3 9.064 -14.348 -7.546 1.00 0.00 N ATOM 1093 CA MET B 3 8.319 -13.458 -6.612 1.00 0.00 C ATOM 1094 C MET B 3 9.271 -12.402 -6.045 1.00 0.00 C ATOM 1095 O MET B 3 10.384 -12.699 -5.662 1.00 0.00 O ATOM 1096 CB MET B 3 7.742 -14.293 -5.466 1.00 0.00 C ATOM 1097 CG MET B 3 6.694 -13.473 -4.712 1.00 0.00 C ATOM 1098 SD MET B 3 5.179 -13.377 -5.698 1.00 0.00 S ATOM 1099 CE MET B 3 4.012 -13.298 -4.316 1.00 0.00 C ATOM 0 H MET B 3 9.340 -15.250 -7.159 1.00 0.00 H new ATOM 0 HA MET B 3 7.508 -12.965 -7.148 1.00 0.00 H new ATOM 0 HB2 MET B 3 7.292 -15.205 -5.858 1.00 0.00 H new ATOM 0 HB3 MET B 3 8.539 -14.597 -4.787 1.00 0.00 H new ATOM 0 HG2 MET B 3 6.483 -13.932 -3.746 1.00 0.00 H new ATOM 0 HG3 MET B 3 7.075 -12.471 -4.513 1.00 0.00 H new ATOM 0 HE1 MET B 3 2.995 -13.233 -4.702 1.00 0.00 H new ATOM 0 HE2 MET B 3 4.111 -14.195 -3.704 1.00 0.00 H new ATOM 0 HE3 MET B 3 4.226 -12.419 -3.708 1.00 0.00 H new ATOM 1109 N GLY B 4 8.842 -11.170 -5.988 1.00 0.00 N ATOM 1110 CA GLY B 4 9.726 -10.100 -5.445 1.00 0.00 C ATOM 1111 C GLY B 4 10.245 -10.520 -4.068 1.00 0.00 C ATOM 1112 O GLY B 4 9.952 -11.598 -3.590 1.00 0.00 O ATOM 0 H GLY B 4 7.920 -10.859 -6.293 1.00 0.00 H new ATOM 0 HA2 GLY B 4 10.561 -9.924 -6.123 1.00 0.00 H new ATOM 0 HA3 GLY B 4 9.176 -9.162 -5.368 1.00 0.00 H new ATOM 1116 N SER B 5 11.020 -9.683 -3.426 1.00 0.00 N ATOM 1117 CA SER B 5 11.561 -10.045 -2.081 1.00 0.00 C ATOM 1118 C SER B 5 10.558 -9.631 -0.989 1.00 0.00 C ATOM 1119 O SER B 5 10.003 -10.463 -0.300 1.00 0.00 O ATOM 1120 CB SER B 5 12.918 -9.350 -1.877 1.00 0.00 C ATOM 1121 OG SER B 5 13.901 -10.333 -1.580 1.00 0.00 O ATOM 0 H SER B 5 11.301 -8.766 -3.774 1.00 0.00 H new ATOM 0 HA SER B 5 11.708 -11.123 -2.016 1.00 0.00 H new ATOM 0 HB2 SER B 5 13.197 -8.798 -2.774 1.00 0.00 H new ATOM 0 HB3 SER B 5 12.852 -8.626 -1.065 1.00 0.00 H new ATOM 0 HG SER B 5 14.770 -9.898 -1.450 1.00 0.00 H new ATOM 1127 N ASP B 6 10.320 -8.355 -0.830 1.00 0.00 N ATOM 1128 CA ASP B 6 9.353 -7.897 0.217 1.00 0.00 C ATOM 1129 C ASP B 6 8.822 -6.499 -0.144 1.00 0.00 C ATOM 1130 O ASP B 6 9.148 -5.536 0.521 1.00 0.00 O ATOM 1131 CB ASP B 6 10.055 -7.834 1.583 1.00 0.00 C ATOM 1132 CG ASP B 6 9.007 -7.801 2.698 1.00 0.00 C ATOM 1133 OD1 ASP B 6 8.104 -8.620 2.660 1.00 0.00 O ATOM 1134 OD2 ASP B 6 9.127 -6.958 3.572 1.00 0.00 O ATOM 0 H ASP B 6 10.751 -7.610 -1.378 1.00 0.00 H new ATOM 0 HA ASP B 6 8.523 -8.602 0.267 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.707 -8.699 1.708 1.00 0.00 H new ATOM 0 HB3 ASP B 6 10.687 -6.948 1.638 1.00 0.00 H new ATOM 1139 N PRO B 7 8.024 -6.417 -1.188 1.00 0.00 N ATOM 1140 CA PRO B 7 7.464 -5.124 -1.626 1.00 0.00 C ATOM 1141 C PRO B 7 6.509 -4.571 -0.544 1.00 0.00 C ATOM 1142 O PRO B 7 6.147 -5.285 0.370 1.00 0.00 O ATOM 1143 CB PRO B 7 6.709 -5.446 -2.939 1.00 0.00 C ATOM 1144 CG PRO B 7 6.811 -6.983 -3.176 1.00 0.00 C ATOM 1145 CD PRO B 7 7.627 -7.582 -2.008 1.00 0.00 C ATOM 0 HA PRO B 7 8.227 -4.361 -1.782 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.666 -5.138 -2.866 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.145 -4.900 -3.775 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.818 -7.431 -3.219 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.296 -7.192 -4.129 1.00 0.00 H new ATOM 0 HD2 PRO B 7 7.031 -8.288 -1.430 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.499 -8.125 -2.372 1.00 0.00 H new ATOM 1153 N PRO B 8 6.120 -3.317 -0.679 1.00 0.00 N ATOM 1154 CA PRO B 8 5.201 -2.678 0.288 1.00 0.00 C ATOM 1155 C PRO B 8 3.843 -3.398 0.277 1.00 0.00 C ATOM 1156 O PRO B 8 3.734 -4.535 -0.138 1.00 0.00 O ATOM 1157 CB PRO B 8 5.063 -1.215 -0.204 1.00 0.00 C ATOM 1158 CG PRO B 8 5.791 -1.117 -1.575 1.00 0.00 C ATOM 1159 CD PRO B 8 6.559 -2.440 -1.788 1.00 0.00 C ATOM 0 HA PRO B 8 5.569 -2.724 1.313 1.00 0.00 H new ATOM 0 HB2 PRO B 8 4.013 -0.941 -0.306 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.504 -0.525 0.515 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.073 -0.956 -2.380 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.477 -0.270 -1.585 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.325 -2.881 -2.757 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.637 -2.280 -1.762 1.00 0.00 H new ATOM 1167 N THR B 9 2.810 -2.738 0.731 1.00 0.00 N ATOM 1168 CA THR B 9 1.460 -3.371 0.747 1.00 0.00 C ATOM 1169 C THR B 9 0.386 -2.285 0.745 1.00 0.00 C ATOM 1170 O THR B 9 0.378 -1.401 1.577 1.00 0.00 O ATOM 1171 CB THR B 9 1.311 -4.226 2.006 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.474 -5.023 2.177 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.083 -5.130 1.871 1.00 0.00 C ATOM 0 H THR B 9 2.844 -1.785 1.092 1.00 0.00 H new ATOM 0 HA THR B 9 1.346 -3.999 -0.137 1.00 0.00 H new ATOM 0 HB THR B 9 1.186 -3.577 2.873 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.476 -5.409 3.078 1.00 0.00 H new ATOM 0 HG21 THR B 9 -0.021 -5.739 2.769 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.808 -4.516 1.743 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.203 -5.780 1.004 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.522 -2.350 -0.187 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.601 -1.329 -0.251 1.00 0.00 C ATOM 1183 C ALA B 10 -2.537 -1.497 0.945 1.00 0.00 C ATOM 1184 O ALA B 10 -3.590 -2.095 0.839 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.391 -1.517 -1.544 1.00 0.00 C ATOM 0 H ALA B 10 -0.563 -3.069 -0.909 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.162 -0.331 -0.228 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.184 -0.771 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.724 -1.399 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.829 -2.515 -1.561 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.164 -0.965 2.081 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.025 -1.076 3.300 1.00 0.00 C ATOM 1193 C CYS B 11 -3.624 0.298 3.604 1.00 0.00 C ATOM 1194 O CYS B 11 -2.962 1.311 3.492 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.172 -1.537 4.485 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.355 -3.099 4.069 1.00 0.00 S ATOM 0 H CYS B 11 -1.292 -0.454 2.218 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.823 -1.799 3.130 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.428 -0.779 4.728 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.797 -1.665 5.369 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.873 0.345 3.977 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.508 1.658 4.276 1.00 0.00 C ATOM 1203 C CYS B 12 -4.980 2.191 5.609 1.00 0.00 C ATOM 1204 O CYS B 12 -4.749 1.445 6.540 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.026 1.485 4.361 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.675 1.033 2.734 1.00 0.00 S ATOM 0 H CYS B 12 -5.480 -0.467 4.087 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.267 2.365 3.482 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.274 0.714 5.090 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.489 2.410 4.705 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.794 3.483 5.707 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.286 4.087 6.977 1.00 0.00 C ATOM 1213 C PHE B 13 -5.460 4.731 7.719 1.00 0.00 C ATOM 1214 O PHE B 13 -5.396 4.995 8.902 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.244 5.160 6.647 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.910 6.290 5.898 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.210 6.145 4.531 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.236 7.484 6.570 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.836 7.196 3.834 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.863 8.535 5.872 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.161 8.390 4.504 1.00 0.00 C ATOM 0 H PHE B 13 -4.973 4.150 4.957 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.829 3.318 7.599 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.789 5.535 7.564 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.443 4.732 6.045 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.960 5.229 4.017 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.006 7.594 7.619 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.067 7.086 2.785 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.115 9.451 6.386 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.640 9.196 3.968 1.00 0.00 H new ATOM 1231 N SER B 14 -6.532 4.982 7.019 1.00 0.00 N ATOM 1232 CA