USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 38:sc= 0.511 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0682 USER MOD Single : A 5 SER OG : rot 28:sc= 0.399 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -166:sc= -1.14 (180deg=-2.18!) USER MOD Single : A 26 GLN : amide:sc=-0.00937 X(o=-0.0094,f=0) USER MOD Single : A 27 ASN : amide:sc=-0.00693 K(o=-0.0069,f=-0.56) USER MOD Single : A 29 THR OG1 : rot -66:sc= 0.181 USER MOD Single : A 34 LYS NZ :NH3+ 157:sc= 0.00534 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.76 K(o=-2.8,f=-7.1!) USER MOD Single : A 40 TYR OH : rot 133:sc= -1.18 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.897! C(o=-1.5!,f=-0.9!) USER MOD Single : A 44 LYS NZ :NH3+ -133:sc= 0.087 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -2.31 K(o=-2.3,f=-8.1!) USER MOD Single : A 52 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.94) USER MOD Single : A 53 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.42) 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 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 166:sc= 0.18 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.103 USER MOD Single : A 64 HIS : no HE2:sc= -2.89! C(o=-2.9!,f=-4.7!) USER MOD Single : A 66 THR OG1 : rot 70:sc= -0.278 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0145 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0491 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot -11:sc= 1.08 USER MOD Single : A 86 ASN : amide:sc= -2.77 K(o=-2.8,f=-11!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00171) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc=-0.00396 X(o=-0.004,f=-0.22) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 6:sc= 0.146 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.000 -25.875 -1.391 1.00 0.00 N ATOM 2 CA GLY A 1 5.587 -25.650 -1.140 1.00 0.00 C ATOM 3 C GLY A 1 4.926 -24.942 -2.325 1.00 0.00 C ATOM 4 O GLY A 1 5.105 -23.740 -2.513 1.00 0.00 O ATOM 0 H1 GLY A 1 7.426 -26.356 -0.573 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.112 -26.468 -2.238 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.475 -24.962 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.090 -26.603 -0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.465 -25.049 -0.239 1.00 0.00 H new ATOM 8 N SER A 2 4.175 -25.718 -3.093 1.00 0.00 N ATOM 9 CA SER A 2 3.487 -25.181 -4.254 1.00 0.00 C ATOM 10 C SER A 2 2.084 -25.783 -4.356 1.00 0.00 C ATOM 11 O SER A 2 1.931 -26.956 -4.692 1.00 0.00 O ATOM 12 CB SER A 2 4.275 -25.453 -5.537 1.00 0.00 C ATOM 13 OG SER A 2 4.523 -26.843 -5.726 1.00 0.00 O ATOM 0 H SER A 2 4.028 -26.715 -2.933 1.00 0.00 H new ATOM 0 HA SER A 2 3.405 -24.101 -4.132 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.722 -25.064 -6.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.223 -24.917 -5.501 1.00 0.00 H new ATOM 0 HG SER A 2 3.738 -27.357 -5.442 1.00 0.00 H new ATOM 19 N SER A 3 1.095 -24.952 -4.059 1.00 0.00 N ATOM 20 CA SER A 3 -0.290 -25.387 -4.112 1.00 0.00 C ATOM 21 C SER A 3 -1.161 -24.288 -4.723 1.00 0.00 C ATOM 22 O SER A 3 -1.826 -24.507 -5.734 1.00 0.00 O ATOM 23 CB SER A 3 -0.804 -25.760 -2.721 1.00 0.00 C ATOM 24 OG SER A 3 -0.621 -24.703 -1.783 1.00 0.00 O ATOM 0 H SER A 3 1.226 -23.979 -3.781 1.00 0.00 H new ATOM 0 HA SER A 3 -0.345 -26.276 -4.740 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.863 -26.012 -2.781 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.284 -26.651 -2.369 1.00 0.00 H new ATOM 0 HG SER A 3 -0.963 -24.980 -0.907 1.00 0.00 H new ATOM 30 N GLY A 4 -1.129 -23.128 -4.083 1.00 0.00 N ATOM 31 CA GLY A 4 -1.907 -21.994 -4.551 1.00 0.00 C ATOM 32 C GLY A 4 -2.536 -21.239 -3.378 1.00 0.00 C ATOM 33 O GLY A 4 -2.915 -21.845 -2.377 1.00 0.00 O ATOM 0 H GLY A 4 -0.576 -22.949 -3.244 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.267 -21.320 -5.121 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.689 -22.339 -5.227 1.00 0.00 H new ATOM 37 N SER A 5 -2.627 -19.927 -3.540 1.00 0.00 N ATOM 38 CA SER A 5 -3.203 -19.083 -2.507 1.00 0.00 C ATOM 39 C SER A 5 -4.100 -18.018 -3.141 1.00 0.00 C ATOM 40 O SER A 5 -3.632 -17.195 -3.926 1.00 0.00 O ATOM 41 CB SER A 5 -2.111 -18.424 -1.662 1.00 0.00 C ATOM 42 OG SER A 5 -1.242 -17.615 -2.451 1.00 0.00 O ATOM 0 H SER A 5 -2.311 -19.428 -4.372 1.00 0.00 H new ATOM 0 HA SER A 5 -3.805 -19.710 -1.849 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.572 -17.812 -0.887 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.529 -19.195 -1.156 1.00 0.00 H new ATOM 0 HG SER A 5 -1.727 -17.282 -3.235 1.00 0.00 H new ATOM 48 N SER A 6 -5.373 -18.069 -2.777 1.00 0.00 N ATOM 49 CA SER A 6 -6.339 -17.119 -3.300 1.00 0.00 C ATOM 50 C SER A 6 -5.869 -15.689 -3.027 1.00 0.00 C ATOM 51 O SER A 6 -4.913 -15.478 -2.282 1.00 0.00 O ATOM 52 CB SER A 6 -7.723 -17.348 -2.689 1.00 0.00 C ATOM 53 OG SER A 6 -7.705 -17.238 -1.269 1.00 0.00 O ATOM 0 H SER A 6 -5.757 -18.754 -2.126 1.00 0.00 H new ATOM 0 HA SER A 6 -6.417 -17.269 -4.377 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.425 -16.622 -3.100 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.085 -18.337 -2.971 1.00 0.00 H new ATOM 0 HG SER A 6 -8.607 -17.389 -0.918 1.00 0.00 H new ATOM 59 N GLY A 7 -6.561 -14.744 -3.645 1.00 0.00 N ATOM 60 CA GLY A 7 -6.225 -13.340 -3.478 1.00 0.00 C ATOM 61 C GLY A 7 -6.062 -12.650 -4.834 1.00 0.00 C ATOM 62 O GLY A 7 -6.426 -13.210 -5.867 1.00 0.00 O ATOM 0 H GLY A 7 -7.353 -14.923 -4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.006 -12.841 -2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.301 -13.249 -2.906 1.00 0.00 H new ATOM 66 N MET A 8 -5.515 -11.444 -4.786 1.00 0.00 N ATOM 67 CA MET A 8 -5.300 -10.672 -5.998 1.00 0.00 C ATOM 68 C MET A 8 -3.962 -9.930 -5.945 1.00 0.00 C ATOM 69 O MET A 8 -3.268 -9.967 -4.930 1.00 0.00 O ATOM 70 CB MET A 8 -6.437 -9.662 -6.170 1.00 0.00 C ATOM 71 CG MET A 8 -6.917 -9.141 -4.813 1.00 0.00 C ATOM 72 SD MET A 8 -7.530 -7.474 -4.982 1.00 0.00 S ATOM 73 CE MET A 8 -9.132 -7.653 -4.215 1.00 0.00 C ATOM 0 H MET A 8 -5.214 -10.983 -3.927 1.00 0.00 H new ATOM 0 HA MET A 8 -5.281 -11.358 -6.845 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.098 -8.828 -6.785 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.267 -10.130 -6.698 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.702 -9.788 -4.423 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.098 -9.165 -4.094 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.654 -6.696 -4.235 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.715 -8.396 -4.759 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.007 -7.976 -3.181 1.00 0.00 H new ATOM 83 N THR A 9 -3.641 -9.274 -7.051 1.00 0.00 N ATOM 84 CA THR A 9 -2.400 -8.526 -7.143 1.00 0.00 C ATOM 85 C THR A 9 -2.689 -7.036 -7.342 1.00 0.00 C ATOM 86 O THR A 9 -2.970 -6.598 -8.456 1.00 0.00 O ATOM 87 CB THR A 9 -1.561 -9.137 -8.267 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.875 -10.217 -7.640 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.441 -8.206 -8.735 1.00 0.00 C ATOM 0 H THR A 9 -4.220 -9.246 -7.891 1.00 0.00 H new ATOM 0 HA THR A 9 -1.828 -8.594 -6.218 1.00 0.00 H new ATOM 0 HB THR A 9 -2.207 -9.380 -9.111 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.308 -10.671 -8.298 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.123 -8.688 -9.533 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.872 -7.276 -9.106 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.225 -7.989 -7.900 1.00 0.00 H new ATOM 97 N VAL A 10 -2.609 -6.299 -6.244 1.00 0.00 N ATOM 98 CA VAL A 10 -2.858 -4.868 -6.283 1.00 0.00 C ATOM 99 C VAL A 10 -1.535 -4.130 -6.493 1.00 0.00 C ATOM 100 O VAL A 10 -0.526 -4.470 -5.878 1.00 0.00 O ATOM 101 CB VAL A 10 -3.593 -4.430 -5.015 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.895 -2.930 -5.047 1.00 0.00 C ATOM 103 CG2 VAL A 10 -4.874 -5.242 -4.814 1.00 0.00 C ATOM 0 H VAL A 10 -2.375 -6.666 -5.322 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.507 -4.616 -7.122 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.938 -4.623 -4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.418 -2.645 -4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.961 -2.372 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.521 -2.703 -5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.376 -4.910 -3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.535 -5.096 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.624 -6.299 -4.725 1.00 0.00 H new ATOM 113 N ARG A 11 -1.582 -3.133 -7.364 1.00 0.00 N ATOM 114 CA ARG A 11 -0.399 -2.343 -7.663 1.00 0.00 C ATOM 115 C ARG A 11 -0.478 -0.984 -6.965 1.00 0.00 C ATOM 116 O ARG A 11 -1.560 -0.539 -6.585 1.00 0.00 O ATOM 117 CB ARG A 11 -0.248 -2.127 -9.170 1.00 0.00 C ATOM 118 CG ARG A 11 0.277 -3.389 -9.856 1.00 0.00 C ATOM 119 CD ARG A 11 0.134 -3.288 -11.376 1.00 0.00 C ATOM 120 NE ARG A 11 0.858 -4.403 -12.027 1.00 0.00 N ATOM 121 CZ ARG A 11 0.383 -5.652 -12.124 1.00 0.00 C ATOM 122 NH1 ARG A 11 -0.817 -5.954 -11.611 1.00 0.00 N ATOM 123 NH2 ARG A 11 1.109 -6.599 -12.733 1.00 0.00 N ATOM 0 H ARG A 11 -2.421 -2.854 -7.873 1.00 0.00 H new ATOM 0 HA ARG A 11 0.468 -2.893 -7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.211 -1.850 -9.599 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.435 -1.298 -9.355 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.325 -3.540 -9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.270 -4.259 -9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.920 -3.317 -11.653 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.530 -2.334 -11.724 1.00 0.00 H new ATOM 0 HE ARG A 11 1.776 -4.208 -12.427 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.369 -5.233 -11.147 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.179 -6.905 -11.685 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.023 -6.369 -13.123 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.748 -7.550 -12.807 1.00 0.00 H new ATOM 137 N VAL A 12 0.683 -0.363 -6.816 1.00 0.00 N ATOM 138 CA VAL A 12 0.759 0.936 -6.170 1.00 0.00 C ATOM 139 C VAL A 12 1.476 1.921 -7.097 1.00 0.00 C ATOM 140 O VAL A 12 2.634 1.712 -7.454 1.00 0.00 O ATOM 141 CB VAL A 12 1.434 0.802 -4.804 1.00 0.00 C ATOM 142 CG1 VAL A 12 1.505 2.155 -4.092 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.718 -0.236 -3.938 1.00 0.00 C ATOM 0 H VAL A 12 1.579 -0.736 -7.132 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.240 1.330 -5.987 1.00 0.00 H new ATOM 0 HB VAL A 12 2.454 0.455 -4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.989 2.031 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.079 2.855 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.497 2.543 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.218 -0.312 -2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.318 0.068 -3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.743 -1.205 -4.436 1.00 0.00 H new ATOM 153 N CYS A 13 0.756 2.972 -7.460 1.00 0.00 N ATOM 154 CA CYS A 13 1.309 3.990 -8.338 1.00 0.00 C ATOM 155 C CYS A 13 1.653 5.218 -7.494 1.00 0.00 C ATOM 156 O CYS A 13 0.811 6.092 -7.291 1.00 0.00 O ATOM 157 CB CYS A 13 0.350 4.332 -9.480 1.00 0.00 C ATOM 158 SG CYS A 13 1.224 5.304 -10.761 1.00 0.00 S ATOM 0 H CYS A 13 -0.205 3.141 -7.163 1.00 0.00 H new ATOM 0 HA CYS A 13 2.215 3.612 -8.812 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.050 3.417 -9.916 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.498 4.900 -9.096 1.00 0.00 H new ATOM 0 HG CYS A 13 0.402 5.587 -11.727 1.00 0.00 H new ATOM 164 N LYS A 14 2.891 5.245 -7.024 1.00 0.00 N ATOM 165 CA LYS A 14 3.357 6.352 -6.206 1.00 0.00 C ATOM 166 C LYS A 14 3.242 7.653 -7.003 1.00 0.00 C ATOM 167 O LYS A 14 2.169 8.251 -7.071 1.00 0.00 O ATOM 168 CB LYS A 14 4.767 6.075 -5.682 1.00 0.00 C ATOM 169 CG LYS A 14 4.721 5.473 -4.276 1.00 0.00 C ATOM 170 CD LYS A 14 5.894 5.970 -3.428 1.00 0.00 C ATOM 171 CE LYS A 14 7.129 5.091 -3.631 1.00 0.00 C ATOM 172 NZ LYS A 14 8.321 5.723 -3.022 1.00 0.00 N ATOM 0 H LYS A 14 3.586 4.518 -7.194 1.00 0.00 H new ATOM 0 HA LYS A 14 2.729 6.462 -5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.282 5.392 -6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.341 7.001 -5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.780 5.739 -3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.750 4.385 -4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.129 7.000 -3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.612 5.969 -2.375 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.962 4.111 -3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.298 4.932 -4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.151 5.113 -3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.488 6.648 -3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.163 5.852 -2.002 