USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 856 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 THR OG1 : rot 159:sc= -0.45! USER MOD Set 1.2: A 48 ASN : amide:sc= 0 K(o=-0.45,f=-1.7!) USER MOD Set 2.1: A 23 GLN : amide:sc= -1.09! C(o=-0.22!,f=-12!) USER MOD Set 2.2: A 26 LYS NZ :NH3+ -119:sc= 0.869 (180deg=-0.08) USER MOD Set 3.1: A 17 HIS : no HD1:sc= 0.583 K(o=1.6,f=-1.3) USER MOD Set 3.2: A 86 SER OG : rot -50:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.133 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -174:sc=-0.00393 (180deg=-0.0724) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -110:sc= -0.0413 USER MOD Single : A 11 CYS SG : rot -14:sc= -1.05 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 93:sc= -0.393 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0197) USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= 0.169 (180deg=-0.0146) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 138:sc= -1.05 (180deg=-3.66!) USER MOD Single : A 34 ASN : amide:sc= -1.09! C(o=-1.1!,f=-6.6!) USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 0.468 (180deg=0.118) USER MOD Single : A 41 GLN : amide:sc= -3.83! C(o=-3.8!,f=-3.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -2.88 F(o=-4.7!,f=-2.9) USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= 0.815 (180deg=0.254) USER MOD Single : A 78 LYS NZ :NH3+ -123:sc= -0.134 (180deg=-0.638) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 155:sc= 0.831 (180deg=0.478) USER MOD Single : A 97 ASN : amide:sc= 1.3 K(o=1.3,f=-0.095) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.841 -0.817 -5.069 1.00 0.00 N ATOM 2 CA MET A 1 -16.540 -0.244 -6.402 1.00 0.00 C ATOM 3 C MET A 1 -15.120 0.298 -6.430 1.00 0.00 C ATOM 4 O MET A 1 -14.430 0.275 -5.413 1.00 0.00 O ATOM 5 CB MET A 1 -17.535 0.867 -6.756 1.00 0.00 C ATOM 6 CG MET A 1 -18.905 0.348 -7.158 1.00 0.00 C ATOM 7 SD MET A 1 -18.856 -0.597 -8.692 1.00 0.00 S ATOM 8 CE MET A 1 -20.566 -1.105 -8.827 1.00 0.00 C ATOM 0 H1 MET A 1 -17.063 -1.828 -5.168 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.015 -0.703 -4.447 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.657 -0.323 -4.655 1.00 0.00 H new ATOM 0 HA MET A 1 -16.633 -1.037 -7.144 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.644 1.532 -5.900 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.127 1.463 -7.573 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.302 -0.280 -6.360 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.590 1.188 -7.273 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.698 -1.701 -9.730 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.838 -1.701 -7.956 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.205 -0.223 -8.878 1.00 0.00 H new ATOM 20 N LYS A 2 -14.697 0.796 -7.588 1.00 0.00 N ATOM 21 CA LYS A 2 -13.313 1.212 -7.788 1.00 0.00 C ATOM 22 C LYS A 2 -12.932 2.373 -6.879 1.00 0.00 C ATOM 23 O LYS A 2 -13.383 3.502 -7.074 1.00 0.00 O ATOM 24 CB LYS A 2 -13.076 1.615 -9.245 1.00 0.00 C ATOM 25 CG LYS A 2 -13.453 0.546 -10.256 1.00 0.00 C ATOM 26 CD LYS A 2 -13.042 0.945 -11.666 1.00 0.00 C ATOM 27 CE LYS A 2 -13.656 2.273 -12.086 1.00 0.00 C ATOM 28 NZ LYS A 2 -15.142 2.242 -12.050 1.00 0.00 N ATOM 0 H LYS A 2 -15.295 0.922 -8.405 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.685 0.357 -7.536 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.648 2.518 -9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.023 1.866 -9.374 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.973 -0.395 -9.988 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.529 0.376 -10.224 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.956 1.015 -11.721 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.347 0.167 -12.366 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.295 3.063 -11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.324 2.522 -13.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.517 3.130 -12.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.486 1.442 -12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.463 2.132 -11.067 1.00 0.00 H new ATOM 42 N ARG A 3 -12.108 2.092 -5.885 1.00 0.00 N ATOM 43 CA ARG A 3 -11.599 3.127 -5.008 1.00 0.00 C ATOM 44 C ARG A 3 -10.153 3.450 -5.369 1.00 0.00 C ATOM 45 O ARG A 3 -9.518 2.713 -6.130 1.00 0.00 O ATOM 46 CB ARG A 3 -11.684 2.675 -3.551 1.00 0.00 C ATOM 47 CG ARG A 3 -11.883 3.824 -2.586 1.00 0.00 C ATOM 48 CD ARG A 3 -13.246 4.458 -2.783 1.00 0.00 C ATOM 49 NE ARG A 3 -13.377 5.711 -2.055 1.00 0.00 N ATOM 50 CZ ARG A 3 -14.318 5.955 -1.150 1.00 0.00 C ATOM 51 NH1 ARG A 3 -15.191 5.008 -0.825 1.00 0.00 N ATOM 52 NH2 ARG A 3 -14.373 7.144 -0.568 1.00 0.00 N ATOM 0 H ARG A 3 -11.777 1.152 -5.666 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.207 4.023 -5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.508 1.970 -3.443 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.771 2.141 -3.288 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.788 3.466 -1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.104 4.571 -2.736 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.412 4.637 -3.845 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.019 3.765 -2.452 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.702 6.450 -2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.139 4.092 -1.271 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.913 5.197 -0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.695 7.865 -0.816 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.093 7.338 0.128 1.00 0.00 H new ATOM 66 N LYS A 4 -9.639 4.548 -4.835 1.00 0.00 N ATOM 67 CA LYS A 4 -8.260 4.945 -5.081 1.00 0.00 C ATOM 68 C LYS A 4 -7.388 4.536 -3.897 1.00 0.00 C ATOM 69 O LYS A 4 -7.523 5.085 -2.803 1.00 0.00 O ATOM 70 CB LYS A 4 -8.168 6.458 -5.280 1.00 0.00 C ATOM 71 CG LYS A 4 -9.287 7.053 -6.122 1.00 0.00 C ATOM 72 CD LYS A 4 -9.276 6.549 -7.557 1.00 0.00 C ATOM 73 CE LYS A 4 -10.348 7.248 -8.379 1.00 0.00 C ATOM 74 NZ LYS A 4 -10.440 6.721 -9.764 1.00 0.00 N ATOM 0 H LYS A 4 -10.158 5.182 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.910 4.447 -5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.170 6.941 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.213 6.692 -5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.247 6.813 -5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.197 8.139 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.297 6.725 -8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.444 5.472 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.313 7.132 -7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.135 8.316 -8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.185 7.231 -10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.529 6.855 -10.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.671 5.707 -9.735 1.00 0.00 H new ATOM 88 N ILE A 5 -6.508 3.566 -4.104 1.00 0.00 N ATOM 89 CA ILE A 5 -5.652 3.084 -3.028 1.00 0.00 C ATOM 90 C ILE A 5 -4.175 3.251 -3.378 1.00 0.00 C ATOM 91 O ILE A 5 -3.730 2.833 -4.446 1.00 0.00 O ATOM 92 CB ILE A 5 -5.923 1.593 -2.703 1.00 0.00 C ATOM 93 CG1 ILE A 5 -7.395 1.380 -2.330 1.00 0.00 C ATOM 94 CG2 ILE A 5 -5.016 1.118 -1.573 1.00 0.00 C ATOM 95 CD1 ILE A 5 -7.739 -0.057 -1.988 1.00 0.00 C ATOM 0 H ILE A 5 -6.368 3.100 -5.000 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.889 3.687 -2.152 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.704 1.005 -3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.640 2.015 -1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.021 1.706 -3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.221 0.069 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.974 1.231 -1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.204 1.714 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.797 -0.128 -1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.528 -0.696 -2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.140 -0.382 -1.137 1.00 0.00 H new ATOM 107 N ILE A 6 -3.422 3.873 -2.481 1.00 0.00 N ATOM 108 CA ILE A 6 -1.974 3.929 -2.616 1.00 0.00 C ATOM 109 C ILE A 6 -1.332 3.099 -1.511 1.00 0.00 C ATOM 110 O ILE A 6 -1.717 3.195 -0.346 1.00 0.00 O ATOM 111 CB ILE A 6 -1.397 5.374 -2.603 1.00 0.00 C ATOM 112 CG1 ILE A 6 -1.725 6.126 -1.299 1.00 0.00 C ATOM 113 CG2 ILE A 6 -1.898 6.150 -3.814 1.00 0.00 C ATOM 114 CD1 ILE A 6 -3.144 6.654 -1.212 1.00 0.00 C ATOM 0 H ILE A 6 -3.789 4.345 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.733 3.519 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.311 5.292 -2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.548 5.458 -0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.034 6.962 -1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.488 7.160 -3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.579 5.646 -4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.987 6.200 -3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.283 7.168 -0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.324 7.351 -2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.846 5.823 -1.281 1.00 0.00 H new ATOM 126 N ALA A 7 -0.377 2.264 -1.878 1.00 0.00 N ATOM 127 CA ALA A 7 0.225 1.342 -0.932 1.00 0.00 C ATOM 128 C ALA A 7 1.732 1.272 -1.109 1.00 0.00 C ATOM 129 O ALA A 7 2.244 1.412 -2.216 1.00 0.00 O ATOM 130 CB ALA A 7 -0.392 -0.041 -1.084 1.00 0.00 C ATOM 0 H ALA A 7 -0.001 2.205 -2.825 1.00 0.00 H new ATOM 0 HA ALA A 7 0.026 1.712 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.067 -0.725 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.464 0.016 -0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.221 -0.406 -2.097 1.00 0.00 H new ATOM 136 N VAL A 8 2.439 1.065 -0.014 1.00 0.00 N ATOM 137 CA VAL A 8 3.883 0.928 -0.056 1.00 0.00 C ATOM 138 C VAL A 8 4.307 -0.410 0.527 1.00 0.00 C ATOM 139 O VAL A 8 3.944 -0.753 1.654 1.00 0.00 O ATOM 140 CB VAL A 8 4.594 2.066 0.706 1.00 0.00 C ATOM 141 CG1 VAL A 8 6.105 1.899 0.632 1.00 0.00 C ATOM 142 CG2 VAL A 8 4.179 3.421 0.155 1.00 0.00 C ATOM 0 H VAL A 8 2.035 0.988 0.919 1.00 0.00 H new ATOM 0 HA VAL A 8 4.178 0.984 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 8 4.294 2.015 1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.588 2.711 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.388 0.946 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.423 1.920 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.691 4.210 0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.446 3.482 -0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.101 3.543 0.264 1.00 0.00 H new ATOM 152 N THR A 9 5.051 -1.167 -0.257 1.00 0.00 N ATOM 153 CA THR A 9 5.589 -2.438 0.184 1.00 0.00 C ATOM 154 C THR A 9 7.098 -2.332 0.364 1.00 0.00 C ATOM 155 O THR A 9 7.802 -1.872 -0.540 1.00 0.00 O ATOM 156 CB THR A 9 5.260 -3.556 -0.821 1.00 0.00 C ATOM 157 OG1 THR A 9 5.567 -3.118 -2.151 1.00 0.00 O ATOM 158 CG2 THR A 9 3.793 -3.944 -0.738 1.00 0.00 C ATOM 0 H THR A 9 5.298 -0.918 -1.215 1.00 0.00 H new ATOM 0 HA THR A 9 5.128 -2.689 1.139 1.00 0.00 H new ATOM 0 HB THR A 9 5.864 -4.429 -0.574 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.735 -2.986 -2.652 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.585 -4.736 -1.458 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.567 -4.299 0.267 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.174 -3.076 -0.964 1.00 0.00 H new ATOM 166 N ALA A 10 7.587 -2.740 1.527 1.00 0.00 N ATOM 167 CA ALA A 10 9.004 -2.626 1.839 1.00 0.00 C ATOM 168 C ALA A 10 9.442 -3.714 2.807 1.00 0.00 C ATOM 169 O ALA A 10 8.653 -4.167 3.633 1.00 0.00 O ATOM 170 CB ALA A 10 9.296 -1.260 2.435 1.00 0.00 C ATOM 0 H ALA A 10 7.023 -3.153 2.270 1.00 0.00 H new ATOM 0 HA ALA A 10 9.565 -2.746 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.359 -1.183 2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.023 -0.485 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.716 -1.130 3.349 1.00 0.00 H new ATOM 176 N CYS A 11 10.695 -4.127 2.704 1.00 0.00 N ATOM 177 CA CYS A 11 11.258 -5.104 3.619 1.00 0.00 C ATOM 178 C CYS A 11 12.778 -4.995 3.624 1.00 0.00 C ATOM 179 O CYS A 11 13.387 -4.705 2.593 1.00 0.00 O ATOM 180 CB CYS A 11 10.821 -6.518 3.224 1.00 0.00 C ATOM 181 SG CYS A 11 11.170 -7.778 4.470 1.00 0.00 S ATOM 0 H CYS A 11 11.345 -3.797 1.990 1.00 0.00 H new ATOM 0 HA CYS A 11 10.889 -4.901 4.624 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.750 -6.511 3.021 