SER B 14 -7.723 5.606 7.659 1.00 0.00 C ATOM 1233 C SER B 14 -8.963 5.267 6.832 1.00 0.00 C ATOM 1234 O SER B 14 -9.019 4.247 6.175 1.00 0.00 O ATOM 1235 CB SER B 14 -7.541 7.123 7.708 1.00 0.00 C ATOM 1236 OG SER B 14 -7.562 7.642 6.384 1.00 0.00 O ATOM 0 H SER B 14 -6.634 4.780 6.024 1.00 0.00 H new ATOM 0 HA SER B 14 -7.839 5.226 8.674 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.335 7.577 8.301 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.597 7.372 8.194 1.00 0.00 H new ATOM 0 HG SER B 14 -6.713 8.094 6.196 1.00 0.00 H new ATOM 1242 N TYR B 15 -9.961 6.109 6.856 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.197 5.825 6.067 1.00 0.00 C ATOM 1244 C TYR B 15 -11.901 7.139 5.737 1.00 0.00 C ATOM 1245 O TYR B 15 -11.672 8.154 6.364 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.137 4.930 6.887 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.331 3.890 7.628 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -11.048 2.651 7.023 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -10.861 4.163 8.928 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.295 1.685 7.716 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.108 3.196 9.620 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.825 1.958 9.016 1.00 0.00 C ATOM 1253 OH TYR B 15 -9.087 1.010 9.695 1.00 0.00 O ATOM 0 H TYR B 15 -9.975 6.980 7.387 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.928 5.314 5.142 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.706 5.534 7.593 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.858 4.445 6.229 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.409 2.442 6.027 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.078 5.113 9.393 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -10.077 0.735 7.252 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -9.747 3.405 10.616 1.00 0.00 H new ATOM 0 HH TYR B 15 -8.840 1.358 10.577 1.00 0.00 H new ATOM 1263 N THR B 16 -12.762 7.130 4.758 1.00 0.00 N ATOM 1264 CA THR B 16 -13.480 8.382 4.398 1.00 0.00 C ATOM 1265 C THR B 16 -14.284 8.862 5.608 1.00 0.00 C ATOM 1266 O THR B 16 -14.043 8.448 6.725 1.00 0.00 O ATOM 1267 CB THR B 16 -14.409 8.124 3.204 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.159 9.296 2.920 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.361 6.970 3.519 1.00 0.00 C ATOM 0 H THR B 16 -12.998 6.313 4.194 1.00 0.00 H new ATOM 0 HA THR B 16 -12.763 9.153 4.116 1.00 0.00 H new ATOM 0 HB THR B 16 -13.805 7.860 2.336 1.00 0.00 H new ATOM 0 HG1 THR B 16 -14.561 10.072 2.910 1.00 0.00 H new ATOM 0 HG21 THR B 16 -16.016 6.795 2.665 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.784 6.068 3.725 1.00 0.00 H new ATOM 0 HG23 THR B 16 -15.963 7.223 4.392 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.235 9.731 5.400 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.056 10.244 6.538 1.00 0.00 C ATOM 1279 C ALA B 17 -17.498 10.399 6.067 1.00 0.00 C ATOM 1280 O ALA B 17 -18.309 11.040 6.707 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.516 11.605 6.979 1.00 0.00 C ATOM 0 H ALA B 17 -15.481 10.111 4.486 1.00 0.00 H new ATOM 0 HA ALA B 17 -16.010 9.549 7.376 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.113 11.982 7.809 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.479 11.499 7.297 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.571 12.305 6.146 1.00 0.00 H new ATOM 1287 N ARG B 18 -17.821 9.815 4.944 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.208 9.916 4.407 1.00 0.00 C ATOM 1289 C ARG B 18 -19.597 8.588 3.757 1.00 0.00 C ATOM 1290 O ARG B 18 -18.903 8.077 2.901 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.260 11.030 3.361 1.00 0.00 C ATOM 1292 CG ARG B 18 -18.648 12.305 3.948 1.00 0.00 C ATOM 1293 CD ARG B 18 -19.047 13.506 3.093 1.00 0.00 C ATOM 1294 NE ARG B 18 -18.713 13.237 1.667 1.00 0.00 N ATOM 1295 CZ ARG B 18 -19.224 13.980 0.724 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -20.030 14.960 1.032 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -18.932 13.743 -0.525 1.00 0.00 N ATOM 0 H ARG B 18 -17.178 9.268 4.372 1.00 0.00 H new ATOM 0 HA ARG B 18 -19.902 10.141 5.217 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.715 10.730 2.466 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.291 11.213 3.059 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -18.990 12.446 4.973 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -17.562 12.216 3.984 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -20.115 13.700 3.197 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -18.526 14.399 3.437 1.00 0.00 H new ATOM 0 HE ARG B 18 -18.084 12.471 1.427 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -20.259 15.144 2.009 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -20.430 15.542 0.296 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -18.304 12.976 -0.765 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -19.332 14.324 -1.261 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.703 8.025 4.155 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.139 6.733 3.560 1.00 0.00 C ATOM 1313 C LYS B 19 -21.405 6.941 2.066 1.00 0.00 C ATOM 1314 O LYS B 19 -22.148 7.820 1.677 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.412 6.263 4.276 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.044 5.081 3.546 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.255 4.606 4.348 1.00 0.00 C ATOM 1318 CE LYS B 19 -25.091 3.659 3.497 1.00 0.00 C ATOM 1319 NZ LYS B 19 -25.891 4.448 2.518 1.00 0.00 N ATOM 0 H LYS B 19 -21.325 8.405 4.868 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.366 5.974 3.678 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.173 5.977 5.300 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.126 7.084 4.333 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.347 5.375 2.541 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.321 4.273 3.437 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -23.927 4.101 5.257 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -24.857 5.460 4.658 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -24.443 2.957 2.972 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -25.752 3.069 4.132 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -25.902 3.956 1.602 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -26.865 4.550 2.868 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.465 5.389 2.400 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.796 6.146 1.228 1.00 0.00 N ATOM 1334 CA LEU B 20 -21.004 6.307 -0.239 1.00 0.00 C ATOM 1335 C LEU B 20 -22.409 5.796 -0.632 1.00 0.00 C ATOM 1336 O LEU B 20 -22.674 4.622 -0.464 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.966 5.467 -0.991 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.576 5.672 -0.389 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.542 5.004 -1.294 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.264 7.169 -0.285 1.00 0.00 C ATOM 0 H LEU B 20 -20.164 5.392 1.496 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.906 7.362 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.238 4.413 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.958 5.746 -2.045 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.544 5.232 0.608 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.546 5.144 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.758 3.938 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.583 5.452 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.272 7.305 0.145 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.293 7.617 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -19.005 7.652 0.352 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.276 6.647 -1.162 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.616 6.187 -1.573 1.00 0.00 C ATOM 1354 C PRO B 21 -24.481 5.044 -2.582 1.00 0.00 C ATOM 1355 O PRO B 21 -23.573 5.027 -3.387 1.00 0.00 O ATOM 1356 CB PRO B 21 -25.279 7.421 -2.228 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.348 8.637 -1.968 1.00 0.00 C ATOM 1358 CD PRO B 21 -23.026 8.090 -1.390 1.00 0.00 C ATOM 0 HA PRO B 21 -25.206 5.810 -0.738 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.414 7.262 -3.298 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -26.268 7.596 -1.804 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -24.165 9.185 -2.892 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.813 