1.00 0.00 H new ATOM 186 N MET A 15 4.362 8.055 -7.585 1.00 0.00 N ATOM 187 CA MET A 15 4.401 9.274 -8.374 1.00 0.00 C ATOM 188 C MET A 15 5.613 9.284 -9.308 1.00 0.00 C ATOM 189 O MET A 15 5.502 9.673 -10.470 1.00 0.00 O ATOM 190 CB MET A 15 4.465 10.484 -7.441 1.00 0.00 C ATOM 191 CG MET A 15 5.165 10.128 -6.128 1.00 0.00 C ATOM 192 SD MET A 15 5.827 11.603 -5.370 1.00 0.00 S ATOM 193 CE MET A 15 7.337 10.946 -4.681 1.00 0.00 C ATOM 0 H MET A 15 5.250 7.557 -7.526 1.00 0.00 H new ATOM 0 HA MET A 15 3.497 9.320 -8.982 1.00 0.00 H new ATOM 0 HB2 MET A 15 4.998 11.298 -7.932 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.456 10.842 -7.234 1.00 0.00 H new ATOM 0 HG2 MET A 15 4.461 9.645 -5.450 1.00 0.00 H new ATOM 0 HG3 MET A 15 5.967 9.414 -6.316 1.00 0.00 H new ATOM 0 HE1 MET A 15 7.879 11.740 -4.168 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.099 10.153 -3.973 1.00 0.00 H new ATOM 0 HE3 MET A 15 7.957 10.543 -5.482 1.00 0.00 H new ATOM 203 N ASP A 16 6.742 8.853 -8.765 1.00 0.00 N ATOM 204 CA ASP A 16 7.973 8.808 -9.536 1.00 0.00 C ATOM 205 C ASP A 16 7.820 7.798 -10.674 1.00 0.00 C ATOM 206 O ASP A 16 8.256 8.051 -11.796 1.00 0.00 O ATOM 207 CB ASP A 16 9.151 8.366 -8.666 1.00 0.00 C ATOM 208 CG ASP A 16 10.534 8.663 -9.249 1.00 0.00 C ATOM 209 OD1 ASP A 16 10.683 8.480 -10.477 1.00 0.00 O ATOM 210 OD2 ASP A 16 11.410 9.068 -8.455 1.00 0.00 O ATOM 0 H ASP A 16 6.830 8.532 -7.801 1.00 0.00 H new ATOM 0 HA ASP A 16 8.166 9.809 -9.923 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.070 8.855 -7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.070 7.293 -8.490 1.00 0.00 H new ATOM 215 N GLY A 17 7.201 6.673 -10.346 1.00 0.00 N ATOM 216 CA GLY A 17 6.986 5.623 -11.327 1.00 0.00 C ATOM 217 C GLY A 17 7.338 4.252 -10.748 1.00 0.00 C ATOM 218 O GLY A 17 7.989 3.444 -11.408 1.00 0.00 O ATOM 0 H GLY A 17 6.841 6.466 -9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.945 5.629 -11.649 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.594 5.816 -12.211 1.00 0.00 H new ATOM 222 N GLU A 18 6.891 4.031 -9.520 1.00 0.00 N ATOM 223 CA GLU A 18 7.150 2.770 -8.845 1.00 0.00 C ATOM 224 C GLU A 18 5.860 1.957 -8.725 1.00 0.00 C ATOM 225 O GLU A 18 4.802 2.506 -8.421 1.00 0.00 O ATOM 226 CB GLU A 18 7.781 3.004 -7.471 1.00 0.00 C ATOM 227 CG GLU A 18 8.127 1.677 -6.793 1.00 0.00 C ATOM 228 CD GLU A 18 8.144 1.827 -5.271 1.00 0.00 C ATOM 229 OE1 GLU A 18 9.061 2.520 -4.779 1.00 0.00 O ATOM 230 OE2 GLU A 18 7.240 1.245 -4.633 1.00 0.00 O ATOM 0 H GLU A 18 6.351 4.704 -8.975 1.00 0.00 H new ATOM 0 HA GLU A 18 7.861 2.199 -9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.682 3.607 -7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.093 3.569 -6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.399 0.918 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.101 1.331 -7.139 1.00 0.00 H new ATOM 237 N VAL A 19 5.990 0.661 -8.970 1.00 0.00 N ATOM 238 CA VAL A 19 4.848 -0.233 -8.893 1.00 0.00 C ATOM 239 C VAL A 19 5.209 -1.441 -8.027 1.00 0.00 C ATOM 240 O VAL A 19 6.163 -2.159 -8.322 1.00 0.00 O ATOM 241 CB VAL A 19 4.392 -0.622 -10.301 1.00 0.00 C ATOM 242 CG1 VAL A 19 3.158 -1.524 -10.248 1.00 0.00 C ATOM 243 CG2 VAL A 19 4.128 0.620 -11.155 1.00 0.00 C ATOM 0 H VAL A 19 6.869 0.209 -9.222 1.00 0.00 H new ATOM 0 HA VAL A 19 4.003 0.267 -8.418 1.00 0.00 H new ATOM 0 HB VAL A 19 5.198 -1.185 -10.770 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.855 -1.786 -11.262 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.395 -2.432 -9.694 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.344 -0.998 -9.750 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.805 0.315 -12.151 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.348 1.223 -10.689 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.042 1.208 -11.234 1.00 0.00 H new ATOM 253 N MET A 20 4.427 -1.628 -6.974 1.00 0.00 N ATOM 254 CA MET A 20 4.652 -2.737 -6.062 1.00 0.00 C ATOM 255 C MET A 20 3.452 -3.687 -6.046 1.00 0.00 C ATOM 256 O MET A 20 2.331 -3.271 -5.759 1.00 0.00 O ATOM 257 CB MET A 20 4.894 -2.197 -4.651 1.00 0.00 C ATOM 258 CG MET A 20 6.327 -1.683 -4.499 1.00 0.00 C ATOM 259 SD MET A 20 6.662 -1.306 -2.787 1.00 0.00 S ATOM 260 CE MET A 20 5.056 -0.712 -2.281 1.00 0.00 C ATOM 0 H MET A 20 3.637 -1.030 -6.732 1.00 0.00 H new ATOM 0 HA MET A 20 5.526 -3.292 -6.404 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.191 -1.391 -4.440 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.706 -2.983 -3.920 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.031 -2.433 -4.859 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.469 -0.792 -5.111 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.142 -0.204 -1.320 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.674 -0.015 -3.027 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.370 -1.554 -2.186 1.00 0.00 H new ATOM 270 N PRO A 21 3.737 -4.977 -6.367 1.00 0.00 N ATOM 271 CA PRO A 21 2.694 -5.989 -6.393 1.00 0.00 C ATOM 272 C PRO A 21 2.289 -6.395 -4.974 1.00 0.00 C ATOM 273 O PRO A 21 3.035 -7.090 -4.287 1.00 0.00 O ATOM 274 CB PRO A 21 3.282 -7.139 -7.194 1.00 0.00 C ATOM 275 CG PRO A 21 4.787 -6.923 -7.191 1.00 0.00 C ATOM 276 CD PRO A 21 5.053 -5.505 -6.713 1.00 0.00 C ATOM 0 HA PRO A 21 1.772 -5.632 -6.852 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.024 -8.099 -6.746 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.891 -7.147 -8.211 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.275 -7.645 -6.536 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.196 -7.072 -8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.722 -5.496 -5.852 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.527 -4.907 -7.491 1.00 0.00 H new ATOM 284 N VAL A 22 1.108 -5.943 -4.579 1.00 0.00 N ATOM 285 CA VAL A 22 0.595 -6.250 -3.255 1.00 0.00 C ATOM 286 C VAL A 22 -0.486 -7.327 -3.369 1.00 0.00 C ATOM 287 O VAL A 22 -1.201 -7.391 -4.367 1.00 0.00 O ATOM 288 CB VAL A 22 0.096 -4.972 -2.577 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.395 -5.260 -1.157 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.181 -3.894 -2.574 1.00 0.00 C ATOM 0 H VAL A 22 0.492 -5.367 -5.152 1.00 0.00 H new ATOM 0 HA VAL A 22 1.387 -6.650 -2.622 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.749 -4.595 -3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.744 -4.335 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.214 -5.978 -1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.423 -5.672 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.801 -2.996 -2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.054 -4.258 -2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.462 -3.658 -3.600 1.00 0.00 H new ATOM 300 N VAL A 23 -0.571 -8.148 -2.332 1.00 0.00 N ATOM 301 CA VAL A 23 -1.552 -9.219 -2.303 1.00 0.00 C ATOM 302 C VAL A 23 -2.515 -8.991 -1.136 1.00 0.00 C ATOM 303 O VAL A 23 -2.120 -8.473 -0.093 1.00 0.00 O ATOM 304 CB VAL A 23 -0.845 -10.575 -2.239 1.00 0.00 C ATOM 305 CG1 VAL A 23 -1.841 -11.699 -1.945 1.00 0.00 C ATOM 306 CG2 VAL A 23 -0.071 -10.851 -3.530 1.00 0.00 C ATOM 0 H VAL A 23 0.024 -8.093 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.144 -9.219 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.127 -10.541 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.313 -12.652 -1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.327 -11.513 -0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.593 -11.734 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.422 -11.820 -3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.761 -10.856 -4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.678 -10.073 -3.679 1.00 0.00 H new ATOM 316 N VAL A 24 -3.760 -9.390 -1.352 1.00 0.00 N ATOM 317 CA VAL A 24 -4.782 -9.236 -0.331 1.00 0.00 C ATOM 318 C VAL A 24 -5.920 -10.223 -0.601 1.00 0.00 C ATOM 319 O VAL A 24 -6.030 -10.762 -1.701 1.00 0.00 O ATOM 320 CB VAL A 24 -5.254 -7.781 -0.277 1.00 0.00 C ATOM 321 CG1 VAL A 24 -4.141 -6.863 0.234 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.762 -7.319 -1.644 1.00 0.00 C ATOM 0 H VAL A 24 -4.084 -9.819 -2.219 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.376 -9.469 0.653 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.085 -7.723 0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.502 -5.835 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.846 -7.172 1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.281 -6.927 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.091 -6.282 -1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.959 -7.399 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.598 -7.946 -1.952 1.00 0.00 H new ATOM 332 N VAL A 25 -6.737 -10.430 0.421 1.00 0.00 N ATOM 333 CA VAL A 25 -7.861 -11.343 0.308 1.00 0.00 C ATOM 334 C VAL A 25 -8.844 -10.808 -0.736 1.00 0.00 C ATOM 335 O VAL A 25 -9.035 -9.598 -0.851 1.00 0.00 O ATOM 336 CB VAL A 25 -8.504 -11.555 1.680 1.00 0.00 C ATOM 337 CG1 VAL A 25 -7.503 -12.159 2.667 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.085 -10.247 2.221 1.00 0.00 C ATOM 0 H VAL A 25 -6.643 -9.981 1.332 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.524 -12.322 -0.033 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.325 -12.262 1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.985 -12.299 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.157 -13.122 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.653 -11.487 2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.536 -10.425 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.289 -9.508 2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.844 -9.874 1.533 1.00 0.00 H new ATOM 348 N GLN A 26 -9.440 -11.735 -1.471 1.00 0.00 N ATOM 349 CA GLN A 26 -10.398 -11.371 -2.501 1.00 0.00 C ATOM 350 C GLN A 26 -11.400 -10.350 -1.958 1.00 0.00 C ATOM 351 O GLN A 26 -11.992 -9.590 -2.722 1.00 0.00 O ATOM 352 CB GLN A 26 -11.116 -12.609 -3.043 1.00 0.00 C ATOM 353 CG GLN A 26 -10.519 -13.047 -4.382 1.00 0.00 C ATOM 354 CD GLN A 26 -11.380 -12.564 -5.551 1.00 0.00 C ATOM 355 OE1 GLN A 26 -12.484 -13.033 -5.777 1.00 0.00 O ATOM 356 NE2 GLN A 26 -10.816 -11.605 -6.279 1.00 0.00 N ATOM 0 H GLN A 26 -9.278 -12.737 -1.374 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.856 -10.914 -3.329 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.039 -13.423 -2.323 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -12.177 -12.393 -3.167 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.509 -12.649 -4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.438 -14.134 -4.410 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.889 -11.258 -6.034 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.311 -11.217 -7.082 1.00 0.00 H new ATOM 365 N ASN A 27 -11.558 -10.365 -0.643 1.00 0.00 N ATOM 366 CA ASN A 27 -12.478 -9.450 0.011 1.00 0.00 C ATOM 367 C ASN A 27 -11.713 -8.612 1.037 1.00 0.00 C ATOM 368 O ASN A 27 -12.089 -8.561 2.207 1.00 0.00 O ATOM 369 CB ASN A 27 -13.580 -10.211 0.750 1.00 0.00 C ATOM 370 CG ASN A 27 -14.738 -10.549 -0.191 1.00 0.00 C ATOM 371 OD1 ASN A 27 -14.559 -11.102 -1.264 1.00 0.00 O ATOM 372 ND2 ASN A 27 -15.933 -10.188 0.269 1.00 0.00 N ATOM 0 H ASN A 27 -11.064 -10.997 -0.012 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.928 -8.819 -0.756 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.172 -11.128 1.174 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.946 -9.610 1.582 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -16.769 -10.371 -0.285 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -16.013 -9.728 1.176 1.00 0.00 H new ATOM 379 N ALA A 28 -10.653 -7.975 0.562 1.00 0.00 N ATOM 380 CA ALA A 28 -9.832 -7.141 1.423 1.00 0.00 C ATOM 381 C ALA A 28 -10.477 -5.760 1.555 1.00 0.00 C ATOM 382 O ALA A 28 -11.488 -5.479 0.912 1.00 0.00 O ATOM 383 CB ALA A 28 -8.411 -7.069 0.861 1.00 0.00 C ATOM 0 H ALA A 28 -10.344 -8.020 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.766 -7.571 2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.795 -6.443 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.986 -8.072 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.437 -6.640 -0.141 1.00 0.00 H new ATOM 389 N THR A 29 -9.867 -4.935 2.393 1.00 0.00 N ATOM 390 CA THR A 29 -10.369 -3.590 2.617 1.00 0.00 C ATOM 391 C THR A 29 -9.242 -2.567 2.465 1.00 0.00 C ATOM 392 O THR A 29 -8.097 -2.934 2.206 1.00 0.00 O ATOM 393 CB THR A 29 -11.037 -3.558 3.993 1.00 0.00 C ATOM 394 OG1 THR A 29 -9.973 -3.829 4.902 1.00 0.00 O ATOM 395 CG2 THR A 29 -12.009 -4.722 4.200 1.00 0.00 C ATOM 0 H THR A 29 -9.030 -5.172 2.925 1.00 0.00 H new ATOM 0 HA THR A 29 -11.115 -3.317 1.871 1.00 0.00 H new ATOM 0 HB THR A 29 -11.569 -2.615 4.116 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.648 -4.743 4.762 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.455 -4.651 5.192 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.794 -4.679 3.445 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.471 -5.666 4.110 1.00 0.00 H new ATOM 403 N VAL A 30 -9.605 -1.304 2.634 1.00 0.00 N ATOM 404 CA VAL A 30 -8.638 -0.226 2.519 1.00 0.00 C ATOM 405 C VAL A 30 -7.506 -0.453 3.522 1.00 0.00 C ATOM 406 O VAL A 30 -6.338 -0.230 3.206 1.00 0.00 O ATOM 407 CB VAL A 30 -9.336 1.124 2.700 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.342 2.278 2.557 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.499 1.276 1.718 1.00 0.00 C ATOM 0 H VAL A 30 -10.555 -1.003 2.850 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.193 -0.216 1.524 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.745 1.158 3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.863 3.226 2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.563 2.183 3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.890 2.248 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.978 2.244 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.124 1.211 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.226 0.482 1.889 1.00 0.00 H new ATOM 419 N LEU A 31 -7.891 -0.893 4.711 1.00 0.00 N ATOM 420 CA LEU A 31 -6.922 -1.153 5.762 1.00 0.00 C ATOM 421 C LEU A 31 -5.935 -2.221 5.288 1.00 0.00 C ATOM 422 O LEU A 31 -4.725 -2.000 5.294 1.00 0.00 O ATOM 423 CB LEU A 31 -7.633 -1.509 7.070 1.00 0.00 C ATOM 424 CG LEU A 31 -6.811 -1.335 8.349 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.989 -0.045 8.302 1.00 0.00 C ATOM 426 CD2 LEU A 31 -7.706 -1.400 9.588 1.00 0.00 C ATOM 0 H LEU A 31 -8.861 -1.076 4.970 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.342 -0.255 5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.530 -0.895 7.152 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.961 -2.547 7.011 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.106 -2.163 8.417 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.414 0.054 9.223 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.308 -0.078 7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.658 0.809 8.198 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.097 -1.274 10.483 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.451 -0.606 9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.208 -2.367 9.624 1.00 0.00 H new ATOM 438 N ASP A 32 -6.488 -3.357 4.888 1.00 0.00 N ATOM 439 CA ASP A 32 -5.672 -4.460 4.412 1.00 0.00 C ATOM 440 C ASP A 32 -4.661 -3.937 3.390 1.00 0.00 C ATOM 441 O ASP A 32 -3.453 -4.082 3.575 1.00 0.00 O ATOM 442 CB ASP A 32 -6.530 -5.524 3.725 1.00 0.00 C ATOM 443 CG ASP A 32 -7.509 -6.258 4.644 1.00 0.00 C ATOM 444 OD1 ASP A 32 -7.086 -6.595 5.770 1.00 0.00 O ATOM 445 OD2 ASP A 32 -8.659 -6.464 4.199 1.00 0.00 O ATOM 0 H ASP A 32 -7.492 -3.537 4.884 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.169 -4.902 5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.095 -5.051 2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.870 -6.258 3.262 1.00 0.00 H new ATOM 450 N LEU A 33 -5.191 -3.338 2.334 1.00 0.00 N ATOM 451 CA LEU A 33 -4.350 -2.792 1.282 1.00 0.00 C ATOM 452 C LEU A 33 -3.122 -2.129 1.910 1.00 0.00 C ATOM 453 O LEU A 33 -1.989 -2.442 1.547 1.00 0.00 O ATOM 454 CB LEU A 33 -5.159 -1.859 0.379 1.00 0.00 C ATOM 455 CG LEU A 33 -4.724 -1.801 -1.087 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.395 -1.059 -1.236 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.670 -3.202 -1.698 1.00 0.00 C ATOM 0 H LEU A 33 -6.193 -3.219 2.184 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.986 -3.588 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.204 -2.167 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.109 -0.852 0.792 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.472 -1.236 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.109 -1.032 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.503 -0.040 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.624 -1.575 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.358 -3.133 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.956 -3.813 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.657 -3.661 -1.644 1.00 0.00 H new ATOM 469 N LYS A 34 -3.389 -1.225 2.841 1.00 0.00 N ATOM 470 CA LYS A 34 -2.320 -0.514 3.523 1.00 0.00 C ATOM 471 C LYS A 34 -1.380 -1.527 4.181 1.00 0.00 C ATOM 472 O LYS A 34 -0.218 -1.641 3.796 1.00 0.00 O ATOM 473 CB LYS A 34 -2.897 0.514 4.498 1.00 0.00 C ATOM 474 CG LYS A 34 -3.296 1.798 3.768 1.00 0.00 C ATOM 475 CD LYS A 34 -4.777 2.114 3.984 1.00 0.00 C ATOM 476 CE LYS A 34 -4.980 3.593 4.316 1.00 0.00 C ATOM 477 NZ LYS A 34 -5.076 4.394 3.075 1.00 0.00 N ATOM 0 H LYS A 34 -4.330 -0.968 3.139 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.726 0.057 2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.767 0.093 5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.161 0.743 5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.687 2.628 4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.095 1.692 2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.341 1.858 3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.169 1.499 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.887 3.718 4.908 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.150 3.952 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.584 5.280 3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.120 4.613 2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.591 3.853 2.352 1.00 0.00 H new ATOM 491 N LYS A 35 -1.919 -2.234 5.163 1.00 0.00 N ATOM 492 CA LYS A 35 -1.143 -3.233 5.879 1.00 0.00 C ATOM 493 C LYS A 35 -0.303 -4.032 4.880 1.00 0.00 C ATOM 494 O LYS A 35 0.868 -4.313 5.133 1.00 0.00 O ATOM 495 CB LYS A 35 -2.056 -4.101 6.747 1.00 0.00 C ATOM 496 CG LYS A 35 -2.420 -3.383 8.048 1.00 0.00 C ATOM 497 CD LYS A 35 -3.922 -3.102 8.118 1.00 0.00 C ATOM 498 CE LYS A 35 -4.596 -3.980 9.175 1.00 0.00 C ATOM 499 NZ LYS A 35 -5.562 -4.905 8.542 1.00 0.00 N ATOM 0 H LYS A 35 -2.883 -2.135 5.480 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.449 -2.753 6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.964 -4.345 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.559 -5.044 6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.121 -3.993 8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.868 -2.446 8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.088 -2.051 8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.376 -3.286 7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.842 -4.549 9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.109 -3.353 9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.010 -5.493 9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.292 -4.357 8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.064 -5.516 7.864 1.00 0.00 H new ATOM 513 N ALA A 36 -0.933 -4.374 3.766 1.00 0.00 N ATOM 514 CA ALA A 36 -0.258 -5.134 2.728 1.00 0.00 C ATOM 515 C ALA A 36 0.959 -4.349 2.236 1.00 0.00 C ATOM 516 O ALA A 36 2.098 -4.733 2.498 1.00 0.00 O ATOM 517 CB ALA A 36 -1.244 -5.447 1.601 1.00 0.00 C ATOM 0 H ALA A 36 -1.904 -4.139 3.560 1.00 0.00 H new ATOM 0 HA ALA A 36 0.100 -6.085 3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.737 -6.017 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.075 -6.031 1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.623 -4.516 1.180 1.00 0.00 H new ATOM 523 N ILE A 37 0.678 -3.263 1.531 1.00 0.00 N ATOM 524 CA ILE A 37 1.735 -2.420 1.000 1.00 0.00 C ATOM 525 C ILE A 37 2.791 -2.191 2.083 1.00 0.00 C ATOM 526 O ILE A 37 3.959 -1.953 1.777 1.00 0.00 O ATOM 527 CB ILE A 37 1.153 -1.127 0.426 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.203 -1.423 -0.737 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.265 -0.156 0.024 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.662 -0.203 -1.062 1.00 0.00 C ATOM 0 H ILE A 37 -0.268 -2.947 1.315 1.00 0.00 H new ATOM 0 HA ILE A 37 2.234 -2.915 0.167 1.00 0.00 H new ATOM 0 HB ILE A 37 0.567 -0.640 1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.778 -1.710 -1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.436 -2.269 -0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.824 0.755 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.867 0.090 0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.897 -0.620 -0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.328 -0.440 -1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.254 0.067 -0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.021 0.634 -1.339 1.00 0.00 H new ATOM 542 N GLN A 38 2.344 -2.271 3.327 1.00 0.00 N ATOM 543 CA GLN A 38 3.235 -2.075 4.458 1.00 0.00 C ATOM 544 C GLN A 38 4.082 -3.328 4.689 1.00 0.00 C ATOM 545 O GLN A 38 5.307 -3.248 4.769 1.00 0.00 O ATOM 546 CB GLN A 38 2.450 -1.704 5.718 1.00 0.00 C ATOM 547 CG GLN A 38 2.250 -0.190 5.813 1.00 0.00 C ATOM 548 CD GLN A 38 0.942 0.146 6.532 1.00 0.00 C ATOM 549 OE1 GLN A 38 -0.130 0.159 5.951 1.00 0.00 O ATOM 550 NE2 GLN A 38 1.090 0.415 7.826 1.00 0.00 N ATOM 0 H GLN A 38 1.375 -2.469 3.577 1.00 0.00 H new ATOM 0 HA GLN A 38 3.903 -1.245 4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.481 -2.203 5.707 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.982 -2.060 6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.088 0.258 6.347 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.241 0.243 4.813 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.017 0.386 8.250 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.276 0.650 8.394 1.00 0.00 H new ATOM 559 N ARG A 39 3.396 -4.457 4.790 1.00 0.00 N ATOM 560 CA ARG A 39 4.070 -5.726 5.010 1.00 0.00 C ATOM 561 C ARG A 39 4.974 -6.060 3.822 1.00 0.00 C ATOM 562 O ARG A 39 5.776 -6.990 3.890 1.00 0.00 O ATOM 563 CB ARG A 39 3.061 -6.859 5.208 1.00 0.00 C ATOM 564 CG ARG A 39 2.240 -6.645 6.482 1.00 0.00 C ATOM 565 CD ARG A 39 2.533 -7.737 7.513 1.00 0.00 C ATOM 566 NE ARG A 39 1.267 -8.344 7.980 1.00 0.00 N ATOM 567 CZ ARG A 39 0.440 -9.052 7.198 1.00 0.00 C ATOM 568 NH1 ARG A 39 0.741 -9.245 5.907 1.00 0.00 N ATOM 569 NH2 ARG A 39 -0.687 -9.567 7.708 1.00 0.00 N ATOM 0 H ARG A 39 2.380 -4.520 4.724 1.00 0.00 H new ATOM 0 HA ARG A 39 4.672 -5.629 5.913 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.395 -6.913 4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.586 -7.813 5.265 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.469 -5.668 6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.178 -6.645 6.239 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.172 -8.502 7.073 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.077 -7.315 8.358 1.00 0.00 H new ATOM 0 HE ARG A 39 1.007 -8.216 8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.599 -8.853 5.519 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.112 -9.784 5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.916 -9.420 8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.316 -10.106 7.113 1.00 0.00 H new ATOM 583 N TYR A 40 4.814 -5.283 2.761 1.00 0.00 N ATOM 584 CA TYR A 40 5.606 -5.484 1.559 1.00 0.00 C ATOM 585 C TYR A 40 7.000 -4.872 1.712 1.00 0.00 C ATOM 586 O TYR A 40 7.995 -5.475 1.312 1.00 0.00 O ATOM 587 CB TYR A 40 4.863 -4.758 0.437 1.00 0.00 C ATOM 588 CG TYR A 40 5.564 -4.828 -0.921 1.00 0.00 C ATOM 589 CD1 TYR A 40 6.750 -4.151 -1.121 1.00 0.00 C ATOM 590 CD2 TYR A 40 5.010 -5.568 -1.946 1.00 0.00 C ATOM 591 CE1 TYR A 40 7.409 -4.217 -2.400 1.00 0.00 C ATOM 592 CE2 TYR A 40 5.670 -5.634 -3.224 1.00 0.00 C ATOM 593 CZ TYR A 40 6.837 -4.955 -3.388 1.00 0.00 C ATOM 594 OH TYR A 40 7.460 -5.017 -4.595 1.00 0.00 O ATOM 0 H TYR A 40 4.147 -4.513 2.708 1.00 0.00 H new ATOM 0 HA TYR A 40 5.732 -6.548 1.356 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.864 -5.184 0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.737 -3.712 0.716 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.184 -3.572 -0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.082 -6.097 -1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.337 -3.692 -2.570 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.248 -6.210 -4.034 1.00 0.00 H new ATOM 0 HH TYR A 40 7.497 -5.949 -4.896 1.00 0.00 H new ATOM 604 N VAL A 41 7.027 -3.680 2.291 1.00 0.00 N ATOM 605 CA VAL A 41 8.283 -2.979 2.502 1.00 0.00 C ATOM 606 C VAL A 41 8.798 -3.277 3.911 1.00 0.00 C ATOM 607 O VAL A 41 9.967 -3.617 4.089 1.00 0.00 O ATOM 608 CB VAL A 41 8.097 -1.484 2.237 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.411 -0.725 2.437 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.531 -1.241 0.836 1.00 0.00 C ATOM 0 H VAL A 41 6.200 -3.182 2.620 1.00 0.00 H new ATOM 0 HA VAL A 41 9.039 -3.329 1.799 1.00 0.00 H new ATOM 0 HB VAL A 41 7.376 -1.103 2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.252 0.336 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.756 -0.858 3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.163 -1.111 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.409 -0.170 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.217 -1.645 0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.564 -1.735 0.744 1.00 0.00 H new ATOM 620 N GLN A 42 7.901 -3.139 4.876 1.00 0.00 N ATOM 621 CA GLN A 42 8.251 -3.389 6.264 1.00 0.00 C ATOM 622 C GLN A 42 9.043 -4.693 6.385 1.00 0.00 C ATOM 623 O GLN A 42 10.241 -4.673 6.661 1.00 0.00 O ATOM 624 CB GLN A 42 7.002 -3.422 7.147 1.00 0.00 C ATOM 625 CG GLN A 42 7.316 -2.924 8.559 1.00 0.00 C ATOM 626 CD GLN A 42 7.987 -1.549 8.520 1.00 0.00 C ATOM 627 OE1 GLN A 42 7.139 -0.539 8.347 1.00 0.00 O flip ATOM 628 NE2 GLN A 42 9.193 -1.415 8.638 1.00 0.00 N flip ATOM 0 H GLN A 42 6.932 -2.857 4.724 1.00 0.00 H new ATOM 0 HA GLN A 42 8.881 -2.571 6.613 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.222 -2.802 6.704 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.612 -4.439 7.194 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.396 -2.867 9.141 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.969 -3.637 9.063 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.787 -2.234 8.768 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.608 -0.484 8.606 1.00 0.00 H new ATOM 637 N LEU A 43 8.340 -5.796 6.173 1.00 0.00 N ATOM 638 CA LEU A 43 8.962 -7.107 6.255 1.00 0.00 C ATOM 639 C LEU A 43 10.185 -7.145 5.336 1.00 0.00 C ATOM 640 O LEU A 43 11.286 -7.474 5.776 1.00 0.00 O ATOM 641 CB LEU A 43 7.938 -8.205 5.961 1.00 0.00 C ATOM 642 CG LEU A 43 7.435 -8.994 7.172 1.00 0.00 C ATOM 643 CD1 LEU A 43 6.277 -9.916 6.783 1.00 0.00 C ATOM 644 CD2 LEU A 43 8.578 -9.761 7.840 1.00 0.00 C ATOM 0 H LEU A 43 7.346 -5.809 5.945 1.00 0.00 H new ATOM 0 HA LEU A 43 9.317 -7.297 7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.080 -7.751 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.380 -8.906 5.253 1.00 0.00 H new ATOM 0 HG LEU A 43 7.051 -8.285 7.906 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.938 -10.465 7.662 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.454 -9.320 6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.613 -10.620 6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.193 -10.313 8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.014 -10.459 7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.342 -9.058 8.174 1.00 0.00 H new ATOM 656 N LYS A 44 9.951 -6.803 4.078 1.00 0.00 N ATOM 657 CA LYS A 44 11.019 -6.794 3.094 1.00 0.00 C ATOM 658 C LYS A 44 12.264 -6.147 3.704 1.00 0.00 C ATOM 659 O LYS A 44 13.303 -6.792 3.835 1.00 0.00 O ATOM 660 CB LYS A 44 10.551 -6.126 1.800 1.00 0.00 C ATOM 661 CG LYS A 44 11.720 -5.917 0.835 1.00 0.00 C ATOM 662 CD LYS A 44 11.222 -5.746 -0.601 1.00 0.00 C ATOM 663 CE LYS A 44 10.773 -7.085 -1.189 1.00 0.00 C ATOM 664 NZ LYS A 44 9.565 -6.905 -2.025 1.00 0.00 N ATOM 0 H LYS A 44 9.037 -6.530 3.718 1.00 0.00 H new ATOM 0 HA LYS A 44 11.291 -7.813 2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.788 -6.742 1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.088 -5.166 2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.289 -5.037 1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.398 -6.769 0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.392 -5.040 -0.620 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.015 -5.322 -1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.576 -7.514 -1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.564 -7.790 -0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.862 -7.631 -1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.162 -5.961 -1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.821 -6.996 -3.029 1.00 0.00 H new ATOM 678 N GLN A 45 12.117 -4.880 4.063 1.00 0.00 N ATOM 679 CA GLN A 45 13.216 -4.138 4.657 1.00 0.00 C ATOM 680 C GLN A 45 13.777 -4.895 5.862 1.00 0.00 C ATOM 681 O GLN A 45 14.991 -4.947 6.057 1.00 0.00 O ATOM 682 CB GLN A 45 12.775 -2.727 5.052 1.00 0.00 C ATOM 683 CG GLN A 45 12.634 -1.831 3.820 1.00 0.00 C ATOM 684 CD GLN A 45 12.100 -0.450 4.204 1.00 0.00 C ATOM 685 OE1 GLN A 45 11.351 -0.288 5.154 1.00 0.00 O ATOM 686 NE2 GLN A 45 12.525 0.533 3.416 1.00 0.00 N ATOM 0 H GLN A 45 11.253 -4.348 3.954 1.00 0.00 H new ATOM 0 HA GLN A 45 14.007 -4.041 3.913 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.824 -2.775 5.582 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.502 -2.294 5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.602 -1.727 3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.961 -2.298 3.101 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.151 0.328 2.638 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.225 1.492 3.590 1.00 0.00 H new ATOM 695 N GLU A 46 12.867 -5.462 6.641 1.00 0.00 N ATOM 696 CA GLU A 46 13.256 -6.214 7.822 1.00 0.00 C ATOM 697 C GLU A 46 14.300 -7.271 7.458 1.00 0.00 C ATOM 698 O GLU A 46 15.305 -7.421 8.151 1.00 0.00 O ATOM 699 CB GLU A 46 12.038 -6.853 8.490 1.00 0.00 C ATOM 700 CG GLU A 46 11.881 -6.360 9.930 1.00 0.00 C ATOM 701 CD GLU A 46 12.436 -7.383 10.924 1.00 0.00 C ATOM 702 OE1 GLU A 46 13.613 -7.763 10.748 1.00 0.00 O ATOM 703 OE2 GLU A 46 11.670 -7.760 11.837 1.00 0.00 O ATOM 0 H GLU A 46 11.861 -5.416 6.477 1.00 0.00 H new ATOM 0 HA GLU A 46 13.702 -5.524 8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.140 -6.615 7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.142 -7.938 8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.402 -5.410 10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.828 -6.176 10.142 1.00 0.00 H new ATOM 710 N ARG A 47 14.026 -7.978 6.371 1.00 0.00 N ATOM 711 CA ARG A 47 14.929 -9.017 5.906 1.00 0.00 C ATOM 712 C ARG A 47 16.186 -8.394 5.294 1.00 0.00 C ATOM 713 O ARG A 47 17.198 -9.072 5.122 1.00 0.00 O ATOM 714 CB ARG A 47 14.252 -9.910 4.865 1.00 0.00 C ATOM 715 CG ARG A 47 12.876 -10.371 5.349 1.00 0.00 C ATOM 716 CD ARG A 47 12.957 -11.756 5.995 1.00 0.00 C ATOM 717 NE ARG A 47 12.232 -12.744 5.166 1.00 0.00 N ATOM 718 CZ ARG A 47 12.322 -14.071 5.329 1.00 0.00 C ATOM 719 NH1 ARG A 47 13.107 -14.577 6.291 1.00 0.00 N ATOM 720 NH2 ARG A 47 11.628 -14.893 4.530 1.00 0.00 N ATOM 0 H ARG A 47 13.191 -7.851 5.799 1.00 0.00 H new ATOM 0 HA ARG A 47 15.204 -9.626 6.767 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.148 -9.366 3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.879 -10.778 4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.480 -9.653 6.068 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.181 -10.398 4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.999 -12.055 6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.528 -11.725 6.997 1.00 0.00 H new ATOM 0 HE ARG A 47 11.626 -12.393 4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.636 -13.952 6.899 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.175 -15.587 6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.031 -14.509 3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.697 -15.903 4.654 1.00 0.00 H new ATOM 734 N GLU A 48 16.080 -7.111 4.983 1.00 0.00 N ATOM 735 CA GLU A 48 17.195 -6.389 4.394 1.00 0.00 C ATOM 736 C GLU A 48 17.825 -5.452 5.426 1.00 0.00 C ATOM 737 O GLU A 48 18.596 -4.561 5.072 1.00 0.00 O ATOM 738 CB GLU A 48 16.752 -5.616 3.150 1.00 0.00 C ATOM 739 CG GLU A 48 16.695 -6.533 1.926 1.00 0.00 C ATOM 740 CD GLU A 48 16.531 -5.721 0.640 1.00 0.00 C ATOM 741 OE1 GLU A 48 17.571 -5.261 0.122 1.00 0.00 O ATOM 742 OE2 GLU A 48 15.368 -5.578 0.204 1.00 0.00 O ATOM 0 H GLU A 48 15.239 -6.552 5.128 1.00 0.00 H new ATOM 0 HA GLU A 48 17.948 -7.113 4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.771 -5.173 3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.444 -4.795 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.606 -7.129 1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.864 -7.231 2.028 1.00 0.00 H new ATOM 749 N GLY A 49 17.473 -5.685 6.682 1.00 0.00 N ATOM 750 CA GLY A 49 17.995 -4.872 7.768 1.00 0.00 C ATOM 751 C GLY A 49 17.311 -3.504 7.807 1.00 0.00 C ATOM 752 O GLY A 49 17.934 -2.486 7.513 1.00 0.00 O ATOM 0 H GLY A 49 16.833 -6.425 6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.843 -5.386 8.717 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.070 -4.742 7.645 1.00 0.00 H new ATOM 756 N GLY A 50 16.037 -3.525 8.173 1.00 0.00 N ATOM 757 CA GLY A 50 15.262 -2.300 8.255 1.00 0.00 C ATOM 758 C GLY A 50 14.287 -2.345 9.434 1.00 0.00 C ATOM 759 O GLY A 50 14.011 -3.414 9.975 1.00 0.00 O ATOM 0 H GLY A 50 15.523 -4.372 8.416 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.933 -1.448 8.366 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.709 -2.152 7.327 1.00 0.00 H new ATOM 763 N VAL A 51 13.793 -1.170 9.797 1.00 0.00 N ATOM 764 CA VAL A 51 12.855 -1.062 10.901 1.00 0.00 C ATOM 765 C VAL A 51 11.786 -0.023 10.557 1.00 0.00 C ATOM 766 O VAL A 51 11.854 0.620 9.511 1.00 0.00 O ATOM 767 CB VAL A 51 13.606 -0.741 12.195 1.00 0.00 C ATOM 768 CG1 VAL A 51 13.712 0.771 12.407 1.00 0.00 C ATOM 769 CG2 VAL A 51 12.943 -1.417 13.397 1.00 0.00 C ATOM 0 H VAL A 51 14.025 -0.285 9.346 1.00 0.00 H new ATOM 0 HA VAL A 51 12.345 -2.011 11.063 1.00 0.00 H new ATOM 0 HB VAL A 51 14.617 -1.139 12.102 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.250 0.972 13.333 1.00 0.00 H new ATOM 0 HG12 VAL A 51 14.249 1.219 11.571 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.712 1.201 12.468 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.497 -1.172 14.303 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.916 -1.064 13.493 1.00 0.00 H new ATOM 0 HG23 VAL A 51 12.943 -2.497 13.253 1.00 0.00 H new ATOM 779 N GLN A 52 10.823 0.109 11.458 1.00 0.00 N ATOM 780 CA GLN A 52 9.741 1.058 11.262 1.00 0.00 C ATOM 781 C GLN A 52 10.235 2.485 11.510 1.00 0.00 C ATOM 782 O GLN A 52 10.444 2.883 12.655 1.00 0.00 O ATOM 783 CB GLN A 52 8.551 0.726 12.164 1.00 0.00 C ATOM 784 CG GLN A 52 8.211 -0.764 12.097 1.00 0.00 C ATOM 785 CD GLN A 52 8.098 -1.365 13.500 1.00 0.00 C ATOM 786 OE1 GLN A 52 8.809 -0.996 14.420 1.00 0.00 O ATOM 787 NE2 GLN A 52 7.167 -2.307 13.611 1.00 0.00 N ATOM 0 H GLN A 52 10.770 -0.425 12.325 1.00 0.00 H new ATOM 0 HA GLN A 52 9.403 0.986 10.228 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.781 1.004 13.192 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.685 1.314 11.861 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.272 -0.902 11.562 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.980 -1.291 11.533 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.606 -2.568 12.800 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.013 -2.769 14.507 1.00 0.00 H new ATOM 796 N HIS A 53 10.408 3.215 10.419 1.00 0.00 N ATOM 797 CA HIS A 53 10.874 4.589 10.503 1.00 0.00 C ATOM 798 C HIS A 53 10.512 5.334 9.217 1.00 0.00 C ATOM 799 O HIS A 53 11.281 6.168 8.741 1.00 0.00 O ATOM 800 CB HIS A 53 12.371 4.637 10.815 1.00 0.00 C ATOM 801 CG HIS A 53 12.696 5.163 12.192 1.00 0.00 C ATOM 802 ND1 HIS A 53 12.066 6.267 12.740 1.00 0.00 N ATOM 803 CD2 HIS A 53 13.588 4.725 13.126 1.00 0.00 C ATOM 804 CE1 HIS A 53 12.565 6.476 13.950 1.00 0.00 C ATOM 805 NE2 HIS A 53 13.509 5.520 14.187 1.00 0.00 N ATOM 0 H HIS A 53 10.234 2.881 9.471 1.00 0.00 H new ATOM 0 HA HIS A 53 10.374 5.096 11.328 1.00 0.00 H new ATOM 0 HB2 HIS A 53 12.785 3.634 10.714 1.00 0.00 H new ATOM 0 HB3 HIS A 53 12.866 5.263 10.072 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.247 3.876 13.021 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.275 7.264 14.629 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.063 5.431 15.039 1.00 0.00 H new ATOM 813 N ILE A 54 9.341 5.006 8.690 1.00 0.00 N ATOM 814 CA ILE A 54 8.868 5.633 7.468 1.00 0.00 C ATOM 815 C ILE A 54 7.645 6.496 7.784 1.00 0.00 C ATOM 816 O ILE A 54 7.063 7.105 6.888 1.00 0.00 O ATOM 817 CB ILE A 54 8.615 4.579 6.388 1.00 0.00 C ATOM 818 CG1 ILE A 54 9.884 3.775 6.099 1.00 0.00 C ATOM 819 CG2 ILE A 54 8.041 5.219 5.122 1.00 0.00 C ATOM 820 CD1 ILE A 54 9.554 2.301 5.850 1.00 0.00 C ATOM 0 H ILE A 54 8.706 4.314 9.087 1.00 0.00 H new ATOM 0 HA ILE A 54 9.630 6.297 7.060 1.00 0.00 H new ATOM 0 HB ILE A 54 7.868 3.878 6.762 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.391 4.190 5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.572 3.860 6.940 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.870 4.449 4.370 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.097 5.711 5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 54 8.746 5.954 4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.473 1.752 5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.069 1.883 6.732 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.885 2.218 4.994 1.00 0.00 H new ATOM 832 N SER A 55 7.292 6.521 9.060 1.00 0.00 N ATOM 833 CA SER A 55 6.148 7.300 9.506 1.00 0.00 C ATOM 834 C SER A 55 4.908 6.917 8.696 1.00 0.00 C ATOM 835 O SER A 55 4.148 7.786 8.269 1.00 0.00 O ATOM 836 CB SER A 55 6.421 8.800 9.381 1.00 0.00 C ATOM 837 OG SER A 55 6.043 9.511 10.557 1.00 0.00 O ATOM 0 H SER A 55 7.778 6.014 9.800 1.00 0.00 H new ATOM 0 HA SER A 55 5.971 7.077 10.558 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.481 8.961 9.185 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.875 9.198 8.526 1.00 0.00 H new ATOM 0 HG SER A 55 6.235 10.465 10.438 1.00 0.00 H new ATOM 843 N TRP A 56 4.740 5.616 8.509 1.00 0.00 N ATOM 844 CA TRP A 56 3.605 5.108 7.759 1.00 0.00 C ATOM 845 C TRP A 56 2.354 5.853 8.231 1.00 0.00 C ATOM 846 O TRP A 56 1.553 6.307 7.415 1.00 0.00 O ATOM 847 CB TRP A 56 3.487 3.589 7.904 1.00 0.00 C ATOM 848 CG TRP A 56 4.477 2.803 7.043 1.00 0.00 C ATOM 849 CD1 TRP A 56 5.428 1.950 7.450 1.00 0.00 C ATOM 850 CD2 TRP A 56 4.577 2.831 5.603 1.00 0.00 C ATOM 851 NE1 TRP A 56 6.130 1.429 6.382 1.00 0.00 N ATOM 852 CE2 TRP A 56 5.596 1.982 5.224 1.00 0.00 C ATOM 853 CE3 TRP A 56 3.830 3.550 4.654 1.00 0.00 C ATOM 854 CZ2 TRP A 56 5.961 1.772 3.889 1.00 0.00 C ATOM 855 CZ3 TRP A 56 4.208 3.330 3.324 1.00 0.00 C ATOM 856 CH2 TRP A 56 5.231 2.478 2.925 1.00 0.00 C ATOM 0 H TRP A 56 5.372 4.898 8.864 1.00 0.00 H new ATOM 0 HA TRP A 56 3.736 5.289 6.692 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.638 3.321 8.950 1.00 0.00 H new ATOM 0 HB3 TRP A 56 2.473 3.287 7.641 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.620 1.702 8.483 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.899 0.761 6.433 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.028 4.219 4.