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.320 -6.794 2.295 1.00 0.00 H new ATOM 0 HG CYS A 11 11.999 -7.300 5.350 1.00 0.00 H new ATOM 187 N ALA A 12 13.384 -5.209 4.785 1.00 0.00 N ATOM 188 CA ALA A 12 14.826 -5.087 4.924 1.00 0.00 C ATOM 189 C ALA A 12 15.495 -6.456 4.954 1.00 0.00 C ATOM 190 O ALA A 12 16.520 -6.670 4.306 1.00 0.00 O ATOM 191 CB ALA A 12 15.171 -4.307 6.184 1.00 0.00 C ATOM 0 H ALA A 12 12.897 -5.468 5.643 1.00 0.00 H new ATOM 0 HA ALA A 12 15.202 -4.545 4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.254 -4.224 6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.734 -3.310 6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 12 14.773 -4.828 7.055 1.00 0.00 H new ATOM 197 N THR A 13 14.920 -7.381 5.710 1.00 0.00 N ATOM 198 CA THR A 13 15.498 -8.710 5.832 1.00 0.00 C ATOM 199 C THR A 13 14.918 -9.663 4.783 1.00 0.00 C ATOM 200 O THR A 13 15.646 -10.175 3.933 1.00 0.00 O ATOM 201 CB THR A 13 15.276 -9.284 7.244 1.00 0.00 C ATOM 202 OG1 THR A 13 15.641 -8.305 8.228 1.00 0.00 O ATOM 203 CG2 THR A 13 16.102 -10.544 7.452 1.00 0.00 C ATOM 0 H THR A 13 14.062 -7.237 6.243 1.00 0.00 H new ATOM 0 HA THR A 13 16.570 -8.615 5.660 1.00 0.00 H new ATOM 0 HB THR A 13 14.221 -9.538 7.350 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.497 -8.673 9.125 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.929 -10.931 8.456 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.811 -11.295 6.718 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.160 -10.310 7.331 1.00 0.00 H new ATOM 211 N GLY A 14 13.611 -9.891 4.839 1.00 0.00 N ATOM 212 CA GLY A 14 12.962 -10.749 3.862 1.00 0.00 C ATOM 213 C GLY A 14 12.663 -10.011 2.571 1.00 0.00 C ATOM 214 O GLY A 14 11.501 -9.787 2.234 1.00 0.00 O ATOM 0 H GLY A 14 12.987 -9.497 5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.601 -11.606 3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.034 -11.139 4.281 1.00 0.00 H new ATOM 218 N VAL A 15 13.720 -9.653 1.847 1.00 0.00 N ATOM 219 CA VAL A 15 13.622 -8.824 0.644 1.00 0.00 C ATOM 220 C VAL A 15 12.571 -9.344 -0.344 1.00 0.00 C ATOM 221 O VAL A 15 11.853 -8.556 -0.965 1.00 0.00 O ATOM 222 CB VAL A 15 14.991 -8.738 -0.068 1.00 0.00 C ATOM 223 CG1 VAL A 15 14.929 -7.808 -1.269 1.00 0.00 C ATOM 224 CG2 VAL A 15 16.074 -8.287 0.902 1.00 0.00 C ATOM 0 H VAL A 15 14.674 -9.930 2.077 1.00 0.00 H new ATOM 0 HA VAL A 15 13.310 -7.833 0.975 1.00 0.00 H new ATOM 0 HB VAL A 15 15.243 -9.735 -0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 15 15.907 -7.768 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.191 -8.180 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 15 14.645 -6.808 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 15 17.030 -8.233 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.821 -7.304 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 15 16.148 -9.001 1.722 1.00 0.00 H new ATOM 234 N ALA A 16 12.461 -10.663 -0.462 1.00 0.00 N ATOM 235 CA ALA A 16 11.531 -11.279 -1.409 1.00 0.00 C ATOM 236 C ALA A 16 10.076 -10.913 -1.104 1.00 0.00 C ATOM 237 O ALA A 16 9.224 -10.919 -1.992 1.00 0.00 O ATOM 238 CB ALA A 16 11.701 -12.788 -1.399 1.00 0.00 C ATOM 0 H ALA A 16 13.004 -11.330 0.086 1.00 0.00 H new ATOM 0 HA ALA A 16 11.767 -10.891 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.005 -13.237 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.722 -13.041 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.498 -13.170 -0.399 1.00 0.00 H new ATOM 244 N HIS A 17 9.803 -10.575 0.152 1.00 0.00 N ATOM 245 CA HIS A 17 8.446 -10.243 0.583 1.00 0.00 C ATOM 246 C HIS A 17 7.984 -8.951 -0.074 1.00 0.00 C ATOM 247 O HIS A 17 6.811 -8.806 -0.414 1.00 0.00 O ATOM 248 CB HIS A 17 8.364 -10.108 2.111 1.00 0.00 C ATOM 249 CG HIS A 17 8.614 -11.387 2.859 1.00 0.00 C ATOM 250 ND1 HIS A 17 8.145 -11.623 4.136 1.00 0.00 N ATOM 251 CD2 HIS A 17 9.306 -12.497 2.509 1.00 0.00 C ATOM 252 CE1 HIS A 17 8.538 -12.819 4.532 1.00 0.00 C ATOM 253 NE2 HIS A 17 9.247 -13.371 3.565 1.00 0.00 N ATOM 0 H HIS A 17 10.503 -10.523 0.892 1.00 0.00 H new ATOM 0 HA HIS A 17 7.791 -11.058 0.275 1.00 0.00 H new ATOM 0 HB2 HIS A 17 9.089 -9.362 2.438 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.377 -9.731 2.378 1.00 0.00 H new ATOM 0 HD2 HIS A 17 9.812 -12.664 1.570 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.317 -13.271 5.488 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.679 -14.294 3.597 1.00 0.00 H new ATOM 262 N THR A 18 8.924 -8.033 -0.270 1.00 0.00 N ATOM 263 CA THR A 18 8.640 -6.740 -0.876 1.00 0.00 C ATOM 264 C THR A 18 8.016 -6.903 -2.259 1.00 0.00 C ATOM 265 O THR A 18 6.987 -6.304 -2.570 1.00 0.00 O ATOM 266 CB THR A 18 9.938 -5.917 -1.017 1.00 0.00 C ATOM 267 OG1 THR A 18 10.675 -5.954 0.208 1.00 0.00 O ATOM 268 CG2 THR A 18 9.640 -4.474 -1.393 1.00 0.00 C ATOM 0 H THR A 18 9.902 -8.165 -0.013 1.00 0.00 H new ATOM 0 HA THR A 18 7.937 -6.222 -0.224 1.00 0.00 H new ATOM 0 HB THR A 18 10.532 -6.361 -1.815 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.328 -6.684 0.175 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.575 -3.921 -1.484 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.109 -4.448 -2.344 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.022 -4.017 -0.620 1.00 0.00 H new ATOM 276 N TYR A 19 8.631 -7.751 -3.070 1.00 0.00 N ATOM 277 CA TYR A 19 8.246 -7.886 -4.466 1.00 0.00 C ATOM 278 C TYR A 19 7.023 -8.781 -4.611 1.00 0.00 C ATOM 279 O TYR A 19 6.314 -8.724 -5.617 1.00 0.00 O ATOM 280 CB TYR A 19 9.421 -8.436 -5.273 1.00 0.00 C ATOM 281 CG TYR A 19 10.678 -7.611 -5.112 1.00 0.00 C ATOM 282 CD1 TYR A 19 10.825 -6.398 -5.771 1.00 0.00 C ATOM 283 CD2 TYR A 19 11.708 -8.034 -4.281 1.00 0.00 C ATOM 284 CE1 TYR A 19 11.964 -5.634 -5.611 1.00 0.00 C ATOM 285 CE2 TYR A 19 12.848 -7.272 -4.114 1.00 0.00 C ATOM 286 CZ TYR A 19 12.970 -6.074 -4.782 1.00 0.00 C ATOM 287 OH TYR A 19 14.101 -5.309 -4.613 1.00 0.00 O ATOM 0 H TYR A 19 9.400 -8.357 -2.784 1.00 0.00 H new ATOM 0 HA TYR A 19 7.981 -6.902 -4.853 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.622 -9.461 -4.962 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.147 -8.471 -6.327 1.00 0.00 H new ATOM 0 HD1 TYR A 19 10.036 -6.046 -6.419 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.616 -8.974 -3.757 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.065 -4.695 -6.135 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.639 -7.614 -3.463 1.00 0.00 H new ATOM 0 HH TYR A 19 14.713 -5.761 -3.995 1.00 0.00 H new ATOM 297 N MET A 20 6.778 -9.607 -3.605 1.00 0.00 N ATOM 298 CA MET A 20 5.609 -10.471 -3.611 1.00 0.00 C ATOM 299 C MET A 20 4.368 -9.702 -3.172 1.00 0.00 C ATOM 300 O MET A 20 3.329 -9.754 -3.833 1.00 0.00 O ATOM 301 CB MET A 20 5.811 -11.679 -2.697 1.00 0.00 C ATOM 302 CG MET A 20 4.643 -12.651 -2.733 1.00 0.00 C ATOM 303 SD MET A 20 4.433 -13.408 -4.356 1.00 0.00 S ATOM 304 CE MET A 20 2.997 -14.435 -4.060 1.00 0.00 C ATOM 0 H MET A 20 7.370 -9.697 -2.779 1.00 0.00 H new ATOM 0 HA MET A 20 5.469 -10.825 -4.632 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.721 -12.202 -2.991 1.00 0.00 H new ATOM 0 HB3 MET A 20 5.958 -11.333 -1.674 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.799 -13.431 -1.988 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.728 -12.126 -2.458 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.739 -14.971 -4.973 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.219 -15.151 -3.269 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.158 -13.809 -3.758 1.00 0.00 H new ATOM 314 N ALA A 21 4.490 -8.981 -2.060 1.00 0.00 N ATOM 315 CA ALA A 21 3.361 -8.260 -1.478 1.00 0.00 C ATOM 316 C ALA A 21 2.806 -7.218 -2.440 1.00 0.00 C ATOM 317 O ALA A 21 1.596 -7.009 -2.505 1.00 0.00 O ATOM 318 CB ALA A 21 3.771 -7.609 -0.166 1.00 0.00 C ATOM 0 H ALA A 21 5.363 -8.880 -1.542 1.00 0.00 H new ATOM 0 HA ALA A 21 2.569 -8.983 -1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.920 -7.075 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.102 -8.377 0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.586 -6.908 -0.347 1.00 0.00 H new ATOM 324 N ALA A 22 3.697 -6.579 -3.192 1.00 0.00 N ATOM 325 CA ALA A 22 3.301 -5.555 -4.154 1.00 0.00 C ATOM 326 C ALA A 22 2.294 -6.101 -5.163 1.00 0.00 C ATOM 327 O ALA A 22 1.277 -5.466 -5.447 1.00 0.00 O ATOM 328 CB ALA A 22 4.524 -5.012 -4.881 1.00 0.00 C ATOM 0 H ALA A 22 4.701 -6.753 -3.154 1.00 0.00 H new ATOM 0 HA ALA A 22 2.823 -4.746 -3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.214 -4.249 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.212 -4.574 -4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.023 -5.824 -5.411 1.00 0.00 H new ATOM 334 N GLN A 23 2.579 -7.281 -5.698 1.00 0.00 N ATOM 335 CA GLN A 23 1.716 -7.888 -6.704 1.00 0.00 C ATOM 336 C GLN A 23 0.512 -8.567 -6.065 1.00 0.00 C ATOM 337 O GLN A 23 -0.572 -8.601 -6.650 1.00 0.00 O ATOM 338 CB GLN A 23 2.500 -8.890 -7.549 1.00 0.00 C ATOM 339 CG GLN A 23 3.674 -8.277 -8.305 1.00 0.00 C ATOM 340 CD GLN A 23 3.259 -7.214 -9.311 1.00 0.00 C ATOM 341 OE1 GLN A 23 2.285 -6.484 -9.112 1.00 0.00 O ATOM 342 NE2 GLN A 23 3.982 -7.137 -10.416 1.00 0.00 N ATOM 0 H GLN A 23 3.399 -7.836 -5.453 1.00 0.00 H new ATOM 0 HA GLN A 23 1.350 -7.091 -7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.872 -9.684 -6.901 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.822 -9.355 -8.265 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.367 -7.837 -7.588 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.213 -9.068 -8.826 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.781 -7.757 -10.547 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.740 -6.458 -11.137 1.00 0.00 H new ATOM 351 N ALA A 24 0.704 -9.102 -4.866 1.00 0.00 N ATOM 352 CA ALA A 24 -0.385 -9.736 -4.135 1.00 0.00 C ATOM 353 C ALA A 24 -1.466 -8.715 -3.813 1.00 0.00 C ATOM 354 O ALA A 24 -2.659 -8.982 -3.974 1.00 0.00 O ATOM 355 CB ALA A 24 0.131 -10.391 -2.863 1.00 0.00 C ATOM 0 H ALA A 24 1.601 -9.110 -4.380 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.818 -10.514 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.698 -10.858 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.872 -11.149 -3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.590 -9.636 -2.225 1.00 0.00 H new ATOM 361 N LEU A 25 -1.035 -7.536 -3.373 1.00 0.00 N ATOM 362 CA LEU A 25 -1.953 -6.430 -3.118 1.00 0.00 C ATOM 363 C LEU A 25 -2.697 -6.039 -4.391 1.00 0.00 C ATOM 364 O LEU A 25 -3.888 -5.731 -4.352 1.00 0.00 O ATOM 365 CB LEU A 25 -1.204 -5.215 -2.559 1.00 0.00 C ATOM 366 CG LEU A 25 -0.759 -5.340 -1.102 1.00 0.00 C ATOM 367 CD1 LEU A 25 0.016 -4.104 -0.673 1.00 0.00 C ATOM 368 CD2 LEU A 25 -1.964 -5.552 -0.199 1.00 0.00 C ATOM 0 H LEU A 25 -0.055 -7.322 -3.186 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.678 -6.765 -2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.324 -5.034 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.845 -4.338 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.102 -6.205 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.325 -4.211 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.898 -3.991 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.618 -3.223 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.632 -5.639 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.642 -4.704 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.482 -6.465 -0.492 1.00 0.00 H new ATOM 380 N LYS A 26 -1.992 -6.061 -5.519 1.00 0.00 N ATOM 381 CA LYS A 26 -2.609 -5.754 -6.804 1.00 0.00 C ATOM 382 C LYS A 26 -3.707 -6.755 -7.133 1.00 0.00 C ATOM 383 O LYS A 26 -4.823 -6.368 -7.490 1.00 0.00 O ATOM 384 CB LYS A 26 -1.579 -5.753 -7.933 1.00 0.00 C ATOM 385 CG LYS A 26 -0.595 -4.600 -7.875 1.00 0.00 C ATOM 386 CD LYS A 26 -0.413 -3.972 -9.247 1.00 0.00 C ATOM 387 CE LYS A 26 0.731 -2.975 -9.262 1.00 0.00 C ATOM 388 NZ LYS A 26 2.055 -3.648 -9.191 1.00 0.00 N ATOM 0 H LYS A 26 -0.999 -6.287 -5.569 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.041 -4.757 -6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.025 -6.691 -7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.103 -5.721 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.951 -3.848 -7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.366 -4.955 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.224 -4.754 -9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.335 -3.472 -9.543 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.677 -2.375 -10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.626 -2.290 -8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.555 -3.341 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.919 -4.679 -9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.618 -3.396 -10.028 1.00 0.00 H new ATOM 402 N LYS A 27 -3.387 -8.037 -7.004 1.00 0.00 N ATOM 403 CA LYS A 27 -4.335 -9.098 -7.318 1.00 0.00 C ATOM 404 C LYS A 27 -5.582 -8.977 -6.450 1.00 0.00 C ATOM 405 O LYS A 27 -6.704 -9.104 -6.940 1.00 0.00 O ATOM 406 CB LYS A 27 -3.692 -10.473 -7.121 1.00 0.00 C ATOM 407 CG LYS A 27 -3.828 -11.381 -8.333 1.00 0.00 C ATOM 408 CD LYS A 27 -3.081 -10.813 -9.530 1.00 0.00 C ATOM 409 CE LYS A 27 -3.340 -11.618 -10.793 1.00 0.00 C ATOM 410 NZ LYS A 27 -2.880 -13.027 -10.675 1.00 0.00 N ATOM 0 H LYS A 27 -2.477 -8.367 -6.684 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.624 -8.994 -8.364 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.635 -10.342 -6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.148 -10.959 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.440 -12.371 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.882 -11.504 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.385 -9.778 -9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.012 -10.802 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.407 -11.605 -11.016 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.833 -11.143 -11.