9.334 -1.271 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -22.199 8.243 -2.083 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.761 8.596 -0.462 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.386 4.103 -2.566 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.303 2.992 -3.554 1.00 0.00 C ATOM 1368 C ARG B 22 -25.125 3.600 -4.946 1.00 0.00 C ATOM 1369 O ARG B 22 -24.482 3.038 -5.810 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.595 2.168 -3.513 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.404 0.853 -4.290 1.00 0.00 C ATOM 1372 CD ARG B 22 -25.674 -0.195 -3.416 1.00 0.00 C ATOM 1373 NE ARG B 22 -24.591 -0.864 -4.211 1.00 0.00 N ATOM 1374 CZ ARG B 22 -24.812 -1.312 -5.421 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -26.011 -1.275 -5.931 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -23.830 -1.825 -6.110 1.00 0.00 N ATOM 0 H ARG B 22 -26.172 4.056 -1.918 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.462 2.340 -3.318 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.867 1.953 -2.479 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.415 2.740 -3.946 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -27.374 0.464 -4.600 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -25.830 1.041 -5.198 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -25.246 0.287 -2.537 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -26.385 -0.939 -3.057 1.00 0.00 H new ATOM 0 HE ARG B 22 -23.664 -0.972 -3.800 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -26.785 -0.895 -5.387 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -26.175 -1.626 -6.875 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -22.895 -1.876 -5.705 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -23.997 -2.175 -7.053 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.689 4.761 -5.156 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.557 5.435 -6.477 1.00 0.00 C ATOM 1392 C ASN B 23 -24.129 5.960 -6.640 1.00 0.00 C ATOM 1393 O ASN B 23 -23.862 6.801 -7.475 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.542 6.603 -6.555 1.00 0.00 C ATOM 1395 CG ASN B 23 -26.623 7.108 -7.996 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -27.217 6.471 -8.844 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -26.046 8.235 -8.314 1.00 0.00 N ATOM 0 H ASN B 23 -26.238 5.272 -4.464 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.776 4.722 -7.272 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -27.527 6.285 -6.214 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -26.221 7.408 -5.894 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -26.094 8.580 -9.273 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -25.547 8.771 -7.604 1.00 0.00 H new ATOM 1404 N PHE B 24 -23.210 5.484 -5.840 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.795 5.965 -5.943 1.00 0.00 C ATOM 1406 C PHE B 24 -20.837 4.795 -5.677 1.00 0.00 C ATOM 1407 O PHE B 24 -19.735 4.983 -5.204 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.567 7.072 -4.898 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.377 7.936 -5.272 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.372 8.651 -6.490 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.277 8.038 -4.395 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.271 9.460 -6.826 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -18.176 8.849 -4.735 1.00 0.00 C ATOM 1414 CZ PHE B 24 -18.174 9.559 -5.949 1.00 0.00 C ATOM 0 H PHE B 24 -23.376 4.782 -5.119 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.608 6.360 -6.942 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.460 7.692 -4.819 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.402 6.624 -3.918 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -21.213 8.577 -7.163 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.279 7.494 -3.462 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.267 10.006 -7.758 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.334 8.925 -4.063 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.330 10.181 -6.209 1.00 0.00 H new ATOM 1424 N VAL B 25 -21.252 3.589 -5.976 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.368 2.405 -5.738 1.00 0.00 C ATOM 1426 C VAL B 25 -20.666 1.325 -6.785 1.00 0.00 C ATOM 1427 O VAL B 25 -21.563 0.521 -6.622 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.634 1.841 -4.337 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.656 0.702 -4.044 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.444 2.944 -3.293 1.00 0.00 C ATOM 0 H VAL B 25 -22.165 3.373 -6.375 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.325 2.711 -5.816 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.656 1.466 -4.293 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.849 0.304 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.787 -0.089 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.634 1.078 -4.093 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.634 2.540 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.422 3.320 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -21.141 3.758 -3.493 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.917 1.297 -7.858 1.00 0.00 N ATOM 1441 CA VAL B 26 -20.151 0.269 -8.913 1.00 0.00 C ATOM 1442 C VAL B 26 -19.379 -1.002 -8.563 1.00 0.00 C ATOM 1443 O VAL B 26 -19.602 -2.050 -9.137 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.653 0.799 -10.265 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.681 1.762 -10.861 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.327 1.536 -10.061 1.00 0.00 C ATOM 0 H VAL B 26 -19.152 1.944 -8.048 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.217 0.050 -8.973 1.00 0.00 H new ATOM 0 HB VAL B 26 -19.511 -0.039 -10.948 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -20.319 2.133 -11.820 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.627 1.240 -11.007 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.831 2.601 -10.181 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -17.970 1.914 -11.019 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -18.476 2.370 -9.375 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.590 0.850 -9.644 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.468 -0.924 -7.636 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.687 -2.137 -7.275 1.00 0.00 C ATOM 1458 C ASP B 27 -16.878 -1.865 -6.015 1.00 0.00 C ATOM 1459 O ASP B 27 -17.032 -0.845 -5.372 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.735 -2.481 -8.424 1.00 0.00 C ATOM 1461 CG ASP B 27 -16.167 -3.886 -8.216 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.928 -4.761 -7.836 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -14.981 -4.063 -8.440 1.00 0.00 O ATOM 0 H ASP B 27 -18.231 -0.079 -7.116 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.367 -2.970 -7.096 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.264 -2.429 -9.376 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.925 -1.753 -8.469 1.00 0.00 H new ATOM 1468 N TYR B 28 -16.011 -2.769 -5.651 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.192 -2.555 -4.431 1.00 0.00 C ATOM 1470 C TYR B 28 -13.909 -3.374 -4.517 1.00 0.00 C ATOM 1471 O TYR B 28 -13.617 -4.007 -5.513 1.00 0.00 O ATOM 1472 CB TYR B 28 -15.988 -2.955 -3.183 1.00 0.00 C ATOM 1473 CG TYR B 28 -16.103 -4.464 -3.076 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.787 -5.195 -4.068 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.535 -5.137 -1.975 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.901 -6.594 -3.959 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.650 -6.533 -1.864 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.333 -7.264 -2.856 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.447 -8.635 -2.749 1.00 0.00 O ATOM 0 H TYR B 28 -15.836 -3.644 -6.146 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.935 -1.498 -4.359 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.499 -2.559 -2.293 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.983 -2.512 -3.224 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.224 -4.682 -4.912 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -15.010 -4.578 -1.215 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.424 -7.154 -4.720 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.215 -7.045 -1.019 1.00 0.00 H new ATOM 0 HH TYR B 28 -16.000 -8.938 -1.931 1.00 0.00 H new ATOM 1489 N TYR B 29 -13.137 -3.341 -3.477 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.854 -4.084 -3.466 1.00 0.00 C ATOM 1491 C TYR B 29 -11.401 -4.236 -2.009 1.00 0.00 C ATOM 1492 O TYR B 29 -11.554 -3.334 -1.215 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.833 -3.279 -4.287 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.423 -3.707 -3.957 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -9.000 -5.011 -4.268 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.534 -2.803 -3.343 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.686 -5.416 -3.963 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.220 -3.206 -3.038 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.796 -4.513 -3.348 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.508 -4.909 -3.050 1.00 0.00 O ATOM 0 H TYR B 29 -13.342 -2.824 -2.622 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.955 -5.077 -3.905 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -11.022 -3.422 -5.351 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.952 -2.215 -4.082 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.682 -5.702 -4.741 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.860 -1.801 -3.106 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.361 -6.418 -4.200 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.538 -2.514 -2.567 1.00 0.00 H new ATOM 0 HH TYR B 29 -5.026 -4.166 -2.630 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.852 -5.364 -1.641 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.400 -5.552 -0.224 1.00 0.00 C ATOM 1512 C GLU B 30 -8.893 -5.288 -0.133 1.00 0.00 C ATOM 1513 O GLU B 30 -8.170 -5.415 -1.101 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.700 -6.985 0.220 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.190 -7.125 0.540 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.516 -8.594 0.819 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -11.734 -9.440 0.419 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.543 -8.846 1.428 1.00 0.00 O ATOM 0 H GLU B 30 -10.696 -6.163 -2.256 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.930 -4.855 0.426 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.420 -7.686 -0.566 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.105 -7.236 1.098 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.446 -6.514 1.406 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.788 -6.761 -0.295 1.00 0.00 H new ATOM 1525 N THR B 31 -8.419 -4.911 1.023 1.00 0.00 N ATOM 1526 CA THR B 31 -6.961 -4.624 1.185 1.00 0.00 C ATOM 1527 C THR B 31 -6.160 -5.928 1.181 1.00 0.00 C ATOM 1528 O THR B 31 -6.659 -6.980 0.834 1.00 0.00 O ATOM 1529 CB THR B 31 -6.739 -3.904 2.519 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.493 -4.555 3.521 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.189 -2.446 2.392 1.00 0.00 C ATOM 0 H THR B 31 -8.979 -4.788 1.867 1.00 0.00 H new ATOM 0 HA THR B 31 -6.626 -3.999 0.357 1.00 0.00 H new ATOM 0 HB THR B 31 -5.682 -3.927 2.785 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.592 -5.503 3.292 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.032 -1.933 3.341 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.609 -1.953 1.612 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.247 -2.413 2.133 1.00 0.00 H new ATOM 1539 N SER B 32 -4.914 -5.855 1.567 1.00 0.00 N ATOM 1540 CA SER B 32 -4.059 -7.074 1.595 1.00 0.00 C ATOM 1541 C SER B 32 -4.286 -7.829 2.903 1.00 0.00 C ATOM 1542 O SER B 32 -5.378 -7.862 3.436 1.00 0.00 O ATOM 1543 CB SER B 32 -2.590 -6.662 1.500 1.00 0.00 C ATOM 1544 OG SER B 32 -1.798 -7.807 1.213 1.00 0.00 O ATOM 0 H SER B 32 -4.450 -4.997 1.866 1.00 0.00 H new ATOM 0 HA SER B 32 -4.317 -7.718 0.754 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.461 -5.912 0.720 1.00 0.00 H new ATOM 0 HB3 SER B 32 -2.267 -6.208 2.436 1.00 0.00 H new ATOM 0 HG SER B 32 -1.100 -7.569 0.568 1.00 0.00 H new ATOM 1550 N SER B 33 -3.256 -8.438 3.421 1.00 0.00 N ATOM 1551 CA SER B 33 -3.384 -9.204 4.698 1.00 0.00 C ATOM 1552 C SER B 33 -2.126 -8.986 5.534 1.00 0.00 C ATOM 1553 O SER B 33 -2.176 -8.906 6.745 1.00 0.00 O ATOM 1554 CB SER B 33 -3.512 -10.689 4.376 1.00 0.00 C ATOM 1555 OG SER B 33 -2.220 -11.228 4.129 1.00 0.00 O ATOM 0 H SER B 33 -2.321 -8.439 3.012 1.00 0.00 H new ATOM 0 HA SER B 33 -4.262 -8.866 5.248 1.00 0.00 H new ATOM 0 HB2 SER B 33 -3.985 -11.214 5.206 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.151 -10.830 3.504 1.00 0.00 H new ATOM 0 HG SER B 33 -2.298 -12.183 3.923 1.00 0.00 H new ATOM 1561 N LEU B 34 -1.000 -8.899 4.880 1.00 0.00 N ATOM 1562 CA LEU B 34 0.294 -8.691 5.595 1.00 0.00 C ATOM 1563 C LEU B 34 0.114 -7.696 6.742 1.00 0.00 C ATOM 1564 O LEU B 34 0.412 -7.983 7.885 1.00 0.00 O ATOM 1565 CB LEU B 34 1.332 -8.135 4.618 1.00 0.00 C ATOM 1566 CG LEU B 34 1.260 -8.883 3.288 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.419 -8.437 2.394 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.356 -10.391 3.539 1.00 0.00 C ATOM 0 H LEU B 34 -0.920 -8.964 3.865 1.00 0.00 H new ATOM 0 HA LEU B 34 0.629 -9.647 5.997 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.156 -7.072 4.455 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.331 -8.231 5.044 1.00 0.00 H new ATOM 0 HG LEU B 34 0.313 -8.661 2.796 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.371 -8.969 1.444 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.347 -7.364 2.214 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.365 -8.660 2.887 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.304 -10.922 2.589 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.302 -10.619 4.031 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.530 -10.707 4.177 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.369 -6.526 6.441 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.566 -5.507 7.508 1.00 0.00 C ATOM 1582 C CYS B 35 -1.703 -5.957 8.431 1.00 0.00 C ATOM 1583 O CYS B 35 -2.770 -6.319 7.987 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.905 -4.156 6.869 1.00 0.00 C ATOM 1585 SG CYS B 35 -2.019 -4.403 5.464 1.00 0.00 S ATOM 0 H CYS B 35 -0.636 -6.230 5.502 1.00 0.00 H new ATOM 0 HA CYS B 35 0.348 -5.401 8.092 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.373 -3.503 7.605 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.008 -3.661 6.538 1.00 0.00 H new ATOM 1590 N SER B 36 -1.465 -5.962 9.712 1.00 0.00 N ATOM 1591 CA SER B 36 -2.516 -6.402 10.676 1.00 0.00 C ATOM 1592 C SER B 36 -3.707 -5.430 10.692 1.00 0.00 C ATOM 1593 O SER B 36 -4.338 -5.252 11.714 1.00 0.00 O ATOM 1594 CB SER B 36 -1.909 -6.475 12.078 1.00 0.00 C ATOM 1595 OG SER B 36 -2.831 -7.110 12.956 1.00 0.00 O ATOM 0 H SER B 36 -0.582 -5.679 10.137 1.00 0.00 H new ATOM 0 HA SER B 36 -2.879 -7.381 10.363 1.00 0.00 H new ATOM 0 HB2 SER B 36 -0.972 -7.030 12.053 1.00 0.00 H new ATOM 0 HB3 SER B 36 -1.676 -5.473 12.439 1.00 0.00 H new ATOM 0 HG SER B 36 -3.703 -6.667 12.891 1.00 0.00 H new ATOM 1601 N GLN B 37 -4.032 -4.794 9.593 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.192 -3.847 9.616 1.00 0.00 C ATOM 1603 C GLN B 37 -5.806 -3.696 8.215 1.00 0.00 C ATOM 1604 O GLN B 37 -5.737 -2.632 7.637 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.714 -2.477 10.108 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.408 -2.101 9.404 1.00 0.00 C ATOM 1607 CD GLN B 37 -3.034 -0.660 9.756 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -3.419 -0.156 10.792 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -2.294 0.028 8.931 1.00 0.00 N ATOM 0 H GLN B 37 -3.555 -4.886 8.696 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.953 -4.246 10.287 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.475 -1.723 9.909 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.563 -2.500 11.187 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.611 -2.779 9.708 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.521 -2.205 8.325 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -1.971 -0.396 8.061 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -2.038 0.990 9.156 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.409 -4.751 7.713 1.00 0.00 N ATOM 1619 CA PRO B 38 -7.056 -4.712 6.386 1.00 0.00 C ATOM 1620 C PRO B 38 -8.304 -3.819 6.460 1.00 0.00 C ATOM 1621 O PRO B 38 -8.627 -3.263 7.491 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.437 -6.183 6.091 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.163 -7.004 7.386 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.493 -6.056 8.406 1.00 0.00 C ATOM 0 HA PRO B 38 -6.415 -4.303 5.605 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.486 -6.258 5.804 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.850 -6.572 5.259 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.093 -7.405 7.789 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.516 -7.854 7.171 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -7.081 -5.981 9.321 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.505 -6.417 8.691 1.00 0.00 H new ATOM 1632 N ALA B 39 -9.000 -3.688 5.371 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.224 -2.852 5.344 1.00 0.00 C ATOM 1634 C ALA B 39 -10.910 -3.072 4.000 1.00 0.00 C ATOM 1635 O ALA B 39 -10.342 -3.667 3.106 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.845 -1.376 5.489 1.00 0.00 C ATOM 0 H ALA B 39 -8.768 -4.133 4.483 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.889 -3.125 6.164 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.747 -0.765 5.469 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.326 -1.225 6.435 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.192 -1.086 4.666 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.108 -2.582 3.831 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.799 -2.752 2.518 1.00 0.00 C ATOM 1644 C VAL B 40 -12.598 -1.465 1.723 1.00 0.00 C ATOM 1645 O VAL B 40 -12.553 -0.384 2.276 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.296 -3.010 2.737 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -15.059 -2.786 1.427 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.494 -4.459 3.184 1.00 0.00 C ATOM 0 H VAL B 40 -12.637 -2.074 4.540 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.388 -3.604 1.977 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.672 -2.326 3.498 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.121 -2.971 1.588 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.916 -1.758 1.094 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.684 -3.470 0.666 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.556 -4.649 3.342 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -14.115 -5.132 2.415 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.953 -4.630 4.115 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.459 -1.582 0.431 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.236 -0.379 -0.430 1.00 0.00 C ATOM 1660 C VAL B 41 -13.361 -0.276 -1.462 1.00 0.00 C ATOM 1661 O VAL B 41 -13.519 -1.131 -2.306 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.886 -0.532 -1.133 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.410 0.816 -1.665 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.859 -1.064 -0.131 1.00 0.00 C ATOM 0 H VAL B 41 -12.490 -2.468 -0.073 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.234 0.528 0.175 1.00 0.00 H new ATOM 0 HB VAL B 41 -10.996 -1.225 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.448 0.692 -2.163 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.139 1.205 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.302 1.516 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.894 -1.176 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.763 -0.364 0.699 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.187 -2.032 0.247 1.00 0.00 H new ATOM 1674 N PHE B 42 -14.155 0.759 -1.399 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.279 0.896 -2.374 1.00 0.00 C ATOM 1676 C PHE B 42 -14.810 1.646 -3.623 1.00 0.00 C ATOM 1677 O PHE B 42 -14.154 2.666 -3.543 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.431 1.683 -1.735 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.177 0.808 -0.751 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.867 -0.335 -1.204 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.197 1.142 0.618 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.570 -1.142 -0.290 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.902 0.337 1.530 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.588 -0.806 1.077 1.00 0.00 C ATOM 0 H PHE B 42 -14.076 1.514 -0.718 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.617 -0.103 -2.651 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -16.041 2.565 -1.226 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -17.113 2.037 -2.508 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.856 -0.591 -2.253 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.670 2.018 0.967 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -19.096 -2.019 -0.637 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.917 0.596 2.578 1.00 0.00 H new ATOM 0 HZ PHE B 42 -19.128 -1.425 1.778 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.177 1.157 -4.776 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.804 1.837 -6.050 1.00 0.00 C ATOM 1696 C GLN B 43 -16.007 2.687 -6.470 1.00 0.00 C ATOM 1697 O GLN B 43 -17.101 2.172 -6.619 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.505 0.774 -7.109 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.256 -0.012 -6.704 1.00 0.00 C ATOM 1700 CD GLN B 43 -13.063 -1.189 -7.662 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -13.099 -1.021 -8.864 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -12.857 -2.382 -7.177 1.00 0.00 N ATOM 0 H GLN B 43 -15.726 0.305 -4.891 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.920 2.464 -5.932 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.355 0.099 -7.212 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.352 1.245 -8.080 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.381 0.637 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.357 -0.374 -5.681 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -12.827 -2.524 -6.167 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -12.726 -3.173 -7.807 1.00 0.00 H new ATOM 1711 N THR B 44 -15.843 3.990 -6.611 1.00 0.00 N ATOM 1712 CA THR B 44 -17.030 4.850 -6.958 1.00 0.00 C ATOM 1713 C THR B 44 -17.087 5.166 -8.450 1.00 0.00 C ATOM 1714 O THR B 44 -16.507 4.486 -9.273 1.00 0.00 O ATOM 1715 CB THR B 44 -16.950 6.161 -6.179 1.00 0.00 C ATOM 1716 OG1 THR B 44 -16.086 7.056 -6.860 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.403 5.884 -4.778 1.00 0.00 C ATOM 0 H THR B 44 -14.958 4.485 -6.503 1.00 0.00 H new ATOM 0 HA THR B 44 -17.930 4.296 -6.692 1.00 0.00 H new ATOM 0 HB THR B 44 -17.942 6.604 -6.098 1.00 0.00 H new ATOM 0 HG1 THR B 44 -16.401 7.975 -6.732 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.345 6.818 -4.219 1.00 0.00 H new ATOM 0 HG22 THR B 44 -17.066 5.191 -4.259 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.408 5.445 -4.856 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.816 6.202 -8.792 1.00 0.00 N ATOM 1726 CA LYS B 45 -17.976 6.606 -10.221 1.00 0.00 C ATOM 1727 C LYS B 45 -17.265 7.939 -10.477 1.00 0.00 C ATOM 1728 O LYS B 45 -16.959 8.274 -11.604 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.468 6.765 -10.516 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.240 5.589 -9.902 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.579 5.397 -10.636 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.587 4.678 -9.726 1.00 0.00 C ATOM 1733 NZ LYS B 45 -23.467 3.805 -10.553 1.00 0.00 N ATOM 0 H LYS B 45 -18.315 6.793 -8.127 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.538 5.845 -10.867 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.832 7.707 -10.106 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.635 6.801 -11.593 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -19.645 4.678 -9.969 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -20.420 5.775 -8.843 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -21.978 6.365 -10.939 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.423 4.818 -11.546 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -22.060 4.081 -8.982 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -23.187 5.407 -9.