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.763 1.101 3.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.667 3.860 2.554 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.462 2.361 1.876 1.00 0.00 H new ATOM 867 N SER A 57 2.226 5.955 9.545 1.00 0.00 N ATOM 868 CA SER A 57 1.087 6.636 10.136 1.00 0.00 C ATOM 869 C SER A 57 0.895 8.002 9.474 1.00 0.00 C ATOM 870 O SER A 57 -0.188 8.308 8.976 1.00 0.00 O ATOM 871 CB SER A 57 1.265 6.799 11.647 1.00 0.00 C ATOM 872 OG SER A 57 1.098 5.564 12.339 1.00 0.00 O ATOM 0 H SER A 57 2.893 5.577 10.218 1.00 0.00 H new ATOM 0 HA SER A 57 0.199 6.028 9.966 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.257 7.200 11.854 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.543 7.525 12.021 1.00 0.00 H new ATOM 0 HG SER A 57 1.221 5.709 13.300 1.00 0.00 H new ATOM 878 N TYR A 58 1.962 8.788 9.490 1.00 0.00 N ATOM 879 CA TYR A 58 1.924 10.114 8.898 1.00 0.00 C ATOM 880 C TYR A 58 1.759 10.032 7.379 1.00 0.00 C ATOM 881 O TYR A 58 1.022 10.819 6.787 1.00 0.00 O ATOM 882 CB TYR A 58 3.274 10.758 9.218 1.00 0.00 C ATOM 883 CG TYR A 58 3.512 12.091 8.507 1.00 0.00 C ATOM 884 CD1 TYR A 58 2.710 13.178 8.791 1.00 0.00 C ATOM 885 CD2 TYR A 58 4.529 12.207 7.581 1.00 0.00 C ATOM 886 CE1 TYR A 58 2.934 14.433 8.121 1.00 0.00 C ATOM 887 CE2 TYR A 58 4.753 13.462 6.911 1.00 0.00 C ATOM 888 CZ TYR A 58 3.945 14.513 7.215 1.00 0.00 C ATOM 889 OH TYR A 58 4.156 15.698 6.582 1.00 0.00 O ATOM 0 H TYR A 58 2.858 8.531 9.904 1.00 0.00 H new ATOM 0 HA TYR A 58 1.084 10.686 9.292 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.344 10.915 10.294 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.069 10.065 8.944 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.914 13.087 9.516 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.157 11.357 7.359 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.313 15.291 8.333 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.545 13.566 6.184 1.00 0.00 H new ATOM 0 HH TYR A 58 4.911 15.609 5.964 1.00 0.00 H new ATOM 899 N VAL A 59 2.457 9.071 6.791 1.00 0.00 N ATOM 900 CA VAL A 59 2.397 8.876 5.352 1.00 0.00 C ATOM 901 C VAL A 59 0.934 8.778 4.916 1.00 0.00 C ATOM 902 O VAL A 59 0.503 9.490 4.010 1.00 0.00 O ATOM 903 CB VAL A 59 3.222 7.651 4.956 1.00 0.00 C ATOM 904 CG1 VAL A 59 2.948 7.251 3.505 1.00 0.00 C ATOM 905 CG2 VAL A 59 4.715 7.898 5.183 1.00 0.00 C ATOM 0 H VAL A 59 3.067 8.419 7.285 1.00 0.00 H new ATOM 0 HA VAL A 59 2.835 9.728 4.832 1.00 0.00 H new ATOM 0 HB VAL A 59 2.918 6.822 5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.547 6.377 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.891 7.013 3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.210 8.077 2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.279 7.011 4.893 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.039 8.747 4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.892 8.112 6.237 1.00 0.00 H new ATOM 915 N TRP A 60 0.209 7.890 5.581 1.00 0.00 N ATOM 916 CA TRP A 60 -1.197 7.690 5.273 1.00 0.00 C ATOM 917 C TRP A 60 -1.947 8.973 5.633 1.00 0.00 C ATOM 918 O TRP A 60 -2.831 9.407 4.896 1.00 0.00 O ATOM 919 CB TRP A 60 -1.745 6.455 5.992 1.00 0.00 C ATOM 920 CG TRP A 60 -0.960 5.172 5.712 1.00 0.00 C ATOM 921 CD1 TRP A 60 -0.214 4.458 6.566 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.873 4.475 4.451 1.00 0.00 C ATOM 923 NE1 TRP A 60 0.345 3.356 5.950 1.00 0.00 N ATOM 924 CE2 TRP A 60 -0.069 3.367 4.623 1.00 0.00 C ATOM 925 CE3 TRP A 60 -1.455 4.772 3.206 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.227 2.467 3.593 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -1.150 3.862 2.186 1.00 0.00 C ATOM 928 CH2 TRP A 60 -0.342 2.742 2.343 1.00 0.00 C ATOM 0 H TRP A 60 0.569 7.301 6.332 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.335 7.493 4.210 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.744 6.642 7.066 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.783 6.306 5.695 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -0.068 4.713 7.605 1.00 0.00 H new ATOM 0 HE1 TRP A 60 0.950 2.662 6.388 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.087 5.633 3.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 0.860 1.607 3.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.572 4.043 1.209 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.154 2.087 1.505 1.00 0.00 H new ATOM 939 N ARG A 61 -1.568 9.545 6.766 1.00 0.00 N ATOM 940 CA ARG A 61 -2.194 10.770 7.233 1.00 0.00 C ATOM 941 C ARG A 61 -1.965 11.900 6.226 1.00 0.00 C ATOM 942 O ARG A 61 -2.668 12.909 6.251 1.00 0.00 O ATOM 943 CB ARG A 61 -1.637 11.190 8.595 1.00 0.00 C ATOM 944 CG ARG A 61 -2.620 12.101 9.332 1.00 0.00 C ATOM 945 CD ARG A 61 -1.891 12.992 10.340 1.00 0.00 C ATOM 946 NE ARG A 61 -2.703 13.136 11.569 1.00 0.00 N ATOM 947 CZ ARG A 61 -3.729 13.988 11.696 1.00 0.00 C ATOM 948 NH1 ARG A 61 -4.074 14.779 10.671 1.00 0.00 N ATOM 949 NH2 ARG A 61 -4.409 14.051 12.849 1.00 0.00 N ATOM 0 H ARG A 61 -0.834 9.182 7.375 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.262 10.578 7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.434 10.305 9.198 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.687 11.708 8.460 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.155 12.721 8.613 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.365 11.496 9.848 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.920 12.560 10.584 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.703 13.972 9.902 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.467 12.550 12.370 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.555 14.732 9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.855 15.428 10.768 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.145 13.450 13.630 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.190 14.700 12.946 1.00 0.00 H new ATOM 963 N THR A 62 -0.980 11.691 5.365 1.00 0.00 N ATOM 964 CA THR A 62 -0.651 12.679 4.352 1.00 0.00 C ATOM 965 C THR A 62 -1.201 12.251 2.990 1.00 0.00 C ATOM 966 O THR A 62 -2.020 12.953 2.399 1.00 0.00 O ATOM 967 CB THR A 62 0.867 12.876 4.360 1.00 0.00 C ATOM 968 OG1 THR A 62 1.114 13.621 5.549 1.00 0.00 O ATOM 969 CG2 THR A 62 1.343 13.798 3.236 1.00 0.00 C ATOM 0 H THR A 62 -0.399 10.853 5.348 1.00 0.00 H new ATOM 0 HA THR A 62 -1.120 13.639 4.569 1.00 0.00 H new ATOM 0 HB THR A 62 1.359 11.908 4.268 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.071 13.597 5.757 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.427 13.904 3.287 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.065 13.371 2.273 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.877 14.777 3.347 1.00 0.00 H new ATOM 977 N TYR A 63 -0.728 11.101 2.532 1.00 0.00 N ATOM 978 CA TYR A 63 -1.163 10.571 1.251 1.00 0.00 C ATOM 979 C TYR A 63 -2.255 9.515 1.436 1.00 0.00 C ATOM 980 O TYR A 63 -2.336 8.879 2.486 1.00 0.00 O ATOM 981 CB TYR A 63 0.068 9.911 0.628 1.00 0.00 C ATOM 982 CG TYR A 63 1.171 10.896 0.235 1.00 0.00 C ATOM 983 CD1 TYR A 63 1.155 11.489 -1.011 1.00 0.00 C ATOM 984 CD2 TYR A 63 2.183 11.191 1.127 1.00 0.00 C ATOM 985 CE1 TYR A 63 2.193 12.416 -1.380 1.00 0.00 C ATOM 986 CE2 TYR A 63 3.221 12.118 0.757 1.00 0.00 C ATOM 987 CZ TYR A 63 3.175 12.685 -0.478 1.00 0.00 C ATOM 988 OH TYR A 63 4.155 13.560 -0.827 1.00 0.00 O ATOM 0 H TYR A 63 -0.048 10.522 3.025 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.573 11.365 0.627 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.476 9.187 1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.240 9.354 -0.257 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.364 11.258 -1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.196 10.727 2.102 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.192 12.887 -2.352 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.018 12.358 1.445 1.00 0.00 H new ATOM 0 HH TYR A 63 4.787 13.656 -0.084 1.00 0.00 H new ATOM 998 N HIS A 64 -3.066 9.361 0.400 1.00 0.00 N ATOM 999 CA HIS A 64 -4.149 8.393 0.436 1.00 0.00 C ATOM 1000 C HIS A 64 -4.049 7.466 -0.777 1.00 0.00 C ATOM 1001 O HIS A 64 -3.278 7.726 -1.700 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.504 9.097 0.533 1.00 0.00 C ATOM 1003 CG HIS A 64 -5.864 9.546 1.929 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -6.103 8.659 2.964 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -6.021 10.797 2.450 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -6.392 9.355 4.054 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -6.341 10.680 3.733 1.00 0.00 N ATOM 0 H HIS A 64 -2.995 9.890 -0.469 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.060 7.776 1.330 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.499 9.965 -0.127 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.279 8.423 0.168 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.063 7.642 2.899 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.905 11.725 1.910 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.627 8.945 5.025 1.00 0.00 H new ATOM 1015 N LEU A 65 -4.839 6.403 -0.737 1.00 0.00 N ATOM 1016 CA LEU A 65 -4.849 5.436 -1.821 1.00 0.00 C ATOM 1017 C LEU A 65 -6.011 5.748 -2.766 1.00 0.00 C ATOM 1018 O LEU A 65 -7.174 5.655 -2.377 1.00 0.00 O ATOM 1019 CB LEU A 65 -4.872 4.010 -1.267 1.00 0.00 C ATOM 1020 CG LEU A 65 -3.642 3.582 -0.464 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -3.788 2.144 0.038 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -2.361 3.778 -1.278 1.00 0.00 C ATOM 0 H LEU A 65 -5.477 6.190 0.030 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.933 5.511 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.751 3.902 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.995 3.319 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.567 4.223 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.900 1.865 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.667 2.070 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.901 1.472 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.502 3.466 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.412 3.178 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.256 4.830 -1.544 1.00 0.00 H new ATOM 1034 N THR A 66 -5.656 6.111 -3.990 1.00 0.00 N ATOM 1035 CA THR A 66 -6.655 6.436 -4.993 1.00 0.00 C ATOM 1036 C THR A 66 -6.734 5.329 -6.046 1.00 0.00 C ATOM 1037 O THR A 66 -5.806 4.534 -6.187 1.00 0.00 O ATOM 1038 CB THR A 66 -6.308 7.807 -5.578 1.00 0.00 C ATOM 1039 OG1 THR A 66 -6.917 7.799 -6.866 1.00 0.00 O ATOM 1040 CG2 THR A 66 -4.814 7.957 -5.873 1.00 0.00 C ATOM 0 H THR A 66 -4.690 6.187 -4.309 1.00 0.00 H new ATOM 0 HA THR A 66 -7.651 6.495 -4.554 1.00 0.00 H new ATOM 0 HB THR A 66 -6.621 8.587 -4.884 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.891 7.833 -6.767 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.622 8.947 -6.286 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.247 7.833 -4.951 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.507 7.198 -6.593 1.00 0.00 H new ATOM 1048 N SER A 67 -7.851 5.313 -6.759 1.00 0.00 N ATOM 1049 CA SER A 67 -8.063 4.316 -7.795 1.00 0.00 C ATOM 1050 C SER A 67 -8.610 