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.017 -13.514 -11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.871 -13.043 -10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.430 -13.511 -9.936 1.00 0.00 H new ATOM 424 N GLY A 28 -5.374 -8.708 -5.165 1.00 0.00 N ATOM 425 CA GLY A 28 -6.487 -8.529 -4.252 1.00 0.00 C ATOM 426 C GLY A 28 -7.310 -7.301 -4.585 1.00 0.00 C ATOM 427 O GLY A 28 -8.542 -7.339 -4.554 1.00 0.00 O ATOM 0 H GLY A 28 -4.452 -8.611 -4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.126 -9.412 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.109 -8.445 -3.233 1.00 0.00 H new ATOM 431 N ALA A 29 -6.632 -6.212 -4.923 1.00 0.00 N ATOM 432 CA ALA A 29 -7.305 -4.966 -5.264 1.00 0.00 C ATOM 433 C ALA A 29 -8.140 -5.129 -6.524 1.00 0.00 C ATOM 434 O ALA A 29 -9.270 -4.652 -6.598 1.00 0.00 O ATOM 435 CB ALA A 29 -6.296 -3.844 -5.439 1.00 0.00 C ATOM 0 H ALA A 29 -5.614 -6.167 -4.968 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.973 -4.707 -4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.818 -2.922 -5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.743 -3.704 -4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.602 -4.101 -6.239 1.00 0.00 H new ATOM 441 N LYS A 30 -7.578 -5.803 -7.514 1.00 0.00 N ATOM 442 CA LYS A 30 -8.285 -6.056 -8.764 1.00 0.00 C ATOM 443 C LYS A 30 -9.422 -7.053 -8.559 1.00 0.00 C ATOM 444 O LYS A 30 -10.437 -6.997 -9.251 1.00 0.00 O ATOM 445 CB LYS A 30 -7.318 -6.548 -9.846 1.00 0.00 C ATOM 446 CG LYS A 30 -6.624 -5.427 -10.612 1.00 0.00 C ATOM 447 CD LYS A 30 -5.835 -4.507 -9.693 1.00 0.00 C ATOM 448 CE LYS A 30 -5.195 -3.361 -10.458 1.00 0.00 C ATOM 449 NZ LYS A 30 -6.207 -2.460 -11.071 1.00 0.00 N ATOM 0 H LYS A 30 -6.633 -6.186 -7.479 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.721 -5.115 -9.099 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.561 -7.180 -9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.866 -7.172 -10.552 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.953 -5.858 -11.355 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.369 -4.845 -11.155 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.496 -4.107 -8.924 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.061 -5.080 -9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.560 -2.786 -9.784 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.549 -3.763 -11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.742 -1.592 -11.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.659 -2.942 -11.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.928 -2.216 -10.363 1.00 0.00 H new ATOM 463 N LYS A 31 -9.251 -7.952 -7.596 1.00 0.00 N ATOM 464 CA LYS A 31 -10.296 -8.906 -7.247 1.00 0.00 C ATOM 465 C LYS A 31 -11.515 -8.175 -6.697 1.00 0.00 C ATOM 466 O LYS A 31 -12.653 -8.490 -7.042 1.00 0.00 O ATOM 467 CB LYS A 31 -9.779 -9.905 -6.212 1.00 0.00 C ATOM 468 CG LYS A 31 -10.793 -10.973 -5.828 1.00 0.00 C ATOM 469 CD LYS A 31 -11.219 -11.807 -7.027 1.00 0.00 C ATOM 470 CE LYS A 31 -10.031 -12.492 -7.680 1.00 0.00 C ATOM 471 NZ LYS A 31 -10.436 -13.327 -8.838 1.00 0.00 N ATOM 0 H LYS A 31 -8.398 -8.040 -7.043 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.584 -9.448 -8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.885 -10.390 -6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.480 -9.362 -5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.364 -11.624 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.669 -10.499 -5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.944 -12.557 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.718 -11.169 -7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.315 -11.739 -8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.523 -13.115 -6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.595 -13.776 -9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.100 -14.062 -8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.898 -12.729 -9.553 1.00 0.00 H new ATOM 485 N MET A 32 -11.263 -7.199 -5.835 1.00 0.00 N ATOM 486 CA MET A 32 -12.329 -6.379 -5.276 1.00 0.00 C ATOM 487 C MET A 32 -12.858 -5.424 -6.344 1.00 0.00 C ATOM 488 O MET A 32 -14.053 -5.129 -6.401 1.00 0.00 O ATOM 489 CB MET A 32 -11.818 -5.585 -4.068 1.00 0.00 C ATOM 490 CG MET A 32 -11.205 -6.428 -2.951 1.00 0.00 C ATOM 491 SD MET A 32 -12.409 -7.406 -2.024 1.00 0.00 S ATOM 492 CE MET A 32 -12.659 -8.801 -3.118 1.00 0.00 C ATOM 0 H MET A 32 -10.328 -6.956 -5.507 1.00 0.00 H new ATOM 0 HA MET A 32 -13.137 -7.031 -4.944 1.00 0.00 H new ATOM 0 HB2 MET A 32 -11.072 -4.869 -4.413 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.646 -5.009 -3.655 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.462 -7.099 -3.382 1.00 0.00 H new ATOM 0 HG3 MET A 32 -10.678 -5.770 -2.260 1.00 0.00 H new ATOM 0 HE1 MET A 32 -12.695 -9.720 -2.533 1.00 0.00 H new ATOM 0 HE2 MET A 32 -13.598 -8.677 -3.657 1.00 0.00 H new ATOM 0 HE3 MET A 32 -11.836 -8.856 -3.831 1.00 0.00 H new ATOM 502 N GLY A 33 -11.952 -4.964 -7.201 1.00 0.00 N ATOM 503 CA GLY A 33 -12.322 -4.055 -8.270 1.00 0.00 C ATOM 504 C GLY A 33 -11.910 -2.628 -7.973 1.00 0.00 C ATOM 505 O GLY A 33 -12.738 -1.725 -7.985 1.00 0.00 O ATOM 0 H GLY A 33 -10.962 -5.207 -7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.855 -4.380 -9.200 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.400 -4.096 -8.423 1.00 0.00 H new ATOM 509 N ASN A 34 -10.624 -2.426 -7.701 1.00 0.00 N ATOM 510 CA ASN A 34 -10.119 -1.108 -7.319 1.00 0.00 C ATOM 511 C ASN A 34 -8.857 -0.748 -8.095 1.00 0.00 C ATOM 512 O ASN A 34 -8.276 -1.586 -8.796 1.00 0.00 O ATOM 513 CB ASN A 34 -9.813 -1.067 -5.818 1.00 0.00 C ATOM 514 CG ASN A 34 -11.047 -1.267 -4.960 1.00 0.00 C ATOM 515 OD1 ASN A 34 -11.719 -0.311 -4.591 1.00 0.00 O ATOM 516 ND2 ASN A 34 -11.350 -2.512 -4.636 1.00 0.00 N ATOM 0 H ASN A 34 -9.912 -3.156 -7.737 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.896 -0.381 -7.557 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.082 -1.839 -5.580 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.356 -0.109 -5.571 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.169 -2.704 -4.059 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.765 -3.281 -4.963 1.00 0.00 H new ATOM 523 N LEU A 35 -8.440 0.504 -7.962 1.00 0.00 N ATOM 524 CA LEU A 35 -7.194 0.976 -8.553 1.00 0.00 C ATOM 525 C LEU A 35 -6.163 1.163 -7.453 1.00 0.00 C ATOM 526 O LEU A 35 -6.406 1.889 -6.486 1.00 0.00 O ATOM 527 CB LEU A 35 -7.390 2.303 -9.305 1.00 0.00 C ATOM 528 CG LEU A 35 -8.254 2.249 -10.574 1.00 0.00 C ATOM 529 CD1 LEU A 35 -7.845 1.081 -11.462 1.00 0.00 C ATOM 530 CD2 LEU A 35 -9.734 2.180 -10.226 1.00 0.00 C ATOM 0 H LEU A 35 -8.952 1.218 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.853 0.232 -9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.837 3.022 -8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.408 2.690 -9.577 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.086 3.170 -11.133 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.472 1.065 -12.354 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.801 1.194 -11.754 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.969 0.147 -10.914 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.322 2.143 -11.143 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.927 1.285 -9.634 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.014 3.063 -9.651 1.00 0.00 H new ATOM 542 N ILE A 36 -5.019 0.518 -7.593 1.00 0.00 N ATOM 543 CA ILE A 36 -4.018 0.547 -6.548 1.00 0.00 C ATOM 544 C ILE A 36 -2.651 0.949 -7.097 1.00 0.00 C ATOM 545 O ILE A 36 -2.236 0.508 -8.173 1.00 0.00 O ATOM 546 CB ILE A 36 -3.928 -0.817 -5.822 1.00 0.00 C ATOM 547 CG1 ILE A 36 -3.011 -0.714 -4.602 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.445 -1.908 -6.772 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.963 -1.977 -3.767 1.00 0.00 C ATOM 0 H ILE A 36 -4.763 -0.028 -8.415 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.327 1.301 -5.824 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.927 -1.088 -5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.002 -0.472 -4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.346 0.113 -3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.390 -2.857 -6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.142 -2.000 -7.605 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.457 -1.648 -7.153 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.293 -1.828 -2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.963 -2.210 -3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.598 -2.803 -4.377 1.00 0.00 H new ATOM 561 N LYS A 37 -1.980 1.815 -6.361 1.00 0.00 N ATOM 562 CA LYS A 37 -0.631 2.239 -6.691 1.00 0.00 C ATOM 563 C LYS A 37 0.328 1.798 -5.604 1.00 0.00 C ATOM 564 O LYS A 37 0.328 2.352 -4.507 1.00 0.00 O ATOM 565 CB LYS A 37 -0.566 3.760 -6.854 1.00 0.00 C ATOM 566 CG LYS A 37 -1.145 4.266 -8.163 1.00 0.00 C ATOM 567 CD LYS A 37 -0.319 3.793 -9.348 1.00 0.00 C ATOM 568 CE LYS A 37 -0.797 4.420 -10.647 1.00 0.00 C ATOM 569 NZ LYS A 37 -0.496 5.873 -10.711 1.00 0.00 N ATOM 0 H LYS A 37 -2.355 2.245 -5.516 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.345 1.777 -7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.101 4.227 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.474 4.079 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.172 3.916 -8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.179 5.355 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.729 4.045 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.378 2.707 -9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.323 3.915 -11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.872 4.268 -10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.666 6.221 -11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.110 6.384 -10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.500 6.033 -10.456 1.00 0.00 H new ATOM 583 N VAL A 38 1.121 0.782 -5.899 1.00 0.00 N ATOM 584 CA VAL A 38 2.078 0.276 -4.939 1.00 0.00 C ATOM 585 C VAL A 38 3.486 0.761 -5.249 1.00 0.00 C ATOM 586 O VAL A 38 3.869 0.911 -6.410 1.00 0.00 O ATOM 587 CB VAL A 38 2.073 -1.264 -4.870 1.00 0.00 C ATOM 588 CG1 VAL A 38 0.781 -1.772 -4.255 1.00 0.00 C ATOM 589 CG2 VAL A 38 2.281 -1.873 -6.245 1.00 0.00 C ATOM 0 H VAL A 38 1.119 0.294 -6.795 1.00 0.00 H new ATOM 0 HA VAL A 38 1.770 0.666 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 38 2.903 -1.571 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.800 -2.861 -4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.678 -1.375 -3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.064 -1.445 -4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.273 -2.960 -6.166 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.480 -1.551 -6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.240 -1.545 -6.647 1.00 0.00 H new ATOM 599 N GLU A 39 4.232 1.031 -4.197 1.00 0.00 N ATOM 600 CA GLU A 39 5.632 1.397 -4.310 1.00 0.00 C ATOM 601 C GLU A 39 6.494 0.282 -3.734 1.00 0.00 