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -24.440 3.848 -10.189 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -23.452 4.132 -11.540 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -23.124 2.824 -10.508 1.00 0.00 H new ATOM 1747 N ARG B 46 -17.006 8.705 -9.441 1.00 0.00 N ATOM 1748 CA ARG B 46 -16.318 10.026 -9.620 1.00 0.00 C ATOM 1749 C ARG B 46 -15.127 10.088 -8.659 1.00 0.00 C ATOM 1750 O ARG B 46 -14.923 11.050 -7.951 1.00 0.00 O ATOM 1751 CB ARG B 46 -17.315 11.166 -9.319 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.881 12.490 -9.992 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.816 13.227 -9.160 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.912 14.700 -9.421 1.00 0.00 N ATOM 1755 CZ ARG B 46 -15.906 15.177 -10.638 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -15.609 14.410 -11.650 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -16.139 16.446 -10.835 1.00 0.00 N ATOM 0 H ARG B 46 -17.242 8.471 -8.477 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.963 10.137 -10.644 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -18.308 10.886 -9.672 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.389 11.311 -8.241 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.486 12.281 -10.986 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.751 13.134 -10.123 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -15.963 13.024 -8.099 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.821 12.865 -9.419 1.00 0.00 H new ATOM 0 HE ARG B 46 -15.983 15.343 -8.633 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -15.379 13.428 -11.496 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -15.607 14.792 -12.596 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -16.324 17.060 -10.042 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -16.136 16.824 -11.782 1.00 0.00 H new ATOM 1771 N SER B 47 -14.333 9.058 -8.639 1.00 0.00 N ATOM 1772 CA SER B 47 -13.149 9.040 -7.753 1.00 0.00 C ATOM 1773 C SER B 47 -12.269 7.871 -8.177 1.00 0.00 C ATOM 1774 O SER B 47 -11.858 7.775 -9.315 1.00 0.00 O ATOM 1775 CB SER B 47 -13.577 8.889 -6.285 1.00 0.00 C ATOM 1776 OG SER B 47 -13.994 7.554 -6.041 1.00 0.00 O ATOM 0 H SER B 47 -14.458 8.220 -9.207 1.00 0.00 H new ATOM 0 HA SER B 47 -12.599 9.977 -7.839 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.748 9.147 -5.626 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.389 9.580 -6.060 1.00 0.00 H new ATOM 0 HG SER B 47 -14.902 7.426 -6.387 1.00 0.00 H new ATOM 1782 N LYS B 48 -11.999 6.979 -7.284 1.00 0.00 N ATOM 1783 CA LYS B 48 -11.162 5.800 -7.622 1.00 0.00 C ATOM 1784 C LYS B 48 -11.461 4.722 -6.587 1.00 0.00 C ATOM 1785 O LYS B 48 -12.344 3.905 -6.753 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.662 6.186 -7.570 1.00 0.00 C ATOM 1787 CG LYS B 48 -9.130 6.514 -8.975 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.608 6.669 -8.922 1.00 0.00 C ATOM 1789 CE LYS B 48 -7.053 6.745 -10.347 1.00 0.00 C ATOM 1790 NZ LYS B 48 -7.069 5.387 -10.959 1.00 0.00 N ATOM 0 H LYS B 48 -12.325 7.012 -6.318 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.384 5.441 -8.627 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.527 7.047 -6.915 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -9.086 5.366 -7.141 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.401 5.721 -9.672 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.587 7.433 -9.343 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -7.342 7.570 -8.368 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -7.164 5.826 -8.392 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -7.651 7.432 -10.945 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -6.036 7.137 -10.332 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -6.432 5.369 -11.781 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -6.751 4.687 -10.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -8.035 5.156 -11.266 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.724 4.742 -5.508 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.917 3.750 -4.415 1.00 0.00 C ATOM 1806 C GLN B 49 -11.110 4.508 -3.093 1.00 0.00 C ATOM 1807 O GLN B 49 -10.539 5.561 -2.881 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.659 2.861 -4.340 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.862 1.578 -5.155 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.620 0.694 -5.034 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -8.051 0.566 -3.967 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -8.169 0.073 -6.090 1.00 0.00 N ATOM 0 H GLN B 49 -9.981 5.420 -5.337 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.792 3.127 -4.602 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -8.796 3.408 -4.720 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.445 2.610 -3.301 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.740 1.041 -4.795 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -10.045 1.824 -6.201 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -8.645 0.179 -6.986 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -7.341 -0.518 -6.019 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.910 3.977 -2.205 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.147 4.653 -0.891 1.00 0.00 C ATOM 1823 C VAL B 50 -12.149 3.607 0.216 1.00 0.00 C ATOM 1824 O VAL B 50 -12.929 2.680 0.201 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.502 5.363 -0.917 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.628 6.260 0.314 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.606 6.209 -2.190 1.00 0.00 C ATOM 0 H VAL B 50 -12.413 3.099 -2.333 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.358 5.383 -0.709 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.305 4.626 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.593 6.767 0.298 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.553 5.653 1.216 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.829 7.001 0.308 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.570 6.716 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.806 6.949 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.516 5.564 -3.064 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.285 3.751 1.180 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.233 2.760 2.287 1.00 0.00 C ATOM 1839 C CYS B 51 -12.454 2.943 3.185 1.00 0.00 C ATOM 1840 O CYS B 51 -12.993 4.025 3.304 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.958 2.983 3.100 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.512 2.736 2.041 1.00 0.00 S ATOM 0 H CYS B 51 -10.612 4.514 1.249 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.232 1.749 1.880 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.950 3.991 3.514 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.926 2.292 3.943 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.904 1.886 3.809 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.105 1.987 4.695 1.00 0.00 C ATOM 1849 C ALA B 52 -13.927 1.077 5.913 1.00 0.00 C ATOM 1850 O ALA B 52 -13.476 -0.047 5.803 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.343 1.541 3.914 1.00 0.00 C ATOM 0 H ALA B 52 -12.492 0.955 3.744 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.224 3.018 5.027 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.222 1.612 4.554 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.475 2.184 3.043 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.215 0.509 3.587 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.283 1.559 7.073 1.00 0.00 N ATOM 1858 CA ASP B 53 -14.140 0.733 8.308 1.00 0.00 C ATOM 1859 C ASP B 53 -15.144 -0.447 8.261 1.00 0.00 C ATOM 1860 O ASP B 53 -16.334 -0.203 8.237 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.466 1.601 9.526 1.00 0.00 C ATOM 1862 CG ASP B 53 -13.347 2.620 9.743 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -13.436 3.699 9.179 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -12.420 2.307 10.472 1.00 0.00 O ATOM 0 H ASP B 53 -14.668 2.492 7.220 1.00 0.00 H new ATOM 0 HA ASP B 53 -13.121 0.351 8.374 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -15.415 2.115 9.376 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -14.579 0.975 10.411 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.679 -1.693 8.252 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.609 -2.844 8.212 1.00 0.00 C ATOM 1871 C PRO B 54 -16.493 -2.857 9.470 1.00 0.00 C ATOM 1872 O PRO B 54 -17.412 -3.642 9.585 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.702 -4.095 8.165 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.225 -3.609 8.228 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.243 -2.064 8.275 1.00 0.00 C ATOM 0 HA PRO B 54 -16.282 -2.802 7.355 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.922 -4.759 9.001 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.880 -4.662 7.251 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.726 -4.013 9.109 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.669 -3.959 7.358 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.754 -1.691 9.175 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.712 -1.638 7.424 1.00 0.00 H new ATOM 1883 N SER B 55 -16.209 -2.008 10.415 1.00 0.00 N ATOM 1884 CA SER B 55 -17.019 -1.990 11.667 1.00 0.00 C ATOM 1885 C SER B 55 -18.368 -1.317 11.407 1.00 0.00 C ATOM 1886 O SER B 55 -19.309 -1.488 12.156 1.00 0.00 O ATOM 1887 CB SER B 55 -16.266 -1.215 12.748 1.00 0.00 C ATOM 1888 OG SER B 55 -16.109 0.136 12.335 1.00 0.00 O ATOM 0 H SER B 55 -15.452 -1.325 10.377 1.00 0.00 H new ATOM 0 HA SER B 55 -17.188 -3.015 11.998 1.00 0.00 H new ATOM 0 HB2 SER B 55 -16.813 -1.258 13.690 1.00 0.00 H new ATOM 0 HB3 SER B 55 -15.291 -1.669 12.924 1.00 0.00 H new ATOM 0 HG SER B 55 -15.628 0.636 13.027 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.478 -0.558 10.351 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.776 0.115 10.053 1.00 0.00 C ATOM 1896 C GLU B 56 -20.707 -0.876 9.345 1.00 0.00 C ATOM 1897 O GLU B 56 -20.406 -1.393 8.288 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.525 1.332 9.160 1.00 0.00 C ATOM 1899 CG GLU B 56 -19.033 2.507 10.009 1.00 0.00 C ATOM 1900 CD GLU B 56 -20.200 3.076 10.819 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -20.982 3.820 10.251 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -20.292 2.756 11.993 1.00 0.00 O ATOM 0 H GLU B 56 -17.729 -0.375 9.683 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.244 0.446 10.980 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.786 1.088 8.397 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.442 1.607 8.639 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -18.238 2.178 10.678 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.610 3.281 9.368 1.00 0.00 H new ATOM 1909 N SER B 57 -21.829 -1.152 9.943 1.00 0.00 N ATOM 1910 CA SER B 57 -22.798 -2.121 9.354 1.00 0.00 C ATOM 1911 C SER B 57 -23.100 -1.801 7.884 1.00 0.00 C ATOM 1912 O SER B 57 -23.215 -2.692 7.067 1.00 0.00 O ATOM 1913 CB SER B 57 -24.100 -2.073 10.152 1.00 0.00 C ATOM 1914 OG SER B 57 -24.541 -0.726 10.253 1.00 0.00 O ATOM 0 H SER B 57 -22.123 -0.742 10.829 1.00 0.00 H new ATOM 0 HA SER B 57 -22.352 -3.115 9.400 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.862 -2.681 9.664 1.00 0.00 H new ATOM 0 HB3 SER B 57 -23.946 -2.493 11.146 1.00 0.00 H new ATOM 0 HG SER B 57 -25.377 -0.693 10.763 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.257 -0.553 7.535 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.583 -0.233 6.116 1.00 0.00 C ATOM 1922 C TRP B 58 -22.469 -0.737 5.202 1.00 0.00 C ATOM 1923 O TRP B 58 -22.694 -1.056 4.053 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.812 1.277 5.940 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.519 2.029 5.913 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -22.024 2.749 6.946 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.572 2.184 4.816 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.831 3.331 6.557 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.505 3.012 5.258 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.527 1.689 3.491 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.432 3.339 4.418 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.448 2.016 2.641 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.402 2.839 3.106 1.00 0.00 C ATOM 0 H TRP B 58 -23.175 0.248 8.161 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.508 -0.739 5.840 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.358 1.458 5.014 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.433 1.649 6.755 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.486 2.853 7.917 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -20.262 3.925 7.160 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.324 1.057 3.127 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.634 3.971 4.777 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.424 1.634 1.631 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.578 3.085 2.453 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.272 -0.833 5.704 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.160 -1.339 4.857 1.00 0.00 C ATOM 1946 C VAL B 59 -20.378 -2.825 4.600 1.00 0.00 C ATOM 1947 O VAL B 59 -20.287 -3.296 3.484 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.834 -1.123 5.582 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.683 -1.695 4.748 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.633 0.377 5.788 1.00 0.00 C ATOM 0 H VAL B 59 -21.016 -0.584 6.660 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.136 -0.804 3.908 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.850 -1.632 6.546 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.740 -1.537 5.272 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.839 -2.763 4.596 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.649 -1.192 3.781 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.689 0.550 6.305 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.613 0.878 4.820 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.453 0.775 6.386 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.679 -3.568 5.625 1.00 0.00 N ATOM 1961 CA GLN B 60 -20.917 -5.027 5.438 1.00 0.00 C ATOM 1962 C GLN B 60 -22.156 -5.230 4.560 1.00 0.00 C ATOM 1963 O GLN B 60 -22.212 -6.131 3.745 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.142 -5.686 6.800 1.00 0.00 C ATOM 1965 CG GLN B 60 -21.251 -7.202 6.624 1.00 0.00 C ATOM 1966 CD GLN B 60 -21.304 -7.874 7.997 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -22.102 -7.506 8.835 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -20.481 -8.851 8.263 1.00 0.00 N ATOM 0 H GLN B 60 -20.771 -3.231 6.583 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.050 -5.480 4.956 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -20.318 -5.446 7.472 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -22.051 -5.296 7.258 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -22.146 -7.449 6.052 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -20.398 -7.575 6.058 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -19.811 -9.160 7.559 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -20.508 -9.306 9.175 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.152 -4.403 4.724 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.392 -4.546 3.907 1.00 0.00 C ATOM 1979 C GLU B 61 -24.084 -4.286 2.431 1.00 0.00 C ATOM 1980 O GLU B 61 -24.476 -5.039 1.562 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.439 -3.540 4.393 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.779 -3.831 3.713 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.798 -2.763 4.115 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -28.358 -2.882 5.192 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -28.000 -1.843 3.339 1.00 0.00 O ATOM 0 H GLU B 61 -23.161 -3.631 5.391 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.775 -5.560 4.017 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.547 -3.605 5.476 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.116 -2.524 4.165 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.655 -3.841 2.630 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -27.138 -4.819 4.002 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.390 -3.221 2.140 1.00 0.00 N ATOM 1993 CA TYR B 62 -23.062 -2.909 0.717 1.00 0.00 C ATOM 1994 C TYR B 62 -22.205 -4.033 0.131 1.00 0.00 C ATOM 1995 O TYR B 62 -22.323 -4.372 -1.031 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.294 -1.576 0.642 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.257 -0.401 0.667 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.266 -0.318 1.652 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.144 0.615 -0.305 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.152 0.777 1.661 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -24.032 1.707 -0.293 1.00 0.00 C ATOM 2002 CZ TYR B 62 -25.036 1.788 0.689 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.906 2.858 0.698 1.00 0.00 O ATOM 0 H TYR B 62 -23.035 -2.553 2.824 1.00 0.00 H new ATOM 0 HA TYR B 62 -23.985 -2.823 0.144 