4.983 -9.058 1.00 0.00 C ATOM 1051 O SER A 67 -8.052 4.818 -10.142 1.00 0.00 O ATOM 1052 CB SER A 67 -9.018 3.220 -7.317 1.00 0.00 C ATOM 1053 OG SER A 67 -10.238 3.758 -6.814 1.00 0.00 O ATOM 0 H SER A 67 -8.618 5.974 -6.640 1.00 0.00 H new ATOM 0 HA SER A 67 -7.104 3.850 -8.024 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.234 2.542 -8.142 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.533 2.631 -6.539 1.00 0.00 H new ATOM 0 HG SER A 67 -10.821 3.027 -6.521 1.00 0.00 H new ATOM 1059 N ALA A 68 -9.694 5.722 -8.877 1.00 0.00 N ATOM 1060 CA ALA A 68 -10.322 6.415 -9.989 1.00 0.00 C ATOM 1061 C ALA A 68 -11.287 7.471 -9.447 1.00 0.00 C ATOM 1062 O ALA A 68 -12.500 7.353 -9.613 1.00 0.00 O ATOM 1063 CB ALA A 68 -11.019 5.399 -10.896 1.00 0.00 C ATOM 0 H ALA A 68 -10.154 5.856 -7.977 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.574 6.930 -10.591 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -11.490 5.919 -11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -10.285 4.689 -11.278 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.779 4.864 -10.326 1.00 0.00 H new ATOM 1069 N GLY A 69 -10.712 8.481 -8.810 1.00 0.00 N ATOM 1070 CA GLY A 69 -11.506 9.558 -8.243 1.00 0.00 C ATOM 1071 C GLY A 69 -12.080 9.157 -6.882 1.00 0.00 C ATOM 1072 O GLY A 69 -12.661 9.984 -6.182 1.00 0.00 O ATOM 0 H GLY A 69 -9.706 8.576 -8.674 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.890 10.450 -8.133 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.318 9.813 -8.924 1.00 0.00 H new ATOM 1076 N GLU A 70 -11.896 7.888 -6.549 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.388 7.368 -5.284 1.00 0.00 C ATOM 1078 C GLU A 70 -11.235 7.211 -4.290 1.00 0.00 C ATOM 1079 O GLU A 70 -10.422 6.297 -4.416 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.122 6.041 -5.486 1.00 0.00 C ATOM 1081 CG GLU A 70 -14.337 6.220 -6.399 1.00 0.00 C ATOM 1082 CD GLU A 70 -14.345 5.169 -7.512 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -13.743 5.458 -8.569 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -14.952 4.102 -7.281 1.00 0.00 O ATOM 0 H GLU A 70 -11.413 7.205 -7.133 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.102 8.082 -4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.442 5.307 -5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.442 5.648 -4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.252 6.141 -5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.324 7.218 -6.836 1.00 0.00 H new ATOM 1091 N LYS A 71 -11.202 8.118 -3.324 1.00 0.00 N ATOM 1092 CA LYS A 71 -10.163 8.091 -2.309 1.00 0.00 C ATOM 1093 C LYS A 71 -10.403 6.908 -1.370 1.00 0.00 C ATOM 1094 O LYS A 71 -11.409 6.866 -0.663 1.00 0.00 O ATOM 1095 CB LYS A 71 -10.081 9.440 -1.591 1.00 0.00 C ATOM 1096 CG LYS A 71 -9.845 10.578 -2.586 1.00 0.00 C ATOM 1097 CD LYS A 71 -9.277 11.812 -1.883 1.00 0.00 C ATOM 1098 CE LYS A 71 -8.283 12.547 -2.784 1.00 0.00 C ATOM 1099 NZ LYS A 71 -8.835 13.853 -3.209 1.00 0.00 N ATOM 0 H LYS A 71 -11.878 8.875 -3.223 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.186 7.940 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.004 9.619 -1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.273 9.418 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.156 10.249 -3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.783 10.835 -3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.090 12.484 -1.608 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.783 11.513 -0.958 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.344 12.698 -2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.058 11.938 -3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.147 14.338 -3.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.719 13.702 -3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.027 14.438 -2.371 1.00 0.00 H new ATOM 1113 N LEU A 72 -9.463 5.975 -1.392 1.00 0.00 N ATOM 1114 CA LEU A 72 -9.559 4.794 -0.551 1.00 0.00 C ATOM 1115 C LEU A 72 -9.121 5.149 0.871 1.00 0.00 C ATOM 1116 O LEU A 72 -7.992 4.861 1.266 1.00 0.00 O ATOM 1117 CB LEU A 72 -8.774 3.633 -1.165 1.00 0.00 C ATOM 1118 CG LEU A 72 -8.917 3.453 -2.678 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -7.786 2.587 -3.236 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.296 2.895 -3.036 1.00 0.00 C ATOM 0 H LEU A 72 -8.630 6.013 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.592 4.452 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.718 3.772 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.088 2.710 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.834 4.433 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.911 2.475 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.827 3.063 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.812 1.605 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.371 2.777 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.433 1.927 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.068 3.584 -2.692 1.00 0.00 H new ATOM 1132 N THR A 73 -10.036 5.769 1.601 1.00 0.00 N ATOM 1133 CA THR A 73 -9.758 6.166 2.971 1.00 0.00 C ATOM 1134 C THR A 73 -10.562 5.307 3.949 1.00 0.00 C ATOM 1135 O THR A 73 -10.033 4.855 4.963 1.00 0.00 O ATOM 1136 CB THR A 73 -10.047 7.663 3.097 1.00 0.00 C ATOM 1137 OG1 THR A 73 -11.405 7.791 2.683 1.00 0.00 O ATOM 1138 CG2 THR A 73 -9.267 8.498 2.080 1.00 0.00 C ATOM 0 H THR A 73 -10.971 6.006 1.270 1.00 0.00 H new ATOM 0 HA THR A 73 -8.711 6.000 3.227 1.00 0.00 H new ATOM 0 HB THR A 73 -9.800 7.996 4.105 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.676 8.731 2.736 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.509 9.552 2.213 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.198 8.349 2.231 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.538 8.188 1.071 1.00 0.00 H new ATOM 1146 N GLU A 74 -11.827 5.107 3.609 1.00 0.00 N ATOM 1147 CA GLU A 74 -12.709 4.310 4.444 1.00 0.00 C ATOM 1148 C GLU A 74 -12.110 2.922 4.676 1.00 0.00 C ATOM 1149 O GLU A 74 -11.888 2.171 3.727 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.105 4.209 3.827 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.056 5.234 4.449 1.00 0.00 C ATOM 1152 CD GLU A 74 -15.261 6.428 3.515 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -14.238 7.050 3.155 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -16.437 6.693 3.182 1.00 0.00 O ATOM 0 H GLU A 74 -12.262 5.483 2.767 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.810 4.806 5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.043 4.371 2.751 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.500 3.204 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.016 4.763 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.653 5.578 5.402 1.00 0.00 H new ATOM 1161 N ASP A 75 -11.865 2.622 5.943 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.296 1.337 6.312 1.00 0.00 C ATOM 1163 C ASP A 75 -12.419 0.307 6.450 1.00 0.00 C ATOM 1164 O ASP A 75 -12.233 -0.865 6.128 1.00 0.00 O ATOM 1165 CB ASP A 75 -10.565 1.423 7.653 1.00 0.00 C ATOM 1166 CG ASP A 75 -9.929 2.781 7.958 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -8.813 3.012 7.446 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -10.574 3.556 8.697 1.00 0.00 O ATOM 0 H ASP A 75 -12.050 3.247 6.727 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.590 1.045 5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.269 1.182 8.449 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.786 0.661 7.674 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.559 0.783 6.929 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.712 -0.082 7.113 1.00 0.00 C ATOM 1175 C ARG A 76 -15.289 -0.493 5.758 1.00 0.00 C ATOM 1176 O ARG A 76 -15.883 -1.563 5.631 1.00 0.00 O ATOM 1177 CB ARG A 76 -15.799 0.617 7.932 1.00 0.00 C ATOM 1178 CG ARG A 76 -15.618 0.348 9.427 1.00 0.00 C ATOM 1179 CD ARG A 76 -16.703 -0.597 9.949 1.00 0.00 C ATOM 1180 NE ARG A 76 -16.499 -0.853 11.393 1.00 0.00 N ATOM 1181 CZ ARG A 76 -17.088 -1.848 12.070 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -17.922 -2.686 11.438 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -16.844 -2.004 13.378 1.00 0.00 N ATOM 0 H ARG A 76 -13.709 1.756 7.195 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.379 -0.968 7.653 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -15.766 1.690 7.746 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.781 0.268 7.612 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.635 -0.087 9.605 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -15.655 1.289 9.977 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.688 -0.160 9.784 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.675 -1.537 9.397 1.00 0.00 H new ATOM 0 HE ARG A 76 -15.871 -0.233 11.904 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.108 -2.566 10.442 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -18.371 -3.444 11.953 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.210 -1.365 13.858 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.292 -2.761 13.894 1.00 0.00 H new ATOM 1197 N LYS A 77 -15.094 0.378 4.778 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.588 0.118 3.437 1.00 0.00 C ATOM 1199 C LYS A 77 -14.668 -0.890 2.745 1.00 0.00 C ATOM 1200 O LYS A 77 -13.461 -0.672 2.652 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.755 1.428 2.664 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.442 1.187 1.318 1.00 0.00 C ATOM 1203 CD LYS A 77 -16.989 2.494 0.740 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.278 2.249 -0.045 1.00 0.00 C ATOM 1205 NZ LYS A 77 -19.178 3.420 0.057 1.00 0.00 N ATOM 0 H LYS A 77 -14.601 1.264 4.887 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.580 -0.331 3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.342 2.131 3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.779 1.885 2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.733 0.744 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -17.255 0.472 1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.180 3.201 1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.243 2.948 0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.042 2.054 -1.091 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.781 1.362 0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.049 3.237 -0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.417 3.588 1.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.701 4.259 -0.331 1.00 0.00 H new ATOM 1219 N LYS A 78 -15.273 -1.973 2.279 1.00 0.00 N ATOM 1220 CA LYS A 78 -14.523 -3.015 1.599 1.00 0.00 C ATOM 1221 C LYS A 78 -14.026 -2.484 0.253 1.00 0.00 C ATOM 1222 O LYS A 78 -14.512 -1.465 -0.234 1.00 0.00 O ATOM 1223 CB LYS A 78 -15.361 -4.290 1.486 1.00 0.00 C ATOM 1224 CG LYS A 78 -15.492 -4.983 2.844 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.962 -5.176 3.221 1.00 0.00 C ATOM 1226 CE LYS A 78 -17.133 -6.361 4.174 1.00 0.00 C ATOM 1227 NZ LYS A 78 -18.541 -6.817 4.187 1.00 0.00 N ATOM 0 H LYS A 78 -16.274 -2.151 2.359 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.642 -3.290 2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -16.351 -4.046 1.102 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.900 -4.970 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.991 -5.950 2.813 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.991 -4.389 3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -17.343 -4.269 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.553 -5.341 2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.482 -7.180 3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.829 -6.073 5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.639 -7.622 4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -19.155 -6.039 4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -18.819 -7.111 3.229 1.00 0.00 H new ATOM 1241 N LEU A 79 -13.063 -3.199 -0.309 1.00 0.00 N ATOM 1242 CA LEU A 79 -12.494 -2.813 -1.589 1.00 0.00 C ATOM 1243 C LEU A 79 -13.543 -3.003 -2.687 1.00 0.00 C ATOM 1244 O LEU A 79 -13.653 -2.181 -3.595 1.00 0.00 O ATOM 1245 CB LEU A 79 -11.190 -3.571 -1.847 1.00 0.00 C ATOM 1246 CG LEU A 79 -10.026 -3.242 -0.910 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.728 -3.886 -1.400 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.882 -1.730 -0.726 1.00 0.00 C ATOM 0 H LEU A 79 -12.662 -4.044 0.099 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.226 -1.757 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.394 -4.639 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.874 -3.372 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.245 -3.667 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.917 -3.636 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.850 -4.968 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.490 -3.513 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.048 -1.523 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.696 -1.262 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.800 -1.326 -0.298 1.00 0.00 H new ATOM 1260 N ARG A 80 -14.287 -4.093 -2.567 1.00 0.00 N ATOM 1261 CA ARG A 80 -15.324 -4.401 -3.537 1.00 0.00 C ATOM 1262 C ARG A 80 -16.319 -3.244 -3.637 1.00 0.00 C ATOM 1263 O ARG A 80 -16.933 -3.036 -4.683 1.00 0.00 O ATOM 1264 CB ARG A 80 -16.074 -5.679 -3.155 1.00 0.00 C ATOM 1265 CG ARG A 80 -16.320 -5.739 -1.646 1.00 0.00 C ATOM 1266 CD ARG A 80 -17.736 -6.231 -1.340 1.00 0.00 C ATOM 1267 NE ARG A 80 -17.713 -7.154 -0.183 1.00 0.00 N ATOM 1268 CZ ARG A 80 -18.734 -7.949 0.164 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -19.865 -7.939 -0.554 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -18.624 -8.754 1.229 1.00 0.00 N ATOM 0 H ARG A 80 -14.192 -4.773 -1.813 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.840 -4.552 -4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -17.026 -5.718 -3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.499 -6.550 -3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.592 -6.404 -1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -16.173 -4.751 -1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -18.386 -5.383 -1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -18.150 -6.738 -2.212 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.867 -7.187 0.386 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -19.949 -7.326 -1.365 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -20.642 -8.544 -0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.763 -8.762 1.776 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -19.401 -9.359 1.493 1.00 0.00 H new ATOM 1284 N ASP A 81 -16.449 -2.520 -2.534 1.00 0.00 N ATOM 1285 CA ASP A 81 -17.360 -1.389 -2.484 1.00 0.00 C ATOM 1286 C ASP A 81 -16.772 -0.230 -3.292 1.00 0.00 C ATOM 1287 O ASP A 81 -17.502 0.652 -3.740 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.563 -0.909 -1.046 1.00 0.00 C ATOM 1289 CG ASP A 81 -19.000 -1.002 -0.530 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -19.912 -0.707 -1.332 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -19.155 -1.367 0.656 1.00 0.00 O ATOM 0 H ASP A 81 -15.939 -2.695 -1.668 1.00 0.00 H new ATOM 0 HA ASP A 81 -18.317 -1.708 -2.896 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.919 -1.494 -0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -17.234 0.128 -0.975 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.457 -0.270 -3.452 1.00 0.00 N ATOM 1297 CA TYR A 82 -14.762 0.766 -4.198 1.00 0.00 C ATOM 1298 C TYR A 82 -14.547 0.344 -5.652 1.00 0.00 C ATOM 1299 O TYR A 82 -13.698 0.902 -6.345 1.00 0.00 O ATOM 1300 CB TYR A 82 -13.401 0.931 -3.520 1.00 0.00 C ATOM 1301 CG TYR A 82 -13.324 2.120 -2.560 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -13.009 3.375 -3.039 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.570 1.937 -1.214 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -12.937 4.494 -2.136 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.497 3.056 -0.310 1.00 0.00 C ATOM 1306 CZ TYR A 82 -13.185 4.279 -0.816 1.00 0.00 C ATOM 1307 OH TYR A 82 -13.116 5.336 0.038 1.00 0.00 O ATOM 0 H TYR A 82 -14.855 -1.003 -3.078 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.341 1.689 -4.204 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.167 0.019 -2.972 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.636 1.047 -4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -12.816 3.518 -4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.817 0.955 -0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.692 5.481 -2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.686 2.927 0.745 1.00 0.00 H new ATOM 0 HH TYR A 82 -12.715 6.103 -0.422 1.00 0.00 H new ATOM 1317 N GLY A 83 -15.330 -0.639 -6.072 1.00 0.00 N ATOM 1318 CA GLY A 83 -15.235 -1.143 -7.432 1.00 0.00 C ATOM 1319 C GLY A 83 -13.844 -1.716 -7.709 1.00 0.00 C ATOM 1320 O GLY A 83 -13.386 -1.719 -8.850 1.00 0.00 O ATOM 0 H GLY A 83 -16.033 -1.100 -5.495 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.988 -1.915 -7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.448 -0.339 -8.137 1.00 0.00 H new ATOM 1324 N ILE A 84 -13.211 -2.189 -6.645 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.882 -2.764 -6.759 1.00 0.00 C ATOM 1326 C ILE A 84 -11.993 -4.190 -7.301 1.00 0.00 C ATOM 1327 O ILE A 84 -12.988 -4.873 -7.064 1.00 0.00 O ATOM 1328 CB ILE A 84 -11.141 -2.669 -5.423 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -11.040 -1.216 -4.954 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -9.769 -3.341 -5.509 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -10.138 -0.401 -5.884 1.00 0.00 C ATOM 0 H ILE A 84 -13.594 -2.186 -5.700 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.281 -2.198 -7.471 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.718 -3.209 -4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -12.034 -0.770 -4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.645 -1.184 -3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -9.263 -3.260 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.895 -4.393 -5.765 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.171 -2.850 -6.276 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.083 0.628 -5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.138 -0.835 -5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.549 -0.414 -6.893 1.00 0.00 H new ATOM 1343 N ARG A 85 -10.956 -4.599 -8.018 1.00 0.00 N ATOM 1344 CA ARG A 85 -10.924 -5.932 -8.595 1.00 0.00 C ATOM 1345 C ARG A 85 -9.510 -6.510 -8.518 1.00 0.00 C ATOM 1346 O ARG A 85 -8.601 -5.869 -7.992 1.00 0.00 O ATOM 1347 CB ARG A 85 -11.380 -5.910 -10.056 1.00 0.00 C ATOM 1348 CG ARG A 85 -12.799 -5.351 -10.179 1.00 0.00 C ATOM 1349 CD ARG A 85 -13.828 -6.336 -9.620 1.00 0.00 C ATOM 1350 NE ARG A 85 -15.150 -6.093 -10.238 1.00 0.00 N ATOM 1351 CZ ARG A 85 -16.123 -7.011 -10.317 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -15.927 -8.239 -9.817 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -17.291 -6.701 -10.896 1.00 0.00 N ATOM 0 H ARG A 85 -10.132 -4.030 -8.212 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.608 -6.558 -8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.694 -5.303 -10.646 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.346 -6.919 -10.467 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -12.868 -4.404 -9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.022 -5.142 -11.225 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.508 -7.359 -9.817 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -13.898 -6.226 -8.538 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.332 -5.169 -10.629 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -15.038 -8.474 -9.377 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -16.667 -8.938 -9.877 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -17.439 -5.766 -11.277 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -18.032 -7.400 -10.956 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.368 -7.715 -9.050 1.00 0.00 N ATOM 1368 CA ASN A 86 -8.080 -8.387 -9.049 1.00 0.00 C ATOM 1369 C ASN A 86 -7.218 -7.831 -10.184 1.00 0.00 C ATOM 1370 O ASN A 86 -7.732 -7.493 -11.249 1.00 0.00 O ATOM 1371 CB ASN A 86 -8.243 -9.892 -9.272 1.00 0.00 C ATOM 1372 CG ASN A 86 -6.903 -10.543 -9.621 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -6.055 -10.770 -8.774 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -6.761 -10.829 -10.912 1.00 0.00 N ATOM 0 H ASN A 86 -10.124 -8.244 -9.485 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.611 -8.215 -8.080 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.653 -10.354 -8.374 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -8.958 -10.069 -10.076 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.902 -11.265 -11.246 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.511 -10.612 -11.568 1.00 0.00 H new ATOM 1381 N ARG A 87 -5.922 -7.755 -9.918 1.00 0.00 N ATOM 1382 CA ARG A 87 -4.984 -7.246 -10.904 1.00 0.00 C ATOM 1383 C ARG A 87 -5.282 -5.777 -11.211 1.00 0.00 C ATOM 1384 O ARG A 87 -5.080 -5.320 -12.335 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.056 -8.055 -12.201 1.00 0.00 C ATOM 1386 CG ARG A 87 -4.004 -9.166 -12.212 1.00 0.00 C ATOM 1387 CD ARG A 87 -3.586 -9.510 -13.643 1.00 0.00 C ATOM 1388 NE ARG A 87 -4.110 -10.843 -14.017 1.00 0.00 N ATOM 1389 CZ ARG A 87 -3.720 -11.526 -15.102 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -2.800 -11.007 -15.926 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -4.250 -12.729 -15.362 1.00 0.00 N ATOM 0 H ARG A 87 -5.500 -8.038 -9.034 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.981 -7.338 -10.486 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.050 -8.489 -12.309 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.902 -7.395 -13.055 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.131 -8.851 -11.640 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.403 -10.054 -11.722 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.964 -8.755 -14.332 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.499 -9.501 -13.725 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.812 -11.268 -13.411 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.396 -10.092 -15.728 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.503 -11.527 -16.752 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.950 -13.124 -14.734 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.954 -13.249 -16.188 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.756 -5.077 -10.191 1.00 0.00 N ATOM 1406 CA ASP A 88 -6.083 -3.669 -10.337 1.00 0.00 C ATOM 1407 C ASP A 88 -4.820 -2.831 -10.126 1.00 0.00 C ATOM 1408 O ASP A 88 -3.753 -3.373 -9.844 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.119 -3.233 -9.299 1.00 0.00 C ATOM 1410 CG ASP A 88 -7.982 -2.037 -9.709 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -8.165 -1.862 -10.933 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -8.440 -1.326 -8.788 1.00 0.00 O ATOM 0 H ASP A 88 -5.921 -5.459 -9.260 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.490 -3.520 -11.337 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.774 -4.078 -9.084 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.601 -2.987 -8.372 1.00 0.00 H new ATOM 1417 N GLU A 89 -4.984 -1.524 -10.269 1.00 0.00 N ATOM 1418 CA GLU A 89 -3.871 -0.607 -10.097 1.00 0.00 C ATOM 1419 C GLU A 89 -4.306 0.609 -9.277 1.00 0.00 C ATOM 1420 O GLU A 89 -5.062 1.450 -9.760 1.00 0.00 O ATOM 1421 CB GLU A 89 -3.299 -0.179 -11.450 1.00 0.00 C ATOM 1422 CG GLU A 89 -2.339 -1.237 -11.999 1.00 0.00 C ATOM 1423 CD GLU A 89 -2.125 -1.055 -13.503 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -3.123 -1.209 -14.240 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -0.969 -0.767 -13.882 1.00 0.00 O ATOM 0 H GLU A 89 -5.871 -1.079 -10.502 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.081 -1.124 -9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.112 -0.018 -12.158 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.776 0.771 -11.344 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.382 -1.169 -11.481 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.738 -2.232 -11.803 1.00 0.00 H new ATOM 1432 N VAL A 90 -3.811 0.662 -8.049 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.139 1.761 -7.157 1.00 0.00 C ATOM 1434 C VAL A 90 -3.013 2.797 -7.194 1.00 0.00 C ATOM 1435 O VAL A 90 -1.839 2.440 -7.282 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.415 1.228 -5.749 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.431 2.365 -4.726 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -5.723 0.435 -5.710 1.00 0.00 C ATOM 0 H VAL A 90 -3.185 -0.038 -7.651 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.050 2.260 -7.486 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.605 0.550 -5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.629 1.959 -3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.464 2.868 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.211 3.079 -4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.896 0.067 -4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.549 1.081 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.657 -0.409 -6.396 1.00 0.00 H new ATOM 1448 N SER A 91 -3.411 4.059 -7.125 1.00 0.00 N ATOM 1449 CA SER A 91 -2.450 5.148 -7.150 1.00 0.00 C ATOM 1450 C SER A 91 -2.419 5.849 -5.790 1.00 0.00 C ATOM 1451 O SER A 91 -3.345 5.707 -4.993 1.00 0.00 O ATOM 1452 CB SER A 91 -2.783 6.151 -8.256 1.00 0.00 C ATOM 1453 OG SER A 91 -3.851 5.698 -9.084 1.00 0.00 O ATOM 0 H SER A 91 -4.385 4.351 -7.052 1.00 0.00 H new ATOM 0 HA SER