C ATOM 602 O GLU A 39 6.218 -0.217 -2.640 1.00 0.00 O ATOM 603 CB GLU A 39 5.900 2.709 -3.566 1.00 0.00 C ATOM 604 CG GLU A 39 7.346 3.172 -3.640 1.00 0.00 C ATOM 605 CD GLU A 39 7.581 4.474 -2.901 1.00 0.00 C ATOM 606 OE1 GLU A 39 7.182 5.533 -3.426 1.00 0.00 O ATOM 607 OE2 GLU A 39 8.187 4.446 -1.811 1.00 0.00 O ATOM 0 H GLU A 39 3.886 1.003 -3.238 1.00 0.00 H new ATOM 0 HA GLU A 39 5.881 1.540 -5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.258 3.487 -3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.621 2.586 -2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.992 2.400 -3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.631 3.295 -4.685 1.00 0.00 H new ATOM 614 N THR A 40 7.518 -0.130 -4.468 1.00 0.00 N ATOM 615 CA THR A 40 8.420 -1.151 -3.974 1.00 0.00 C ATOM 616 C THR A 40 9.672 -0.513 -3.391 1.00 0.00 C ATOM 617 O THR A 40 10.539 -0.016 -4.118 1.00 0.00 O ATOM 618 CB THR A 40 8.807 -2.169 -5.071 1.00 0.00 C ATOM 619 OG1 THR A 40 9.315 -1.496 -6.227 1.00 0.00 O ATOM 620 CG2 THR A 40 7.613 -3.025 -5.465 1.00 0.00 C ATOM 0 H THR A 40 7.741 0.225 -5.398 1.00 0.00 H new ATOM 0 HA THR A 40 7.892 -1.696 -3.192 1.00 0.00 H new ATOM 0 HB THR A 40 9.584 -2.816 -4.663 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.849 -2.121 -6.761 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.912 -3.733 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.253 -3.571 -4.593 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.817 -2.386 -5.847 1.00 0.00 H new ATOM 628 N GLN A 41 9.736 -0.487 -2.073 1.00 0.00 N ATOM 629 CA GLN A 41 10.900 0.019 -1.379 1.00 0.00 C ATOM 630 C GLN A 41 11.869 -1.129 -1.148 1.00 0.00 C ATOM 631 O GLN A 41 11.842 -1.787 -0.102 1.00 0.00 O ATOM 632 CB GLN A 41 10.478 0.661 -0.056 1.00 0.00 C ATOM 633 CG GLN A 41 11.575 1.429 0.659 1.00 0.00 C ATOM 634 CD GLN A 41 12.120 2.569 -0.170 1.00 0.00 C ATOM 635 OE1 GLN A 41 13.121 2.422 -0.867 1.00 0.00 O ATOM 636 NE2 GLN A 41 11.438 3.701 -0.132 1.00 0.00 N ATOM 0 H GLN A 41 8.989 -0.813 -1.460 1.00 0.00 H new ATOM 0 HA GLN A 41 11.394 0.784 -1.978 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.645 1.338 -0.247 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.108 -0.120 0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.186 1.821 1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.387 0.747 0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.612 3.779 0.461 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.738 4.496 -0.696 1.00 0.00 H new ATOM 645 N GLY A 42 12.692 -1.392 -2.155 1.00 0.00 N ATOM 646 CA GLY A 42 13.601 -2.518 -2.107 1.00 0.00 C ATOM 647 C GLY A 42 14.836 -2.215 -1.294 1.00 0.00 C ATOM 648 O GLY A 42 15.955 -2.289 -1.804 1.00 0.00 O ATOM 0 H GLY A 42 12.745 -0.839 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.088 -3.380 -1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.893 -2.792 -3.121 1.00 0.00 H new ATOM 652 N ALA A 43 14.619 -1.858 -0.031 1.00 0.00 N ATOM 653 CA ALA A 43 15.696 -1.551 0.902 1.00 0.00 C ATOM 654 C ALA A 43 16.494 -0.342 0.428 1.00 0.00 C ATOM 655 O ALA A 43 17.500 -0.480 -0.275 1.00 0.00 O ATOM 656 CB ALA A 43 16.603 -2.759 1.108 1.00 0.00 C ATOM 0 H ALA A 43 13.687 -1.774 0.374 1.00 0.00 H new ATOM 0 HA ALA A 43 15.248 -1.304 1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.398 -2.502 1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.020 -3.588 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.041 -3.052 0.154 1.00 0.00 H new ATOM 662 N THR A 44 16.000 0.845 0.784 1.00 0.00 N ATOM 663 CA THR A 44 16.621 2.118 0.409 1.00 0.00 C ATOM 664 C THR A 44 16.358 2.476 -1.064 1.00 0.00 C ATOM 665 O THR A 44 16.156 3.647 -1.400 1.00 0.00 O ATOM 666 CB THR A 44 18.143 2.108 0.682 1.00 0.00 C ATOM 667 OG1 THR A 44 18.392 1.687 2.032 1.00 0.00 O ATOM 668 CG2 THR A 44 18.749 3.488 0.464 1.00 0.00 C ATOM 0 H THR A 44 15.154 0.952 1.343 1.00 0.00 H new ATOM 0 HA THR A 44 16.158 2.882 1.033 1.00 0.00 H new ATOM 0 HB THR A 44 18.607 1.411 -0.016 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.357 1.681 2.200 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.820 3.451 0.663 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.582 3.800 -0.567 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.279 4.203 1.140 1.00 0.00 H new ATOM 676 N GLY A 45 16.335 1.467 -1.927 1.00 0.00 N ATOM 677 CA GLY A 45 16.171 1.701 -3.345 1.00 0.00 C ATOM 678 C GLY A 45 14.719 1.671 -3.770 1.00 0.00 C ATOM 679 O GLY A 45 14.072 0.623 -3.727 1.00 0.00 O ATOM 0 H GLY A 45 16.428 0.486 -1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.603 2.668 -3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.726 0.946 -3.902 1.00 0.00 H new ATOM 683 N ILE A 46 14.214 2.818 -4.188 1.00 0.00 N ATOM 684 CA ILE A 46 12.823 2.948 -4.587 1.00 0.00 C ATOM 685 C ILE A 46 12.683 2.668 -6.079 1.00 0.00 C ATOM 686 O ILE A 46 13.425 3.231 -6.886 1.00 0.00 O ATOM 687 CB ILE A 46 12.302 4.371 -4.305 1.00 0.00 C ATOM 688 CG1 ILE A 46 12.748 4.841 -2.917 1.00 0.00 C ATOM 689 CG2 ILE A 46 10.788 4.401 -4.418 1.00 0.00 C ATOM 690 CD1 ILE A 46 12.407 6.287 -2.621 1.00 0.00 C ATOM 0 H ILE A 46 14.752 3.681 -4.260 1.00 0.00 H new ATOM 0 HA ILE A 46 12.240 2.229 -4.011 1.00 0.00 H new ATOM 0 HB ILE A 46 12.722 5.052 -5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.283 4.206 -2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 46 13.826 4.706 -2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.428 5.410 -4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.492 4.104 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.355 3.711 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.754 6.545 -1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.894 6.933 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.327 6.425 -2.677 1.00 0.00 H new ATOM 702 N GLU A 47 11.744 1.809 -6.456 1.00 0.00 N ATOM 703 CA GLU A 47 11.573 1.473 -7.865 1.00 0.00 C ATOM 704 C GLU A 47 10.375 2.196 -8.470 1.00 0.00 C ATOM 705 O GLU A 47 10.471 2.764 -9.559 1.00 0.00 O ATOM 706 CB GLU A 47 11.417 -0.032 -8.038 1.00 0.00 C ATOM 707 CG GLU A 47 12.559 -0.830 -7.436 1.00 0.00 C ATOM 708 CD GLU A 47 12.401 -2.313 -7.667 1.00 0.00 C ATOM 709 OE1 GLU A 47 11.351 -2.863 -7.282 1.00 0.00 O ATOM 710 OE2 GLU A 47 13.323 -2.928 -8.248 1.00 0.00 O ATOM 0 H GLU A 47 11.100 1.340 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 47 12.468 1.802 -8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.481 -0.348 -7.578 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.343 -0.262 -9.101 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.502 -0.495 -7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.612 -0.634 -6.365 1.00 0.00 H new ATOM 717 N ASN A 48 9.245 2.168 -7.776 1.00 0.00 N ATOM 718 CA ASN A 48 8.040 2.824 -8.272 1.00 0.00 C ATOM 719 C ASN A 48 8.073 4.314 -7.982 1.00 0.00 C ATOM 720 O ASN A 48 8.056 5.125 -8.905 1.00 0.00 O ATOM 721 CB ASN A 48 6.782 2.208 -7.657 1.00 0.00 C ATOM 722 CG ASN A 48 6.469 0.841 -8.224 1.00 0.00 C ATOM 723 OD1 ASN A 48 6.955 -0.174 -7.729 1.00 0.00 O ATOM 724 ND2 ASN A 48 5.642 0.801 -9.258 1.00 0.00 N ATOM 0 H ASN A 48 9.136 1.702 -6.875 1.00 0.00 H new ATOM 0 HA ASN A 48 8.011 2.675 -9.351 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.911 2.129 -6.577 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.935 2.872 -7.829 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.387 -0.095 -9.673 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.260 1.667 -9.639 1.00 0.00 H new ATOM 731 N GLU A 49 8.133 4.656 -6.696 1.00 0.00 N ATOM 732 CA GLU A 49 8.111 6.046 -6.249 1.00 0.00 C ATOM 733 C GLU A 49 6.761 6.685 -6.552 1.00 0.00 C ATOM 734 O GLU A 49 6.478 7.082 -7.684 1.00 0.00 O ATOM 735 CB GLU A 49 9.256 6.851 -6.880 1.00 0.00 C ATOM 736 CG GLU A 49 9.272 8.320 -6.483 1.00 0.00 C ATOM 737 CD GLU A 49 10.507 9.041 -6.979 1.00 0.00 C ATOM 738 OE1 GLU A 49 10.969 8.740 -8.099 1.00 0.00 O ATOM 739 OE2 GLU A 49 11.037 9.901 -6.246 1.00 0.00 O ATOM 0 H GLU A 49 8.198 3.978 -5.937 1.00 0.00 H new ATOM 0 HA GLU A 49 8.258 6.056 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.205 6.398 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.182 6.779 -7.965 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.384 8.811 -6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.220 8.400 -5.397 1.00 0.00 H new ATOM 746 N LEU A 50 5.916 6.747 -5.539 1.00 0.00 N ATOM 747 CA LEU A 50 4.612 7.371 -5.676 1.00 0.00 C ATOM 748 C LEU A 50 4.750 8.875 -5.506 1.00 0.00 C ATOM 749 O LEU A 50 5.388 9.346 -4.568 1.00 0.00 O ATOM 750 CB LEU A 50 3.631 6.798 -4.649 1.00 0.00 C ATOM 751 CG LEU A 50 3.382 5.291 -4.760 1.00 0.00 C ATOM 752 CD1 LEU A 50 2.398 4.830 -3.697 1.00 0.00 C ATOM 753 CD2 LEU A 50 2.868 4.937 -6.147 1.00 0.00 C ATOM 0 H LEU A 50 6.110 6.372 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 50 4.217 7.160 -6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.007 7.016 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.678 7.317 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 50 4.329 4.775 -4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.235 3.757 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.802 5.048 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.451 5.354 -3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.696 3.862 -6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.933 5.465 -6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.606 5.230 -6.894 1.00 0.00 H new ATOM 765 N THR A 51 4.155 9.626 -6.410 1.00 0.00 N ATOM 766 CA THR A 51 4.331 11.070 -6.437 1.00 0.00 C ATOM 767 C THR A 51 3.254 11.765 -5.614 1.00 0.00 C ATOM 768 O THR A 51 2.192 11.193 -5.377 1.00 0.00 O ATOM 769 CB THR A 51 4.290 11.597 -7.884 1.00 0.00 C ATOM 770 OG1 THR A 51 3.097 11.141 -8.536 1.00 0.00 O ATOM 771 CG2 THR A 51 5.512 11.136 -8.668 1.00 0.00 C ATOM 0 H THR A 51 3.542 9.262 -7.140 1.00 0.00 H new ATOM 0 HA THR A 51 5.306 11.291 -6.003 1.00 0.00 H new ATOM 0 HB THR A 51 4.294 12.686 -7.850 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.076 11.481 -9.455 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.458 11.522 -9.686 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.416 11.509 -8.186 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.538 10.047 -8.694 1.00 0.00 H new ATOM 779 N GLU A 52 3.537 12.989 -5.178 1.00 0.00 N ATOM 780 CA GLU A 52 2.570 13.801 -4.435 1.00 0.00 C ATOM 781 C GLU A 52 1.226 13.827 -5.160 1.00 0.00 C ATOM 782 O GLU A 52 0.173 13.632 -4.551 1.00 0.00 O ATOM 783 CB GLU A 52 3.128 15.224 -4.267 1.00 0.00 C ATOM 784 CG GLU A 52 2.260 16.171 -3.442 1.00 0.00 C ATOM 785 CD GLU A 52 1.206 16.899 -4.260 1.00 0.00 C ATOM 786 OE1 GLU A 52 1.411 17.092 -5.478 1.00 0.00 O ATOM 787 OE2 GLU A 52 0.172 17.300 -3.683 1.00 0.00 O ATOM 0 H GLU A 52 4.436 13.447 -5.327 1.00 0.00 H new ATOM 0 HA GLU A 52 2.409 13.363 -3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.111 15.159 -3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.273 15.659 -5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.767 15.604 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.901 16.906 -2.954 1.00 0.00 H new ATOM 794 N LYS A 53 1.286 14.030 -6.466 1.00 0.00 N ATOM 795 CA LYS A 53 0.091 14.108 -7.293 1.00 0.00 C ATOM 796 C LYS A 53 -0.660 12.777 -7.298 1.00 0.00 C ATOM 797 O LYS A 53 -1.879 12.740 -7.143 1.00 0.00 O ATOM 798 CB LYS A 53 0.485 14.496 -8.716 1.00 0.00 C ATOM 799 CG LYS A 53 -0.689 14.720 -9.655 1.00 0.00 C ATOM 800 CD LYS A 53 -0.207 15.167 -11.023 1.00 0.00 C ATOM 801 CE LYS A 53 -1.360 15.480 -11.960 1.00 0.00 C ATOM 802 NZ LYS A 53 -0.868 16.011 -13.256 1.00 0.00 N ATOM 0 H LYS A 53 2.159 14.145 -6.981 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.573 14.866 -6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.083 15.406 -8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.121 13.713 -9.130 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.265 13.800 -9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.357 15.472 -9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.422 16.051 -10.915 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.414 14.386 -11.461 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.947 14.578 -12.133 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.024 16.208 -11.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.677 16.216 -13.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.328 16.884 -13.