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.600 -1.502 1.480 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.697 -1.545 -0.270 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.358 -1.094 2.398 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.374 0.555 -1.060 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.922 0.841 2.416 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.942 2.483 -1.038 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.686 3.464 -0.040 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.355 -4.624 0.921 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.512 -5.730 0.403 1.00 0.00 C ATOM 2015 C VAL B 63 -21.423 -6.893 0.046 1.00 0.00 C ATOM 2016 O VAL B 63 -21.260 -7.543 -0.966 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.515 -6.158 1.483 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.809 -7.449 1.058 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.476 -5.052 1.681 1.00 0.00 C ATOM 0 H VAL B 63 -21.209 -4.388 1.902 1.00 0.00 H new ATOM 0 HA VAL B 63 -19.957 -5.408 -0.478 1.00 0.00 H new ATOM 0 HB VAL B 63 -20.050 -6.332 2.417 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.101 -7.748 1.831 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.548 -8.238 0.918 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.275 -7.281 0.123 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.765 -5.354 2.450 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -17.946 -4.879 0.744 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -18.976 -4.134 1.990 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.390 -7.154 0.876 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.325 -8.269 0.598 1.00 0.00 C ATOM 2031 C TYR B 64 -24.096 -7.968 -0.684 1.00 0.00 C ATOM 2032 O TYR B 64 -24.273 -8.816 -1.533 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.307 -8.406 1.767 1.00 0.00 C ATOM 2034 CG TYR B 64 -24.967 -9.766 1.724 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.230 -10.916 2.067 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.318 -9.885 1.344 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -24.843 -12.184 2.028 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -26.931 -11.153 1.306 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.193 -12.302 1.648 1.00 0.00 C ATOM 2040 OH TYR B 64 -26.793 -13.543 1.611 1.00 0.00 O ATOM 0 H TYR B 64 -22.572 -6.640 1.738 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.769 -9.199 0.479 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.781 -8.276 2.713 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.063 -7.623 1.713 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.194 -10.826 2.360 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -26.884 -9.004 1.082 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.277 -13.066 2.290 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -27.967 -11.243 1.015 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.727 -13.447 1.330 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.556 -6.759 -0.821 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.323 -6.380 -2.040 1.00 0.00 C ATOM 2052 C ASP B 65 -24.434 -6.538 -3.276 1.00 0.00 C ATOM 2053 O ASP B 65 -24.891 -6.898 -4.342 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.771 -4.920 -1.912 1.00 0.00 C ATOM 2055 CG ASP B 65 -26.999 -4.833 -1.002 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -26.819 -4.829 0.206 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -28.099 -4.774 -1.527 1.00 0.00 O ATOM 0 H ASP B 65 -24.434 -6.011 -0.138 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.195 -7.026 -2.143 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.961 -4.316 -1.504 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -26.007 -4.515 -2.896 1.00 0.00 H new ATOM 2062 N LEU B 66 -23.168 -6.272 -3.137 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.241 -6.402 -4.295 1.00 0.00 C ATOM 2064 C LEU B 66 -22.029 -7.886 -4.611 1.00 0.00 C ATOM 2065 O LEU B 66 -21.808 -8.265 -5.745 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.904 -5.744 -3.930 1.00 0.00 C ATOM 2067 CG LEU B 66 -20.997 -4.213 -4.114 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.923 -3.522 -3.269 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.773 -3.837 -5.588 1.00 0.00 C ATOM 0 H LEU B 66 -22.732 -5.968 -2.267 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.661 -5.911 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.644 -5.979 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -20.109 -6.146 -4.558 1.00 0.00 H new ATOM 0 HG LEU B 66 -21.989 -3.890 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.993 -2.443 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -20.073 -3.768 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.937 -3.863 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.842 -2.755 -5.702 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.785 -4.173 -5.903 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.533 -4.316 -6.205 1.00 0.00 H new ATOM 2081 N GLU B 67 -22.101 -8.727 -3.620 1.00 0.00 N ATOM 2082 CA GLU B 67 -21.914 -10.187 -3.862 1.00 0.00 C ATOM 2083 C GLU B 67 -23.150 -10.739 -4.565 1.00 0.00 C ATOM 2084 O GLU B 67 -23.084 -11.703 -5.304 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.732 -10.902 -2.525 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.364 -10.550 -1.952 1.00 0.00 C ATOM 2087 CD GLU B 67 -20.190 -11.218 -0.586 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -21.195 -11.501 0.045 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -19.056 -11.434 -0.196 1.00 0.00 O ATOM 0 H GLU B 67 -22.282 -8.468 -2.650 1.00 0.00 H new ATOM 0 HA GLU B 67 -21.033 -10.347 -4.484 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.518 -10.606 -1.830 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -21.816 -11.980 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -19.578 -10.880 -2.632 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.267 -9.469 -1.854 1.00 0.00 H new ATOM 2096 N LEU B 68 -24.279 -10.130 -4.343 1.00 0.00 N ATOM 2097 CA LEU B 68 -25.529 -10.609 -4.998 1.00 0.00 C ATOM 2098 C LEU B 68 -25.545 -10.151 -6.459 1.00 0.00 C ATOM 2099 O LEU B 68 -24.697 -10.522 -7.245 1.00 0.00 O ATOM 2100 CB LEU B 68 -26.744 -10.037 -4.270 1.00 0.00 C ATOM 2101 CG LEU B 68 -26.795 -10.573 -2.836 1.00 0.00 C ATOM 2102 CD1 LEU B 68 -27.954 -9.900 -2.109 1.00 0.00 C ATOM 2103 CD2 LEU B 68 -27.003 -12.103 -2.836 1.00 0.00 C ATOM 0 H LEU B 68 -24.392 -9.319 -3.735 1.00 0.00 H new ATOM 0 HA LEU B 68 -25.565 -11.698 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU B 68 -26.692 -8.948 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU B 68 -27.657 -10.307 -4.801 1.00 0.00 H new ATOM 0 HG LEU B 68 -25.853 -10.355 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU B 68 -28.005 -10.270 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU B 68 -27.799 -8.821 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU B 68 -28.887 -10.127 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU B 68 -27.037 -12.466 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU B 68 -27.941 -12.343 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU B 68 -26.178 -12.582 -3.363 1.00 0.00 H new ATOM 2115 N ASN B 69 -26.506 -9.345 -6.831 1.00 0.00 N ATOM 2116 CA ASN B 69 -26.579 -8.863 -8.242 1.00 0.00 C ATOM 2117 C ASN B 69 -25.768 -7.573 -8.383 1.00 0.00 C ATOM 2118 O ASN B 69 -25.225 -7.351 -9.453 1.00 0.00 O ATOM 2119 CB ASN B 69 -28.039 -8.586 -8.610 1.00 0.00 C ATOM 2120 CG ASN B 69 -28.158 -8.396 -10.123 1.00 0.00 C ATOM 2121 OD1 ASN B 69 -28.641 -7.381 -10.583 1.00 0.00 O ATOM 2122 ND2 ASN B 69 -27.735 -9.338 -10.921 1.00 0.00 N ATOM 2123 OXT ASN B 69 -25.703 -6.829 -7.418 1.00 0.00 O ATOM 0 H ASN B 69 -27.244 -9.000 -6.217 1.00 0.00 H new ATOM 0 HA ASN B 69 -26.172 -9.624 -8.907 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -28.670 -9.414 -8.286 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -28.393 -7.694 -8.092 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -27.810 -9.222 -11.932 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -27.329 -10.190 -10.534 1.00 0.00 H new TER 2130 ASN B 69 HETATM 2131 O HOH A 201 6.754 1.747 5.730 1.00 0.00 O HETATM 2134 O HOH A 202 4.279 5.658 6.340 1.00 0.00 O HETATM 2137 O HOH B 301 -6.332 -1.501 5.553 1.00 0.00 O HETATM 2140 O HOH B 302 -4.403 -5.512 6.407 1.00 0.00 O