A 91 -1.465 4.731 -7.360 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.052 7.108 -7.809 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.898 6.323 -8.868 1.00 0.00 H new ATOM 0 HG SER A 91 -4.034 6.367 -9.776 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.343 6.591 -5.567 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.179 7.314 -4.318 1.00 0.00 C ATOM 1461 C PHE A 92 -1.389 8.815 -4.522 1.00 0.00 C ATOM 1462 O PHE A 92 -0.715 9.434 -5.343 1.00 0.00 O ATOM 1463 CB PHE A 92 0.256 7.071 -3.846 1.00 0.00 C ATOM 1464 CG PHE A 92 0.363 6.156 -2.624 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.306 6.466 -1.481 1.00 0.00 C ATOM 1466 CD2 PHE A 92 1.127 5.033 -2.681 1.00 0.00 C ATOM 1467 CE1 PHE A 92 -0.207 5.617 -0.348 1.00 0.00 C ATOM 1468 CE2 PHE A 92 1.226 4.184 -1.547 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.557 4.494 -0.404 1.00 0.00 C ATOM 0 H PHE A 92 -0.577 6.706 -6.231 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.911 6.968 -3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.828 6.635 -4.665 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.717 8.030 -3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.913 7.358 -1.436 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.658 4.787 -3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.739 5.863 0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.833 3.292 -1.592 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.633 3.848 0.458 1.00 0.00 H new ATOM 1479 N ILE A 93 -2.328 9.358 -3.760 1.00 0.00 N ATOM 1480 CA ILE A 93 -2.635 10.775 -3.847 1.00 0.00 C ATOM 1481 C ILE A 93 -2.137 11.479 -2.583 1.00 0.00 C ATOM 1482 O ILE A 93 -1.797 10.826 -1.597 1.00 0.00 O ATOM 1483 CB ILE A 93 -4.126 10.985 -4.120 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -4.382 12.359 -4.741 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -4.952 10.767 -2.850 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -5.430 12.271 -5.853 1.00 0.00 C ATOM 0 H ILE A 93 -2.886 8.842 -3.080 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.113 11.226 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.448 10.239 -4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.720 13.053 -3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.452 12.759 -5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.008 10.922 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.803 9.749 -2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.634 11.474 -2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.594 13.261 -6.278 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.078 11.595 -6.632 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -6.366 11.894 -5.442 1.00 0.00 H new ATOM 1498 N LYS A 94 -2.110 12.802 -2.653 1.00 0.00 N ATOM 1499 CA LYS A 94 -1.659 13.602 -1.526 1.00 0.00 C ATOM 1500 C LYS A 94 -2.821 14.455 -1.014 1.00 0.00 C ATOM 1501 O LYS A 94 -3.598 14.989 -1.804 1.00 0.00 O ATOM 1502 CB LYS A 94 -0.420 14.415 -1.908 1.00 0.00 C ATOM 1503 CG LYS A 94 0.006 15.335 -0.763 1.00 0.00 C ATOM 1504 CD LYS A 94 0.733 16.572 -1.295 1.00 0.00 C ATOM 1505 CE LYS A 94 2.250 16.403 -1.193 1.00 0.00 C ATOM 1506 NZ LYS A 94 2.928 17.133 -2.287 1.00 0.00 N ATOM 0 H LYS A 94 -2.393 13.340 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.348 12.959 -0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.398 13.741 -2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.630 15.009 -2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.871 15.641 -0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.658 14.792 -0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.452 16.745 -2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.423 17.451 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.599 16.774 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.508 15.345 -1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.956 16.994 -2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.595 16.772 -3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.710 18.147 -2.215 1.00 0.00 H new ATOM 1520 N LYS A 95 -2.902 14.557 0.304 1.00 0.00 N ATOM 1521 CA LYS A 95 -3.956 15.336 0.931 1.00 0.00 C ATOM 1522 C LYS A 95 -3.769 16.814 0.581 1.00 0.00 C ATOM 1523 O LYS A 95 -2.847 17.170 -0.152 1.00 0.00 O ATOM 1524 CB LYS A 95 -4.003 15.062 2.435 1.00 0.00 C ATOM 1525 CG LYS A 95 -4.875 13.843 2.744 1.00 0.00 C ATOM 1526 CD LYS A 95 -5.580 14.000 4.093 1.00 0.00 C ATOM 1527 CE LYS A 95 -7.004 14.528 3.909 1.00 0.00 C ATOM 1528 NZ LYS A 95 -7.616 14.837 5.221 1.00 0.00 N ATOM 0 H LYS A 95 -2.255 14.113 0.955 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.931 15.037 0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.993 14.895 2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.396 15.936 2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.616 13.712 1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.259 12.944 2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.608 13.039 4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.014 14.683 4.726 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.989 15.424 3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.608 13.787 3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.582 15.194 5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.648 13.974 5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.048 15.560 5.707 1.00 0.00 H new ATOM 1542 N LEU A 96 -4.658 17.634 1.121 1.00 0.00 N ATOM 1543 CA LEU A 96 -4.603 19.065 0.875 1.00 0.00 C ATOM 1544 C LEU A 96 -3.682 19.720 1.906 1.00 0.00 C ATOM 1545 O LEU A 96 -4.124 20.089 2.993 1.00 0.00 O ATOM 1546 CB LEU A 96 -6.012 19.659 0.844 1.00 0.00 C ATOM 1547 CG LEU A 96 -6.107 21.144 0.488 1.00 0.00 C ATOM 1548 CD1 LEU A 96 -6.552 21.333 -0.963 1.00 0.00 C ATOM 1549 CD2 LEU A 96 -7.019 21.885 1.468 1.00 0.00 C ATOM 0 H LEU A 96 -5.421 17.335 1.728 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.177 19.266 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.607 19.095 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.469 19.510 1.822 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.113 21.581 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.611 22.398 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.831 20.860 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.532 20.877 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.069 22.938 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.019 21.452 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.619 21.793 2.478 1.00 0.00 H new ATOM 1561 N GLY A 97 -2.418 19.845 1.529 1.00 0.00 N ATOM 1562 CA GLY A 97 -1.431 20.450 2.408 1.00 0.00 C ATOM 1563 C GLY A 97 -0.130 20.738 1.655 1.00 0.00 C ATOM 1564 O GLY A 97 0.330 21.878 1.618 1.00 0.00 O ATOM 0 H GLY A 97 -2.054 19.538 0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.828 21.376 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.230 19.785 3.248 1.00 0.00 H new ATOM 1568 N GLN A 98 0.426 19.684 1.075 1.00 0.00 N ATOM 1569 CA GLN A 98 1.664 19.810 0.326 1.00 0.00 C ATOM 1570 C GLN A 98 2.801 20.253 1.249 1.00 0.00 C ATOM 1571 O GLN A 98 3.626 19.438 1.660 1.00 0.00 O ATOM 1572 CB GLN A 98 1.500 20.779 -0.847 1.00 0.00 C ATOM 1573 CG GLN A 98 0.518 20.227 -1.882 1.00 0.00 C ATOM 1574 CD GLN A 98 0.434 21.145 -3.102 1.00 0.00 C ATOM 1575 OE1 GLN A 98 1.430 21.608 -3.633 1.00 0.00 O ATOM 1576 NE2 GLN A 98 -0.808 21.382 -3.517 1.00 0.00 N ATOM 0 H GLN A 98 0.042 18.740 1.109 1.00 0.00 H new ATOM 0 HA GLN A 98 1.917 18.833 -0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.144 21.742 -0.481 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.468 20.954 -1.316 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.834 19.231 -2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.469 20.123 -1.432 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.598 20.963 -3.027 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.970 21.983 -4.325 1.00 0.00 H new ATOM 1585 N LYS A 99 2.807 21.544 1.549 1.00 0.00 N ATOM 1586 CA LYS A 99 3.828 22.106 2.416 1.00 0.00 C ATOM 1587 C LYS A 99 5.109 22.330 1.610 1.00 0.00 C ATOM 1588 O LYS A 99 5.199 21.920 0.454 1.00 0.00 O ATOM 1589 CB LYS A 99 4.026 21.225 3.652 1.00 0.00 C ATOM 1590 CG LYS A 99 4.197 22.077 4.911 1.00 0.00 C ATOM 1591 CD LYS A 99 4.321 21.196 6.156 1.00 0.00 C ATOM 1592 CE LYS A 99 5.230 21.847 7.200 1.00 0.00 C ATOM 1593 NZ LYS A 99 4.425 22.567 8.212 1.00 0.00 N ATOM 0 H LYS A 99 2.121 22.217 1.207 1.00 0.00 H new ATOM 0 HA LYS A 99 3.513 23.079 2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.169 20.562 3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.903 20.592 3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.084 22.702 4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.345 22.748 5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.333 21.025 6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.721 20.221 5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.839 21.085 7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.916 22.540 6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.058 23.003 8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.863 23.307 7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.788 21.898 8.689 1.00 0.00 H new ATOM 1607 N SER A 100 6.068 22.981 2.252 1.00 0.00 N ATOM 1608 CA SER A 100 7.340 23.265 1.609 1.00 0.00 C ATOM 1609 C SER A 100 8.476 23.162 2.628 1.00 0.00 C ATOM 1610 O SER A 100 8.310 23.534 3.788 1.00 0.00 O ATOM 1611 CB SER A 100 7.332 24.652 0.961 1.00 0.00 C ATOM 1612 OG SER A 100 7.027 24.590 -0.429 1.00 0.00 O ATOM 0 H SER A 100 5.990 23.320 3.211 1.00 0.00 H new ATOM 0 HA SER A 100 7.498 22.527 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.600 25.283 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 100 8.306 25.122 1.098 1.00 0.00 H new ATOM 0 HG SER A 100 7.030 25.495 -0.805 1.00 0.00 H new ATOM 1618 N GLY A 101 9.606 22.655 2.157 1.00 0.00 N ATOM 1619 CA GLY A 101 10.770 22.497 3.013 1.00 0.00 C ATOM 1620 C GLY A 101 11.883 21.736 2.290 1.00 0.00 C ATOM 1621 O GLY A 101 11.621 20.998 1.342 1.00 0.00 O ATOM 0 H GLY A 101 9.740 22.348 1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.135 23.477 3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.489 21.962 3.920 1.00 0.00 H new ATOM 1625 N PRO A 102 13.134 21.947 2.779 1.00 0.00 N ATOM 1626 CA PRO A 102 14.288 21.289 2.190 1.00 0.00 C ATOM 1627 C PRO A 102 14.343 19.814 2.592 1.00 0.00 C ATOM 1628 O PRO A 102 14.454 19.493 3.774 1.00 0.00 O ATOM 1629 CB PRO A 102 15.487 22.084 2.682 1.00 0.00 C ATOM 1630 CG PRO A 102 15.002 22.865 3.892 1.00 0.00 C ATOM 1631 CD PRO A 102 13.483 22.815 3.900 1.00 0.00 C ATOM 0 HA PRO A 102 14.255 21.276 1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 102 16.311 21.422 2.949 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.855 22.755 1.906 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.403 22.435 4.810 1.00 0.00 H new ATOM 0 HG3 PRO A 102 15.350 23.897 3.845 1.00 0.00 H new ATOM 0 HD2 PRO A 102 13.105 22.417 4.842 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.054 23.810 3.779 1.00 0.00 H new ATOM 1639 N SER A 103 14.263 18.956 1.586 1.00 0.00 N ATOM 1640 CA SER A 103 14.302 17.523 1.820 1.00 0.00 C ATOM 1641 C SER A 103 14.959 16.816 0.632 1.00 0.00 C ATOM 1642 O SER A 103 14.862 17.281 -0.502 1.00 0.00 O ATOM 1643 CB SER A 103 12.897 16.965 2.057 1.00 0.00 C ATOM 1644 OG SER A 103 12.383 17.337 3.333 1.00 0.00 O ATOM 0 H SER A 103 14.171 19.226 0.607 1.00 0.00 H new ATOM 0 HA SER A 103 14.893 17.340 2.717 1.00 0.00 H new ATOM 0 HB2 SER A 103 12.227 17.326 1.277 1.00 0.00 H new ATOM 0 HB3 SER A 103 12.921 15.878 1.978 1.00 0.00 H new ATOM 0 HG SER A 103 13.003 17.960 3.766 1.00 0.00 H new ATOM 1650 N SER A 104 15.615 15.705 0.935 1.00 0.00 N ATOM 1651 CA SER A 104 16.288 14.930 -0.093 1.00 0.00 C ATOM 1652 C SER A 104 17.332 15.796 -0.802 1.00 0.00 C ATOM 1653 O SER A 104 16.993 16.598 -1.670 1.00 0.00 O ATOM 1654 CB SER A 104 15.287 14.371 -1.106 1.00 0.00 C ATOM 1655 OG SER A 104 14.539 13.283 -0.572 1.00 0.00 O ATOM 0 H SER A 104 15.695 15.323 1.878 1.00 0.00 H new ATOM 0 HA SER A 104 16.788 14.088 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 104 14.605 15.162 -1.416 1.00 0.00 H new ATOM 0 HB3 SER A 104 15.820 14.042 -1.998 1.00 0.00 H new ATOM 0 HG SER A 104 13.910 12.955 -1.248 1.00 0.00 H new ATOM 1661 N GLY A 105 18.582 15.605 -0.404 1.00 0.00 N ATOM 1662 CA GLY A 105 19.677 16.358 -0.990 1.00 0.00 C ATOM 1663 C GLY A 105 19.554 16.409 -2.514 1.00 0.00 C ATOM 1664 O GLY A 105 20.208 17.221 -3.167 1.00 0.00 O ATOM 0 H GLY A 105 18.860 14.939 0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 105 19.682 17.371 -0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 105 20.627 15.900 -0.713 1.00 0.00 H new TER 1668 GLY A 105