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.254 15.305 -13.710 1.00 0.00 H new ATOM 816 N ASP A 54 0.083 11.688 -7.458 1.00 0.00 N ATOM 817 CA ASP A 54 -0.509 10.355 -7.548 1.00 0.00 C ATOM 818 C ASP A 54 -1.078 9.929 -6.199 1.00 0.00 C ATOM 819 O ASP A 54 -2.149 9.325 -6.121 1.00 0.00 O ATOM 820 CB ASP A 54 0.540 9.347 -8.017 1.00 0.00 C ATOM 821 CG ASP A 54 -0.073 8.062 -8.528 1.00 0.00 C ATOM 822 OD1 ASP A 54 -1.014 8.132 -9.348 1.00 0.00 O ATOM 823 OD2 ASP A 54 0.403 6.977 -8.146 1.00 0.00 O ATOM 0 H ASP A 54 1.100 11.701 -7.528 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.323 10.385 -8.273 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.142 9.796 -8.806 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.214 9.120 -7.191 1.00 0.00 H new ATOM 828 N VAL A 55 -0.352 10.266 -5.142 1.00 0.00 N ATOM 829 CA VAL A 55 -0.782 9.971 -3.779 1.00 0.00 C ATOM 830 C VAL A 55 -2.062 10.729 -3.434 1.00 0.00 C ATOM 831 O VAL A 55 -2.941 10.197 -2.759 1.00 0.00 O ATOM 832 CB VAL A 55 0.316 10.325 -2.749 1.00 0.00 C ATOM 833 CG1 VAL A 55 -0.185 10.139 -1.329 1.00 0.00 C ATOM 834 CG2 VAL A 55 1.554 9.476 -2.972 1.00 0.00 C ATOM 0 H VAL A 55 0.545 10.748 -5.202 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.974 8.899 -3.730 1.00 0.00 H new ATOM 0 HB VAL A 55 0.575 11.374 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.608 10.395 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.044 10.788 -1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.480 9.100 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.314 9.741 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.297 8.422 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.942 9.654 -3.975 1.00 0.00 H new ATOM 844 N ASN A 56 -2.174 11.964 -3.914 1.00 0.00 N ATOM 845 CA ASN A 56 -3.350 12.784 -3.633 1.00 0.00 C ATOM 846 C ASN A 56 -4.584 12.238 -4.334 1.00 0.00 C ATOM 847 O ASN A 56 -5.712 12.531 -3.933 1.00 0.00 O ATOM 848 CB ASN A 56 -3.130 14.247 -4.028 1.00 0.00 C ATOM 849 CG ASN A 56 -2.417 15.043 -2.950 1.00 0.00 C ATOM 850 OD1 ASN A 56 -1.487 14.410 -2.248 1.00 0.00 O flip ATOM 851 ND2 ASN A 56 -2.696 16.226 -2.755 1.00 0.00 N flip ATOM 0 H ASN A 56 -1.470 12.418 -4.496 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.512 12.743 -2.556 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.548 14.287 -4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.093 14.711 -4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.418 16.679 -3.316 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.205 16.753 -2.033 1.00 0.00 H new ATOM 858 N ILE A 57 -4.372 11.452 -5.382 1.00 0.00 N ATOM 859 CA ILE A 57 -5.473 10.791 -6.064 1.00 0.00 C ATOM 860 C ILE A 57 -6.039 9.687 -5.176 1.00 0.00 C ATOM 861 O ILE A 57 -7.255 9.570 -5.010 1.00 0.00 O ATOM 862 CB ILE A 57 -5.034 10.193 -7.421 1.00 0.00 C ATOM 863 CG1 ILE A 57 -4.500 11.294 -8.344 1.00 0.00 C ATOM 864 CG2 ILE A 57 -6.186 9.452 -8.086 1.00 0.00 C ATOM 865 CD1 ILE A 57 -5.499 12.399 -8.628 1.00 0.00 C ATOM 0 H ILE A 57 -3.451 11.258 -5.776 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.239 11.541 -6.262 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.233 9.478 -7.234 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.609 11.731 -7.894 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.192 10.845 -9.288 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.852 9.041 -9.039 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.520 8.642 -7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.012 10.143 -8.258 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.046 13.139 -9.288 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.382 11.977 -9.108 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.789 12.877 -7.692 1.00 0.00 H new ATOM 877 N GLY A 58 -5.140 8.900 -4.591 1.00 0.00 N ATOM 878 CA GLY A 58 -5.538 7.845 -3.680 1.00 0.00 C ATOM 879 C GLY A 58 -6.172 8.386 -2.414 1.00 0.00 C ATOM 880 O GLY A 58 -5.904 9.516 -2.008 1.00 0.00 O ATOM 0 H GLY A 58 -4.133 8.977 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.243 7.182 -4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.666 7.245 -3.419 1.00 0.00 H new ATOM 884 N GLU A 59 -7.013 7.579 -1.791 1.00 0.00 N ATOM 885 CA GLU A 59 -7.728 8.001 -0.599 1.00 0.00 C ATOM 886 C GLU A 59 -7.191 7.291 0.640 1.00 0.00 C ATOM 887 O GLU A 59 -6.822 7.935 1.621 1.00 0.00 O ATOM 888 CB GLU A 59 -9.219 7.721 -0.778 1.00 0.00 C ATOM 889 CG GLU A 59 -9.824 8.459 -1.960 1.00 0.00 C ATOM 890 CD GLU A 59 -11.215 7.977 -2.300 1.00 0.00 C ATOM 891 OE1 GLU A 59 -12.191 8.488 -1.708 1.00 0.00 O ATOM 892 OE2 GLU A 59 -11.343 7.086 -3.164 1.00 0.00 O ATOM 0 H GLU A 59 -7.218 6.626 -2.091 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.578 9.071 -0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.368 6.649 -0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.748 8.006 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.858 9.526 -1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.178 8.335 -2.829 1.00 0.00 H new ATOM 899 N VAL A 60 -7.149 5.966 0.591 1.00 0.00 N ATOM 900 CA VAL A 60 -6.631 5.185 1.705 1.00 0.00 C ATOM 901 C VAL A 60 -5.219 4.696 1.408 1.00 0.00 C ATOM 902 O VAL A 60 -4.903 4.328 0.273 1.00 0.00 O ATOM 903 CB VAL A 60 -7.542 3.983 2.051 1.00 0.00 C ATOM 904 CG1 VAL A 60 -8.877 4.467 2.597 1.00 0.00 C ATOM 905 CG2 VAL A 60 -7.757 3.086 0.840 1.00 0.00 C ATOM 0 H VAL A 60 -7.466 5.412 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.610 5.846 2.572 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.041 3.394 2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.505 3.609 2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.709 5.055 3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.374 5.084 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.401 2.251 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.228 3.659 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.796 2.705 0.495 1.00 0.00 H new ATOM 915 N VAL A 61 -4.370 4.712 2.425 1.00 0.00 N ATOM 916 CA VAL A 61 -2.981 4.321 2.267 1.00 0.00 C ATOM 917 C VAL A 61 -2.706 3.008 2.988 1.00 0.00 C ATOM 918 O VAL A 61 -3.031 2.854 4.166 1.00 0.00 O ATOM 919 CB VAL A 61 -2.022 5.398 2.815 1.00 0.00 C ATOM 920 CG1 VAL A 61 -0.586 5.059 2.464 1.00 0.00 C ATOM 921 CG2 VAL A 61 -2.393 6.779 2.296 1.00 0.00 C ATOM 0 H VAL A 61 -4.623 4.993 3.372 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.805 4.201 1.198 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.117 5.414 3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.077 5.829 2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.322 4.096 2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.479 5.008 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.700 7.517 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.338 6.786 1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.408 7.025 2.609 1.00 0.00 H new ATOM 931 N ILE A 62 -2.111 2.068 2.278 1.00 0.00 N ATOM 932 CA ILE A 62 -1.742 0.788 2.861 1.00 0.00 C ATOM 933 C ILE A 62 -0.224 0.676 2.964 1.00 0.00 C ATOM 934 O ILE A 62 0.492 0.888 1.987 1.00 0.00 O ATOM 935 CB ILE A 62 -2.294 -0.396 2.034 1.00 0.00 C ATOM 936 CG1 ILE A 62 -3.825 -0.343 1.994 1.00 0.00 C ATOM 937 CG2 ILE A 62 -1.818 -1.724 2.609 1.00 0.00 C ATOM 938 CD1 ILE A 62 -4.455 -1.464 1.194 1.00 0.00 C ATOM 0 H ILE A 62 -1.871 2.166 1.291 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.183 0.741 3.857 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.915 -0.314 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.207 -0.378 3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.135 0.612 1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.218 -2.543 2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.729 -1.759 2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.166 -1.821 3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.540 -1.359 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.103 -1.418 0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.176 -2.423 1.630 1.00 0.00 H new ATOM 950 N PHE A 63 0.270 0.357 4.145 1.00 0.00 N ATOM 951 CA PHE A 63 1.700 0.207 4.346 1.00 0.00 C ATOM 952 C PHE A 63 2.039 -1.199 4.807 1.00 0.00 C ATOM 953 O PHE A 63 1.675 -1.608 5.905 1.00 0.00 O ATOM 954 CB PHE A 63 2.221 1.225 5.361 1.00 0.00 C ATOM 955 CG PHE A 63 2.832 2.444 4.734 1.00 0.00 C ATOM 956 CD1 PHE A 63 2.038 3.467 4.249 1.00 0.00 C ATOM 957 CD2 PHE A 63 4.208 2.564 4.631 1.00 0.00 C ATOM 958 CE1 PHE A 63 2.605 4.588 3.672 1.00 0.00 C ATOM 959 CE2 PHE A 63 4.780 3.680 4.057 1.00 0.00 C ATOM 960 CZ PHE A 63 3.977 4.695 3.576 1.00 0.00 C ATOM 0 H PHE A 63 -0.296 0.197 4.979 1.00 0.00 H new ATOM 0 HA PHE A 63 2.187 0.389 3.388 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.399 1.533 6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.964 0.743 5.997 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.963 3.389 4.322 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.841 1.773 5.005 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.974 5.380 3.296 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.855 3.760 3.984 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.422 5.570 3.126 1.00 0.00 H new ATOM 970 N ALA A 64 2.715 -1.940 3.953 1.00 0.00 N ATOM 971 CA ALA A 64 3.254 -3.229 4.332 1.00 0.00 C ATOM 972 C ALA A 64 4.765 -3.136 4.306 1.00 0.00 C ATOM 973 O ALA A 64 5.398 -3.348 3.270 1.00 0.00 O ATOM 974 CB ALA A 64 2.755 -4.320 3.402 1.00 0.00 C ATOM 0 H ALA A 64 2.905 -1.670 2.988 1.00 0.00 H new ATOM 0 HA ALA A 64 2.920 -3.491 5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.174 -5.279 3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.667 -4.368 3.448 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.065 -4.098 2.381 1.00 0.00 H new ATOM 980 N VAL A 65 5.341 -2.783 5.439 1.00 0.00 N ATOM 981 CA VAL A 65 6.747 -2.431 5.478 1.00 0.00 C ATOM 982 C VAL A 65 7.495 -3.135 6.598 1.00 0.00 C ATOM 983 O VAL A 65 6.994 -3.292 7.710 1.00 0.00 O ATOM 984 CB VAL A 65 6.947 -0.905 5.610 1.00 0.00 C ATOM 985 CG1 VAL A 65 6.463 -0.195 4.355 1.00 0.00 C ATOM 986 CG2 VAL A 65 6.227 -0.363 6.838 1.00 0.00 C ATOM 0 H VAL A 65 4.862 -2.732 6.338 1.00 0.00 H new ATOM 0 HA VAL A 65 7.163 -2.768 4.528 1.00 0.00 H new ATOM 0 HB VAL A 65 8.013 -0.714 5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.611 0.879 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.027 -0.553 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.403 -0.402 4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.385 0.713 6.907 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.160 -0.569 6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.621 -0.845 7.733 1.00 0.00 H new ATOM 996 N ASP A 66 8.689 -3.578 6.261 1.00 0.00 N ATOM 997 CA ASP A 66 9.618 -4.165 7.211 1.00 0.00 C ATOM 998 C ASP A 66 10.842 -3.260 7.342 1.00 0.00 C ATOM 999 O ASP A 66 11.749 -3.507 8.137 1.00 0.00 O ATOM 1000 CB ASP A 66 10.006 -5.568 6.731 1.00 0.00 C ATOM 1001 CG ASP A 66 11.147 -6.199 7.506 1.00 0.00 C ATOM 1002 OD1 ASP A 66 10.973 -6.476 8.710 1.00 0.00 O ATOM 1003 OD2 ASP A 66 12.215 -6.445 6.901 1.00 0.00 O ATOM 0 H ASP A 66 9.048 -3.541 5.307 1.00 0.00 H new ATOM 0 HA ASP A 66 9.156 -4.255 8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.133 -6.217 6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.283 -5.516 5.678 1.00 0.00 H new ATOM 1008 N THR A 67 10.840 -2.184 6.570 1.00 0.00 N ATOM 1009 CA THR A 67 11.946 -1.243 6.568 1.00 0.00 C ATOM 1010 C THR A 67 11.433 0.187 6.390 1.00 0.00 C ATOM 1011 O THR A 67 10.239 0.408 6.164 1.00 0.00 O ATOM 1012 CB THR A 67 12.975 -1.579 5.461 1.00 0.00 C ATOM 1013 OG1 THR A 67 14.177 -0.823 5.651 1.00 0.00 O ATOM 1014 CG2 THR A 67 12.416 -1.289 4.077 1.00 0.00 C ATOM 0 H THR A 67 10.080 -1.941 5.934 1.00 0.00 H new ATOM 0 HA THR A 67 12.448 -1.324 7.532 1.00 0.00 H new ATOM 0 HB THR A 67 13.195 -2.644 5.532 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.819 -1.047 4.945 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.164 -1.536 3.323 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.522 -1.891 3.912 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.161 -0.232 4.002 1.00 0.00 H new ATOM 1022 N LYS A 68 12.349 1.136 6.493 1.00 0.00 N ATOM 1023 CA LYS A 68 12.036 2.554 6.404 1.00 0.00 C ATOM 1024 C LYS A 68 11.660 2.952 4.976 1.00 0.00 C ATOM 1025 O LYS A 68 12.253 2.474 4.008 1.00 0.00 O ATOM 1026 CB LYS A 68 13.248 3.358 6.877 1.00 0.00 C ATOM 1027 CG LYS A 68 13.090 4.864 6.760 1.00 0.00 C ATOM 1028 CD LYS A 68 14.385 5.578 7.114 1.00 0.00 C ATOM 1029 CE LYS A 68 15.536 5.097 6.244 1.00 0.00 C ATOM 1030 NZ LYS A 68 16.815 5.779 6.580 1.00 0.00 N ATOM 0 H LYS A 68 13.339 0.943 6.642 1.00 0.00 H new ATOM 0 HA LYS A 68 11.176 2.767 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.451 3.107 7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.120 3.051 6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.793 5.124 5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.292 5.202 7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.256 6.653 6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.623 5.406 8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.657 4.021 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.296 5.274 5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.572 5.421 5.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.709 6.804 6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.059 5.589 7.573 1.00 0.00 H new ATOM 1044 N VAL A 69 10.674 3.834 4.856 1.00 0.00 N ATOM 1045 CA VAL A 69 10.217 4.310 3.557 1.00 0.00 C ATOM 1046 C VAL A 69 10.506 5.798 3.416 1.00 0.00 C ATOM 1047 O VAL A 69 10.103 6.596 4.257 1.00 0.00 O ATOM 1048 CB VAL A 69 8.706 4.067 3.358 1.00 0.00 C ATOM 1049 CG1 VAL A 69 8.269 4.494 1.963 1.00 0.00 C ATOM 1050 CG2 VAL A 69 8.355 2.609 3.605 1.00 0.00 C ATOM 0 H VAL A 69 10.173 4.236 5.649 1.00 0.00 H new ATOM 0 HA VAL A 69 10.758 3.749 2.795 1.00 0.00 H new ATOM 0 HB VAL A 69 8.168 4.675 4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.201 4.314 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.475 5.556 1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.818 3.919 1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.285 2.463 3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.906 1.979 2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.622 2.339 4.627 1.00 0.00 H new ATOM 1060 N ARG A 70 11.193 6.167 2.345 1.00 0.00 N ATOM 1061 CA ARG A 70 11.618 7.547 2.157 1.00 0.00 C ATOM 1062 C ARG A 70 10.499 8.411 1.577 1.00 0.00 C ATOM 1063 O ARG A 70 10.361 9.578 1.942 1.00 0.00 O ATOM 1064 CB ARG A 70 12.871 7.608 1.276 1.00 0.00 C ATOM 1065 CG ARG A 70 14.094 6.999 1.946 1.00 0.00 C ATOM 1066 CD ARG A 70 15.380 7.342 1.211 1.00 0.00 C ATOM 1067 NE ARG A 70 15.537 6.600 -0.040 1.00 0.00 N ATOM 1068 CZ ARG A 70 16.014 7.139 -1.161 1.00 0.00 C ATOM 1069 NH1 ARG A 70 16.273 8.443 -1.213 1.00 0.00 N ATOM 1070 NH2 ARG A 70 16.220 6.378 -2.228 1.00 0.00 N ATOM 0 H ARG A 70 11.468 5.533 1.595 1.00 0.00 H new ATOM 0 HA ARG A 70 11.864 7.954 3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.677 7.085 0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.081 8.647 1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.159 7.355 2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.981 5.916 1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.397 8.411 0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 70 16.230 7.133 1.860 1.00 0.00 H new ATOM 0 HE ARG A 70 15.267 5.617 -0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.106 9.029 -0.395 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.638 8.857 -2.071 1.00 0.00 H new ATOM 0 HH21 ARG A 70 16.013 5.380 -2.190 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.585 6.791 -3.086 1.00 0.00 H new ATOM 1084 N ASN A 71 9.685 7.834 0.700 1.00 0.00 N ATOM 1085 CA ASN A 71 8.583 8.573 0.080 1.00 0.00 C ATOM 1086 C ASN A 71 7.370 8.616 0.996 1.00 0.00 C ATOM 1087 O ASN A 71 6.394 9.310 0.714 1.00 0.00 O ATOM 1088 CB ASN A 71 8.192 7.967 -1.271 1.00 0.00 C ATOM 1089 CG ASN A 71 9.285 8.106 -2.309 1.00 0.00 C ATOM 1090 OD1 ASN A 71 9.281 7.218 -3.283 1.00 0.00 O flip ATOM 1091 ND2 ASN A 71 10.119 9.012 -2.245 1.00 0.00 N flip ATOM 0 H ASN A 71 9.764 6.862 0.401 1.00 0.00 H new ATOM 0 HA ASN A 71 8.934 9.591 -0.088 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.955 6.911 -1.137 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.287 8.453 -1.635 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.088 9.680 -1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.840 9.094 -2.962 1.00 0.00 H new ATOM 1098 N LYS A 72 7.450 7.876 2.097 1.00 0.00 N ATOM 1099 CA LYS A 72 6.360 7.775 3.072 1.00 0.00 C ATOM 1100 C LYS A 72 5.835 9.148 3.494 1.00 0.00 C ATOM 1101 O LYS A 72 4.661 9.291 3.829 1.00 0.00 O ATOM 1102 CB LYS A 72 6.849 7.006 4.302 1.00 0.00 C ATOM 1103 CG LYS A 72 5.881 7.026 5.470 1.00 0.00 C ATOM 1104 CD LYS A 72 6.453 6.300 6.671 1.00 0.00 C ATOM 1105 CE LYS A 72 5.629 6.560 7.919 1.00 0.00 C ATOM 1106 NZ LYS A 72 5.583 8.009 8.259 1.00 0.00 N ATOM 0 H LYS A 72 8.273 7.326 2.343 1.00 0.00 H new ATOM 0 HA LYS A 72 5.535 7.243 2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.038 5.971 4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.801 7.427 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.654 8.057 5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.941 6.560 5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.484 5.229 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.481 6.623 6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.615 6.189 7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.051 6.003 8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.320 8.123 9.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.518 8.434 8.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.878 8.484 7.659 1.00 0.00 H new ATOM 1120 N GLU A 73 6.706 10.147 3.440 1.00 0.00 N ATOM 1121 CA GLU A 73 6.390 11.502 3.890 1.00 0.00 C ATOM 1122 C GLU A 73 5.091 12.035 3.272 1.00 0.00 C ATOM 1123 O GLU A 73 4.344 12.768 3.921 1.00 0.00 O ATOM 1124 CB GLU A 73 7.541 12.445 3.534 1.00 0.00 C ATOM 1125 CG GLU A 73 8.905 11.950 3.983 1.00 0.00 C ATOM 1126 CD GLU A 73 8.976 11.698 5.471 1.00 0.00 C ATOM 1127 OE1 GLU A 73 9.298 12.636 6.222 1.00 0.00 O ATOM 1128 OE2 GLU A 73 8.713 10.555 5.900 1.00 0.00 O ATOM 0 H GLU A 73 7.656 10.043 3.082 1.00 0.00 H new ATOM 0 HA GLU A 73 6.251 11.459 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.556 12.592 2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.352 13.419 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.145 11.029 3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.662 12.684 3.707 1.00 0.00 H new ATOM 1135 N ARG A 74 4.820 11.666 2.025 1.00 0.00 N ATOM 1136 CA ARG A 74 3.679 12.215 1.302 1.00 0.00 C ATOM 1137 C ARG A 74 2.369 11.486 1.617 1.00 0.00 C ATOM 1138 O ARG A 74 1.309 11.911 1.168 1.00 0.00 O ATOM 1139 CB ARG A 74 3.958 12.182 -0.194 1.00 0.00 C ATOM 1140 CG ARG A 74 4.170 10.784 -0.739 1.00 0.00 C ATOM 1141 CD ARG A 74 5.107 10.807 -1.926 1.00 0.00 C ATOM 1142 NE ARG A 74 6.460 11.236 -1.558 1.00 0.00 N ATOM 1143 CZ ARG A 74 7.474 11.343 -2.420 1.00 0.00 C ATOM 1144 NH1 ARG A 74 7.328 10.974 -3.686 1.00 0.00 N ATOM 1145 NH2 ARG A 74 8.651 11.784 -2.003 1.00 0.00 N ATOM 0 H ARG A 74 5.372 10.992 1.495 1.00 0.00 H new ATOM 0 HA ARG A 74 3.549 13.245 1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.125 12.646 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.843 12.783 -0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.580 10.143 0.041 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.213 10.355 -1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.152 9.813 -2.370 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.710 11.479 -2.687 1.00 0.00 H new ATOM 0 HE ARG A 74 6.638 11.468 -0.581 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.434 10.604 -4.010 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.110 11.060 -4.336 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.782 12.041 -1.025 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.427 11.866 -2.660 1.00 0.00 H new ATOM 1159 N PHE A 75 2.435 10.386 2.363 1.00 0.00 N ATOM 1160 CA PHE A 75 1.234 9.697 2.815 1.00 0.00 C ATOM 1161 C PHE A 75 0.888 10.139 4.224 1.00 0.00 C ATOM 1162 O PHE A 75 -0.112 9.713 4.797 1.00 0.00 O ATOM 1163 CB PHE A 75 1.439 8.189 2.797 1.00 0.00 C ATOM 1164 CG PHE A 75 2.010 7.668 1.507 1.00 0.00 C ATOM 1165 CD1 PHE A 75 1.183 7.302 0.460 1.00 0.00 C ATOM 1166 CD2 PHE A 75 3.382 7.545 1.345 1.00 0.00 C ATOM 1167 CE1 PHE A 75 1.711 6.822 -0.723 1.00 0.00 C ATOM 1168 CE2 PHE A 75 3.915 7.067 0.166 1.00 0.00 C ATOM 1169 CZ PHE A 75 3.079 6.704 -0.869 1.00 0.00 C ATOM 0 H PHE A 75 3.308 9.954 2.666 1.00 0.00 H new ATOM 0 HA PHE A 75 0.418 9.950 2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.104 7.913 3.615 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.483 7.700 2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.112 7.393 0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.041 7.827 2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.055 6.539 -1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.985 6.977 0.054 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.494 6.328 -1.793 1.00 0.00 H new ATOM 1179 N ASP A 76 1.721 11.008 4.768 1.00 0.00 N ATOM 1180 CA ASP A 76 1.510 11.529 6.108 1.00 0.00 C ATOM 1181 C ASP A 76 0.489 12.654 6.072 1.00 0.00 C ATOM 1182 O ASP A 76 0.480 13.473 5.148 1.00 0.00 O ATOM 1183 CB ASP A 76 2.822 12.003 6.735 1.00 0.00 C ATOM 1184 CG ASP A 76 3.447 10.950 7.631 1.00 0.00 C ATOM 1185 OD1 ASP A 76 3.091 10.904 8.828 1.00 0.00 O ATOM 1186 OD2 ASP A 76 4.304 10.174 7.155 1.00 0.00 O ATOM 0 H ASP A 76 2.553 11.369 4.301 1.00 0.00 H new ATOM 0 HA ASP A 76 1.124 10.723 6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.525 12.268 5.945 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.639 12.908 7.315 1.00 0.00 H new ATOM 1191 N GLY A 77 -0.377 12.682 7.068 1.00 0.00 N ATOM 1192 CA GLY A 77 -1.503 13.587 7.037 1.00 0.00 C ATOM 1193 C GLY A 77 -2.653 12.956 6.289 1.00 0.00 C ATOM 1194 O GLY A 77 -3.509 13.642 5.735 1.00 0.00 O ATOM 0 H GLY A 77 -0.321 12.094 7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.811 13.833 8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.215 14.522 6.556 1.00 0.00 H new ATOM 1198 N LYS A 78 -2.630 11.633 6.245 1.00 0.00 N ATOM 1199 CA LYS A 78 -3.645 10.849 5.565 1.00 0.00 C ATOM 1200 C LYS A 78 -3.996 9.624 6.405 1.00 0.00 C ATOM 1201 O LYS A 78 -3.766 9.613 7.617 1.00 0.00 O ATOM 1202 CB LYS A 78 -3.150 10.455 4.170 1.00 0.00 C ATOM 1203 CG LYS A 78 -3.496 11.483 3.105 1.00 0.00 C ATOM 1204 CD LYS A 78 -2.412 11.593 2.048 1.00 0.00 C ATOM 1205 CE LYS A 78 -1.181 12.289 2.592 1.00 0.00 C ATOM 1206 NZ LYS A 78 -1.486 13.642 3.129 1.00 0.00 N ATOM 0 H LYS A 78 -1.901 11.071 6.684 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.551 11.443 5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.069 10.320 4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.584 9.494 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.439 11.210 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.645 12.455 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.143 10.597 1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.794 12.144 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.741 11.679 3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.436 12.374 1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.900 14.349 2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.491 13.859 2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.280 13.665 4.148 1.00 0.00 H new ATOM 1220 N VAL A 79 -4.547 8.598 5.779 1.00 0.00 N ATOM 1221 CA VAL A 79 -4.972 7.412 6.511 1.00 0.00 C ATOM 1222 C VAL A 79 -4.071 6.224 6.185 1.00 0.00 C ATOM 1223 O VAL A 79 -4.119 5.666 5.090 1.00 0.00 O ATOM 1224 CB VAL A 79 -6.460 7.071 6.246 1.00 0.00 C ATOM 1225 CG1 VAL A 79 -6.742 6.952 4.759 1.00 0.00 C ATOM 1226 CG2 VAL A 79 -6.867 5.798 6.978 1.00 0.00 C ATOM 0 H VAL A 79 -4.711 8.560 4.773 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.878 7.633 7.574 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.061 7.893 6.635 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.794 6.712 4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.510 7.897 4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.124 6.161 4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.916 5.581 6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.251 4.967 6.633 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.725 5.934 8.050 1.00 0.00 H new ATOM 1236 N VAL A 80 -3.232 5.856 7.140 1.00 0.00 N ATOM 1237 CA VAL A 80 -2.250 4.808 6.929 1.00 0.00 C ATOM 1238 C VAL A 80 -2.625 3.531 7.671 1.00 0.00 C ATOM 1239 O VAL A 80 -2.665 3.499 8.903 1.00 0.00 O ATOM 1240 CB VAL A 80 -0.844 5.264 7.379 1.00 0.00 C ATOM 1241 CG1 VAL A 80 0.177 4.154 7.191 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -0.418 6.513 6.622 1.00 0.00 C ATOM 0 H VAL A 80 -3.213 6.270 8.072 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.235 4.601 5.859 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.893 5.502 8.442 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.157 4.503 7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.115 3.287 7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.221 3.875 6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.575 6.818 6.953 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.395 6.300 5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.128 7.316 6.817 1.00 0.00 H new ATOM 1252 N LEU A 81 -2.897 2.485 6.911 1.00 0.00 N ATOM 1253 CA LEU A 81 -3.122 1.167 7.475 1.00 0.00 C ATOM 1254 C LEU A 81 -1.825 0.376 7.342 1.00 0.00 C ATOM 1255 O LEU A 81 -1.475 -0.090 6.257 1.00 0.00 O ATOM 1256 CB LEU A 81 -4.294 0.473 6.752 1.00 0.00 C ATOM 1257 CG LEU A 81 -4.844 -0.812 7.400 1.00 0.00 C ATOM 1258 CD1 LEU A 81 -3.932 -2.001 7.144 1.00 0.00 C ATOM 1259 CD2 LEU A 81 -5.048 -0.617 8.895 1.00 0.00 C ATOM 0 H LEU A 81 -2.968 2.524 5.894 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.396 1.234 8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.112 1.188 6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.974 0.233 5.738 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.809 -1.023 6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.352 -2.890 7.616 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.844 -2.167 6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.946 -1.800 7.562 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.437 -1.537 9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.096 -0.367 9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.758 0.193 9.063 1.00 0.00 H new ATOM 1271 N GLU A 82 -1.100 0.270 8.445 1.00 0.00 N ATOM 1272 CA GLU A 82 0.238 -0.299 8.428 1.00 0.00 C ATOM 1273 C GLU A 82 0.251 -1.709 9.008 1.00 0.00 C ATOM 1274 O GLU A 82 -0.159 -1.928 10.148 1.00 0.00 O ATOM 1275 CB GLU A 82 1.187 0.597 9.222 1.00 0.00 C ATOM 1276 CG GLU A 82 2.646 0.206 9.097 1.00 0.00 C ATOM 1277 CD GLU A 82 3.521 0.934 10.090 1.00 0.00 C ATOM 1278 OE1 GLU A 82 3.701 0.416 11.211 1.00 0.00 O ATOM 1279 OE2 GLU A 82 4.029 2.029 9.763 1.00 0.00 O ATOM 0 H GLU A 82 -1.418 0.572 9.366 1.00 0.00 H new ATOM 0 HA GLU A 82 0.568 -0.359 7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.066 1.627 8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.902 0.570 10.274 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.746 -0.869 9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.992 0.420 8.086 1.00 0.00 H new ATOM 1286 N VAL A 83 0.735 -2.652 8.218 1.00 0.00 N ATOM 1287 CA VAL A 83 0.845 -4.042 8.636 1.00 0.00 C ATOM 1288 C VAL A 83 2.213 -4.600 8.245 1.00 0.00 C ATOM 1289 O VAL A 83 2.922 -3.997 7.434 1.00 0.00 O ATOM 1290 CB VAL A 83 -0.259 -4.920 8.000 1.00 0.00 C ATOM 1291 CG1 VAL A 83 -1.631 -4.544 8.537 1.00 0.00 C ATOM 1292 CG2 VAL A 83 -0.231 -4.801 6.481 1.00 0.00 C ATOM 0 H VAL A 83 1.063 -2.477 7.268 1.00 0.00 H new ATOM 0 HA VAL A 83 0.725 -4.067 9.719 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.061 -5.957 8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.389 -5.176 8.074 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.650 -4.687 9.617 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.839 -3.499 8.305 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.015 -5.426 6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.397 -3.763 6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.739 -5.129 6.108 1.00 0.00 H new ATOM 1302 N PRO A 84 2.620 -5.738 8.830 1.00 0.00 N ATOM 1303 CA PRO A 84 3.849 -6.429 8.427 1.00 0.00 C ATOM 1304 C PRO A 84 3.807 -6.822 6.953 1.00 0.00 C ATOM 1305 O PRO A 84 2.755 -7.197 6.438 1.00 0.00 O ATOM 1306 CB PRO A 84 3.874 -7.678 9.314 1.00 0.00 C ATOM 1307 CG PRO A 84 3.005 -7.340 10.475 1.00 0.00 C ATOM 1308 CD PRO A 84 1.940 -6.426 9.941 1.00 0.00 C ATOM 0 HA PRO A 84 4.733 -5.803 8.544 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.498 -8.550 8.779 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.888 -7.914 9.635 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.567 -8.239 10.909 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.579 -6.852 11.263 1.00 0.00 H new ATOM 0 HD2 PRO A 84 1.067 -6.981 9.598 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.594 -5.724 10.699 1.00 0.00 H new ATOM 1316 N VAL A 85 4.950 -6.749 6.284 1.00 0.00 N ATOM 1317 CA VAL A 85 5.021 -7.010 4.847 1.00 0.00 C ATOM 1318 C VAL A 85 4.671 -8.468 4.515 1.00 0.00 C ATOM 1319 O VAL A 85 4.248 -8.781 3.401 1.00 0.00 O ATOM 1320 CB VAL A 85 6.425 -6.666 4.291 1.00 0.00 C ATOM 1321 CG1 VAL A 85 7.488 -7.574 4.888 1.00 0.00 C ATOM 1322 CG2 VAL A 85 6.441 -6.734 2.770 1.00 0.00 C ATOM 0 H VAL A 85 5.845 -6.511 6.712 1.00 0.00 H new ATOM 0 HA VAL A 85 4.282 -6.367 4.369 1.00 0.00 H new ATOM 0 HB VAL A 85 6.658 -5.642 4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.463 -7.310 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.503 -7.453 5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.261 -8.611 4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.438 -6.488 2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.175 -7.741 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.721 -6.022 2.366 1.00 0.00 H new ATOM 1332 N SER A 86 4.836 -9.352 5.487 1.00 0.00 N ATOM 1333 CA SER A 86 4.537 -10.764 5.296 1.00 0.00 C ATOM 1334 C SER A 86 3.026 -11.018 5.266 1.00 0.00 C ATOM 1335 O SER A 86 2.571 -12.041 4.750 1.00 0.00 O ATOM 1336 CB SER A 86 5.187 -11.577 6.413 1.00 0.00 C ATOM 1337 OG SER A 86 6.546 -11.205 6.580 1.00 0.00 O ATOM 0 H SER A 86 5.176 -9.116 6.419 1.00 0.00 H new ATOM 0 HA SER A 86 4.942 -11.074 4.333 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.645 -11.421 7.346 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.122 -12.640 6.181 1.00 0.00 H new ATOM 0 HG SER A 86 6.996 -11.210 5.709 1.00 0.00 H new ATOM 1343 N ALA A 87 2.255 -10.080 5.807 1.00 0.00 N ATOM 1344 CA ALA A 87 0.810 -10.254 5.937 1.00 0.00 C ATOM 1345 C ALA A 87 0.082 -10.209 4.583 1.00 0.00 C ATOM 1346 O ALA A 87 -0.640 -11.152 4.252 1.00 0.00 O ATOM 1347 CB ALA A 87 0.231 -9.221 6.896 1.00 0.00 C ATOM 0 H ALA A 87 2.606 -9.191 6.163 1.00 0.00 H new ATOM 0 HA ALA A 87 0.646 -11.251 6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.846 -9.366 6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.691 -9.338 7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.434 -8.219 6.517 1.00 0.00 H new ATOM 1353 N PRO A 88 0.260 -9.140 3.767 1.00 0.00 N ATOM 1354 CA PRO A 88 -0.480 -8.974 2.505 1.00 0.00 C ATOM 1355 C PRO A 88 -0.087 -9.979 1.425 1.00 0.00 C ATOM 1356 O PRO A 88 -0.566 -9.898 0.300 1.00 0.00 O ATOM 1357 CB PRO A 88 -0.116 -7.559 2.058 1.00 0.00 C ATOM 1358 CG PRO A 88 1.209 -7.308 2.672 1.00 0.00 C ATOM 1359 CD PRO A 88 1.173 -8.004 3.999 1.00 0.00 C ATOM 0 HA PRO A 88 -1.546 -9.140 2.658 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.071 -7.485 0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.855 -6.833 2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.012 -7.698 2.046 1.00 0.00 H new ATOM 0 HG3 PRO A 88 1.389 -6.240 2.794 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.164 -8.341 4.303 1.00 0.00 H new ATOM 0 HD3 PRO A 88 0.804 -7.347 4.787 1.00 0.00 H new ATOM 1367 N ILE A 89 0.792 -10.908 1.756 1.00 0.00 N ATOM 1368 CA ILE A 89 1.126 -11.979 0.836 1.00 0.00 C ATOM 1369 C ILE A 89 0.057 -13.067 0.915 1.00 0.00 C ATOM 1370 O ILE A 89 -0.346 -13.645 -0.096 1.00 0.00 O ATOM 1371 CB ILE A 89 2.523 -12.571 1.135 1.00 0.00 C ATOM 1372 CG1 ILE A 89 3.590 -11.480 1.007 1.00 0.00 C ATOM 1373 CG2 ILE A 89 2.828 -13.732 0.196 1.00 0.00 C ATOM 1374 CD1 ILE A 89 5.008 -11.974 1.221 1.00 0.00 C ATOM 0 H ILE A 89 1.284 -10.942 2.649 1.00 0.00 H new ATOM 0 HA ILE A 89 1.157 -11.569 -0.174 1.00 0.00 H new ATOM 0 HB ILE A 89 2.530 -12.952 2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.519 -11.031 0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.378 -10.692 1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.815 -14.134 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.079 -14.513 0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.808 -13.381 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.703 -11.142 1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.099 -12.396 2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.242 -12.740 0.482 1.00 0.00 H new ATOM 1386 N LYS A 90 -0.407 -13.322 2.131 1.00 0.00 N ATOM 1387 CA LYS A 90 -1.487 -14.269 2.361 1.00 0.00 C ATOM 1388 C LYS A 90 -2.819 -13.529 2.478 1.00 0.00 C ATOM 1389 O LYS A 90 -3.786 -13.844 1.788 1.00 0.00 O ATOM 1390 CB LYS A 90 -1.230 -15.066 3.642 1.00 0.00 C ATOM 1391 CG LYS A 90 -2.280 -16.132 3.927 1.00 0.00 C ATOM 1392 CD LYS A 90 -2.770 -16.066 5.367 1.00 0.00 C ATOM 1393 CE LYS A 90 -1.624 -16.176 6.358 1.00 0.00 C ATOM 1394 NZ LYS A 90 -2.076 -15.977 7.760 1.00 0.00 N ATOM 0 H LYS A 90 -0.048 -12.882 2.978 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.530 -14.956 1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.252 -15.543 3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.188 -14.376 4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.124 -16.003 3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.860 -17.119 3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.301 -15.128 5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.483 -16.870 5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.157 -17.156 6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.862 -15.435 6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.262 -16.060 8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.499 -15.032 7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.784 -16.699 8.002 1.00 0.00 H new ATOM 1408 N ASP A 91 -2.846 -12.530 3.350 1.00 0.00 N ATOM 1409 CA ASP A 91 -4.074 -11.814 3.684 1.00 0.00 C ATOM 1410 C ASP A 91 -4.240 -10.567 2.811 1.00 0.00 C ATOM 1411 O ASP A 91 -4.748 -9.553 3.277 1.00 0.00 O ATOM 1412 CB ASP A 91 -4.043 -11.394 5.163 1.00 0.00 C ATOM 1413 CG ASP A 91 -3.924 -12.562 6.130 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -2.789 -13.004 6.404 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -4.962 -13.023 6.651 1.00 0.00 O ATOM 0 H ASP A 91 -2.021 -12.192 3.846 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.916 -12.482 3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.204 -10.716 5.321 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.951 -10.836 5.392 1.00 0.00 H new ATOM 1420 N ALA A 92 -3.855 -10.663 1.541 1.00 0.00 N ATOM 1421 CA ALA A 92 -3.817 -9.501 0.641 1.00 0.00 C ATOM 1422 C ALA A 92 -5.146 -8.750 0.587 1.00 0.00 C ATOM 1423 O ALA A 92 -5.194 -7.541 0.822 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.424 -9.947 -0.760 1.00 0.00 C ATOM 0 H ALA A 92 -3.562 -11.537 1.105 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.074 -8.811 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.397 -9.082 -1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.439 -10.412 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.154 -10.666 -1.131 1.00 0.00 H new ATOM 1430 N GLU A 93 -6.222 -9.470 0.304 1.00 0.00 N ATOM 1431 CA GLU A 93 -7.545 -8.858 0.194 1.00 0.00 C ATOM 1432 C GLU A 93 -8.021 -8.379 1.556 1.00 0.00 C ATOM 1433 O GLU A 93 -8.754 -7.398 1.674 1.00 0.00 O ATOM 1434 CB GLU A 93 -8.536 -9.868 -0.379 1.00 0.00 C ATOM 1435 CG GLU A 93 -8.142 -10.387 -1.749 1.00 0.00 C ATOM 1436 CD GLU A 93 -8.827 -11.692 -2.085 1.00 0.00 C ATOM 1437 OE1 GLU A 93 -8.394 -12.741 -1.560 1.00 0.00 O ATOM 1438 OE2 GLU A 93 -9.794 -11.681 -2.871 1.00 0.00 O ATOM 0 H GLU A 93 -6.209 -10.478 0.146 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.481 -7.999 -0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.625 -10.709 0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.520 -9.404 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.394 -9.642 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.062 -10.526 -1.786 1.00 0.00 H new ATOM 1445 N LYS A 94 -7.559 -9.069 2.584 1.00 0.00 N ATOM 1446 CA LYS A 94 -7.953 -8.795 3.955 1.00 0.00 C ATOM 1447 C LYS A 94 -7.305 -7.503 4.443 1.00 0.00 C ATOM 1448 O LYS A 94 -7.912 -6.729 5.181 1.00 0.00 O ATOM 1449 CB LYS A 94 -7.547 -9.993 4.811 1.00 0.00 C ATOM 1450 CG LYS A 94 -7.723 -9.829 6.308 1.00 0.00 C ATOM 1451 CD LYS A 94 -7.370 -11.130 7.003 1.00 0.00 C ATOM 1452 CE LYS A 94 -6.999 -10.932 8.456 1.00 0.00 C ATOM 1453 NZ LYS A 94 -6.397 -12.166 9.021 1.00 0.00 N ATOM 0 H LYS A 94 -6.897 -9.839 2.491 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.031 -8.654 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.127 -10.858 4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -6.500 -10.219 4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.086 -9.024 6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.752 -9.550 6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.217 -11.814 6.938 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.538 -11.602 6.481 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.295 -10.105 8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.886 -10.660 9.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.784 -11.917 9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.152 -12.803 9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.832 -12.643 8.289 1.00 0.00 H new ATOM 1467 N VAL A 95 -6.077 -7.274 3.997 1.00 0.00 N ATOM 1468 CA VAL A 95 -5.355 -6.042 4.293 1.00 0.00 C ATOM 1469 C VAL A 95 -6.044 -4.848 3.635 1.00 0.00 C ATOM 1470 O VAL A 95 -6.185 -3.783 4.236 1.00 0.00 O ATOM 1471 CB VAL A 95 -3.892 -6.138 3.802 1.00 0.00 C ATOM 1472 CG1 VAL A 95 -3.148 -4.831 4.011 1.00 0.00 C ATOM 1473 CG2 VAL A 95 -3.174 -7.276 4.506 1.00 0.00 C ATOM 0 H VAL A 95 -5.554 -7.934 3.422 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.355 -5.900 5.374 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.911 -6.340 2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.123 -4.935 3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.646 -4.036 3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.140 -4.583 5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.145 -7.332 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.177 -7.098 5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.683 -8.215 4.292 1.00 0.00 H new ATOM 1483 N ILE A 96 -6.480 -5.043 2.399 1.00 0.00 N ATOM 1484 CA ILE A 96 -7.208 -4.016 1.666 1.00 0.00 C ATOM 1485 C ILE A 96 -8.523 -3.687 2.367 1.00 0.00 C ATOM 1486 O ILE A 96 -8.832 -2.522 2.615 1.00 0.00 O ATOM 1487 CB ILE A 96 -7.483 -4.469 0.218 1.00 0.00 C ATOM 1488 CG1 ILE A 96 -6.154 -4.726 -0.494 1.00 0.00 C ATOM 1489 CG2 ILE A 96 -8.307 -3.429 -0.530 1.00 0.00 C ATOM 1490 CD1 ILE A 96 -6.308 -5.281 -1.889 1.00 0.00 C ATOM 0 H ILE A 96 -6.341 -5.909 1.879 1.00 0.00 H new ATOM 0 HA ILE A 96 -6.589 -3.119 1.639 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.061 -5.393 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.593 -3.793 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.562 -5.422 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.488 -3.772 -1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.260 -3.285 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.764 -2.484 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.323 -5.437 -2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -6.841 -6.231 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -6.872 -4.576 -2.501 1.00 0.00 H new ATOM 1502 N ASN A 97 -9.276 -4.723 2.718 1.00 0.00 N ATOM 1503 CA ASN A 97 -10.544 -4.543 3.419 1.00 0.00 C ATOM 1504 C ASN A 97 -10.330 -3.894 4.784 1.00 0.00 C ATOM 1505 O ASN A 97 -11.219 -3.224 5.301 1.00 0.00 O ATOM 1506 CB ASN A 97 -11.272 -5.878 3.588 1.00 0.00 C ATOM 1507 CG ASN A 97 -12.055 -6.285 2.354 1.00 0.00 C ATOM 1508 OD1 ASN A 97 -13.221 -5.928 2.200 1.00 0.00 O ATOM 1509 ND2 ASN A 97 -11.429 -7.045 1.470 1.00 0.00 N ATOM 0 H ASN A 97 -9.032 -5.695 2.530 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.161 -3.882 2.811 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.545 -6.655 3.823 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.952 -5.810 4.437 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.915 -7.354 0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.461 -7.322 1.631 1.00 0.00 H new ATOM 1516 N ALA A 98 -9.144 -4.087 5.359 1.00 0.00 N ATOM 1517 CA ALA A 98 -8.813 -3.492 6.651 1.00 0.00 C ATOM 1518 C ALA A 98 -8.772 -1.972 6.548 1.00 0.00 C ATOM 1519 O ALA A 98 -9.209 -1.268 7.459 1.00 0.00 O ATOM 1520 CB ALA A 98 -7.487 -4.029 7.170 1.00 0.00 C ATOM 0 H ALA A 98 -8.398 -4.650 4.951 1.00 0.00 H new ATOM 0 HA ALA A 98 -9.593 -3.767 7.361 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.261 -3.572 8.133 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.554 -5.110 7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.695 -3.790 6.460 1.00 0.00 H new ATOM 1526 N ALA A 99 -8.260 -1.473 5.426 1.00 0.00 N ATOM 1527 CA ALA A 99 -8.228 -0.040 5.172 1.00 0.00 C ATOM 1528 C ALA A 99 -9.648 0.487 4.988 1.00 0.00 C ATOM 1529 O ALA A 99 -10.000 1.559 5.479 1.00 0.00 O ATOM 1530 CB ALA A 99 -7.380 0.264 3.944 1.00 0.00 C ATOM 0 H ALA A 99 -7.862 -2.042 4.679 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.777 0.460 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.367 1.340 3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.362 -0.089 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.804 -0.240 3.075 1.00 0.00 H new ATOM 1536 N LEU A 100 -10.466 -0.296 4.290 1.00 0.00 N ATOM 1537 CA LEU A 100 -11.871 0.039 4.078 1.00 0.00 C ATOM 1538 C LEU A 100 -12.642 0.003 5.393 1.00 0.00 C ATOM 1539 O LEU A 100 -13.602 0.750 5.585 1.00 0.00 O ATOM 1540 CB LEU A 100 -12.503 -0.933 3.076 1.00 0.00 C ATOM 1541 CG LEU A 100 -12.259 -0.631 1.591 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -12.950 0.661 1.187 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -10.774 -0.551 1.269 1.00 0.00 C ATOM 0 H LEU A 100 -10.177 -1.174 3.858 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.922 1.050 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.128 -1.935 3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.579 -0.952 3.249 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.682 -1.456 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.765 0.858 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -14.023 0.568 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.558 1.485 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.643 -0.336 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.316 0.242 1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.298 -1.502 1.508 1.00 0.00 H new ATOM 1555 N ALA A 101 -12.205 -0.859 6.300 1.00 0.00 N ATOM 1556 CA ALA A 101 -12.840 -0.999 7.605 1.00 0.00 C ATOM 1557 C ALA A 101 -12.627 0.244 8.461 1.00 0.00 C ATOM 1558 O ALA A 101 -13.336 0.459 9.443 1.00 0.00 O ATOM 1559 CB ALA A 101 -12.314 -2.234 8.320 1.00 0.00 C ATOM 0 H ALA A 101 -11.407 -1.477 6.155 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.912 -1.115 7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.797 -2.325 9.293 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -12.530 -3.120 7.723 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.236 -2.144 8.457 1.00 0.00 H new ATOM 1565 N LEU A 102 -11.653 1.061 8.086 1.00 0.00 N ATOM 1566 CA LEU A 102 -11.368 2.285 8.819 1.00 0.00 C ATOM 1567 C LEU A 102 -12.351 3.388 8.443 1.00 0.00 C ATOM 1568 O LEU A 102 -12.761 4.181 9.291 1.00 0.00 O ATOM 1569 CB LEU A 102 -9.935 2.749 8.543 1.00 0.00 C ATOM 1570 CG LEU A 102 -8.841 1.750 8.921 1.00 0.00 C ATOM 1571 CD1 LEU A 102 -7.475 2.293 8.537 1.00 0.00 C ATOM 1572 CD2 LEU A 102 -8.892 1.437 10.410 1.00 0.00 C ATOM 0 H LEU A 102 -11.049 0.899 7.281 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.477 2.073 9.883 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.843 2.979 7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.760 3.677 9.087 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.013 0.825 8.372 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.706 1.571 8.812 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.442 2.467 7.461 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.296 3.232 9.062 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.106 0.724 10.659 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.744 2.354 10.980 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.863 1.008 10.659 1.00 0.00 H new ATOM 1584 N ILE A 103 -12.735 3.431 7.172 1.00 0.00 N ATOM 1585 CA ILE A 103 -13.603 4.495 6.680 1.00 0.00 C ATOM 1586 C ILE A 103 -15.071 4.071 6.645 1.00 0.00 C ATOM 1587 O ILE A 103 -15.944 4.805 7.103 1.00 0.00 O ATOM 1588 CB ILE A 103 -13.168 4.990 5.279 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -13.039 3.818 4.297 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -11.853 5.753 5.373 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -12.721 4.245 2.879 1.00 0.00 C ATOM 0 H ILE A 103 -12.461 2.746 6.467 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.502 5.318 7.387 1.00 0.00 H new ATOM 0 HB ILE A 103 -13.938 5.663 4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.257 3.145 4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.970 3.252 4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.559 6.095 4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.978 6.613 6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.080 5.098 5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -12.645 3.364 2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.514 4.894 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -11.774 4.785 2.865 1.00 0.00 H new ATOM 1603 N ASP A 104 -15.342 2.888 6.111 1.00 0.00 N ATOM 1604 CA ASP A 104 -16.716 2.411 5.980 1.00 0.00 C ATOM 1605 C ASP A 104 -16.996 1.268 6.939 1.00 0.00 C ATOM 1606 O ASP A 104 -18.100 1.150 7.470 1.00 0.00 O ATOM 1607 CB ASP A 104 -16.990 1.918 4.558 1.00 0.00 C ATOM 1608 CG ASP A 104 -17.068 3.024 3.529 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -17.905 3.936 3.685 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -16.311 2.969 2.537 1.00 0.00 O ATOM 0 H ASP A 104 -14.634 2.242 5.762 1.00 0.00 H new ATOM 0 HA ASP A 104 -17.366 3.254 6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -16.204 1.221 4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -17.928 1.362 4.551 1.00 0.00 H new ATOM 1615 N GLU A 105 -15.979 0.438 7.145 1.00 0.00 N ATOM 1616 CA GLU A 105 -16.112 -0.823 7.873 1.00 0.00 C ATOM 1617 C GLU A 105 -17.062 -1.754 7.123 1.00 0.00 C ATOM 1618 O GLU A 105 -18.208 -1.971 7.526 1.00 0.00 O ATOM 1619 CB GLU A 105 -16.574 -0.612 9.322 1.00 0.00 C ATOM 1620 CG GLU A 105 -16.375 -1.846 10.191 1.00 0.00 C ATOM 1621 CD GLU A 105 -16.805 -1.644 11.628 1.00 0.00 C ATOM 1622 OE1 GLU A 105 -16.042 -1.030 12.400 1.00 0.00 O ATOM 1623 OE2 GLU A 105 -17.898 -2.121 11.997 1.00 0.00 O ATOM 0 H GLU A 105 -15.033 0.620 6.810 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.126 -1.285 7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -16.025 0.224 9.755 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -17.629 -0.337 9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -16.938 -2.676 9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.323 -2.130 10.171 1.00 0.00 H new ATOM 1630 N LYS A 106 -16.572 -2.271 6.005 1.00 0.00 N ATOM 1631 CA LYS A 106 -17.352 -3.131 5.130 1.00 0.00 C ATOM 1632 C LYS A 106 -16.488 -4.286 4.641 1.00 0.00 C ATOM 1633 O LYS A 106 -16.689 -5.430 5.100 1.00 0.00 O ATOM 1634 CB LYS A 106 -17.877 -2.334 3.929 1.00 0.00 C ATOM 1635 CG LYS A 106 -18.945 -1.308 4.274 1.00 0.00 C ATOM 1636 CD LYS A 106 -19.164 -0.320 3.134 1.00 0.00 C ATOM 1637 CE LYS A 106 -19.527 -1.014 1.829 1.00 0.00 C ATOM 1638 NZ LYS A 106 -19.674 -0.042 0.712 1.00 0.00 N ATOM 1639 OXT LYS A 106 -15.596 -4.040 3.809 1.00 0.00 O ATOM 0 H LYS A 106 -15.620 -2.105 5.680 1.00 0.00 H new ATOM 0 HA LYS A 106 -18.201 -3.524 5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -17.040 -1.823 3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -18.283 -3.031 3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -19.882 -1.818 4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -18.653 -0.767 5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -19.958 0.375 3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -18.259 0.271 2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -18.757 -1.743 1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -20.459 -1.565 1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -19.921 -0.551 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -20.426 0.639 0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -18.777 0.466 0.574 1.00 0.00 H new TER 1653 LYS A 106