USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 948 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 13 THR OG1 : rot 180:sc= -1.24 USER MOD Set 1.2: A 16 ASN : amide:sc= -3.89 K(o=-5.1,f=-8.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.393 K(o=0.39,f=-2.3!) USER MOD Single : A 26 MET CE :methyl -169:sc= -0.0158 (180deg=-0.19) USER MOD Single : A 30 TYR OH : rot -58:sc= 0.34 USER MOD Single : A 34 CYS SG : rot 180:sc= -0.596 USER MOD Single : A 37 CYS SG : rot 150:sc= -1.8 USER MOD Single : A 38 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.61) USER MOD Single : A 39 ASN : amide:sc= -0.0527 K(o=-0.053,f=-0.65) USER MOD Single : A 41 GLN :FLIP amide:sc= -1.02! C(o=-1.5!,f=-1!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.21) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -82:sc= 0.65 USER MOD Single : A 66 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.53) USER MOD Single : A 70 SER OG : rot 77:sc= 1.29 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.212 F(o=-1.6!,f=-0.21) USER MOD Single : A 80 THR OG1 : rot 126:sc= 1.12 USER MOD Single : A 82 TYR OH : rot -158:sc= 0.463 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot 111:sc= -2.48 USER MOD Single : A 85 LYS NZ :NH3+ -169:sc= -0.0293 (180deg=-0.193) USER MOD Single : A 92 TYR OH : rot -116:sc= 0.373 USER MOD Single : A 93 GLN : amide:sc= -0.0102 K(o=-0.01,f=-1.3) USER MOD Single : A 97 THR OG1 : rot 158:sc= -1.45 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -3.31! C(o=-3.3!,f=-5.5!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 168:sc= 0.357! (180deg=-0.0265!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.942 -16.676 8.677 1.00 0.00 N ATOM 2 CA GLY A 1 -7.267 -16.952 8.152 1.00 0.00 C ATOM 3 C GLY A 1 -7.576 -16.147 6.906 1.00 0.00 C ATOM 4 O GLY A 1 -7.654 -14.919 6.956 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.779 -17.251 9.528 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.228 -16.911 7.958 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.868 -15.668 8.921 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.350 -18.015 7.924 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.011 -16.731 8.917 1.00 0.00 H new ATOM 8 N SER A 2 -7.751 -16.838 5.784 1.00 0.00 N ATOM 9 CA SER A 2 -8.048 -16.179 4.518 1.00 0.00 C ATOM 10 C SER A 2 -9.145 -15.133 4.694 1.00 0.00 C ATOM 11 O SER A 2 -10.332 -15.460 4.710 1.00 0.00 O ATOM 12 CB SER A 2 -8.473 -17.209 3.470 1.00 0.00 C ATOM 13 OG SER A 2 -8.584 -16.616 2.188 1.00 0.00 O ATOM 0 H SER A 2 -7.692 -17.855 5.726 1.00 0.00 H new ATOM 0 HA SER A 2 -7.143 -15.677 4.177 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.746 -18.020 3.437 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.429 -17.649 3.755 1.00 0.00 H new ATOM 0 HG SER A 2 -8.855 -17.295 1.536 1.00 0.00 H new ATOM 19 N SER A 3 -8.738 -13.875 4.826 1.00 0.00 N ATOM 20 CA SER A 3 -9.685 -12.780 5.005 1.00 0.00 C ATOM 21 C SER A 3 -9.603 -11.796 3.843 1.00 0.00 C ATOM 22 O SER A 3 -8.807 -10.859 3.864 1.00 0.00 O ATOM 23 CB SER A 3 -9.414 -12.054 6.324 1.00 0.00 C ATOM 24 OG SER A 3 -10.329 -10.989 6.517 1.00 0.00 O ATOM 0 H SER A 3 -7.759 -13.588 4.812 1.00 0.00 H new ATOM 0 HA SER A 3 -10.690 -13.202 5.031 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.490 -12.758 7.153 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.395 -11.667 6.327 1.00 0.00 H new ATOM 0 HG SER A 3 -10.136 -10.542 7.367 1.00 0.00 H new ATOM 30 N GLY A 4 -10.435 -12.016 2.829 1.00 0.00 N ATOM 31 CA GLY A 4 -10.441 -11.141 1.671 1.00 0.00 C ATOM 32 C GLY A 4 -11.699 -11.289 0.839 1.00 0.00 C ATOM 33 O GLY A 4 -11.635 -11.649 -0.336 1.00 0.00 O ATOM 0 H GLY A 4 -11.105 -12.784 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.347 -10.106 2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.571 -11.358 1.051 1.00 0.00 H new ATOM 37 N SER A 5 -12.847 -11.014 1.450 1.00 0.00 N ATOM 38 CA SER A 5 -14.127 -11.124 0.759 1.00 0.00 C ATOM 39 C SER A 5 -14.209 -10.127 -0.393 1.00 0.00 C ATOM 40 O SER A 5 -14.357 -10.513 -1.553 1.00 0.00 O ATOM 41 CB SER A 5 -15.280 -10.888 1.736 1.00 0.00 C ATOM 42 OG SER A 5 -15.507 -12.031 2.542 1.00 0.00 O ATOM 0 H SER A 5 -12.917 -10.713 2.422 1.00 0.00 H new ATOM 0 HA SER A 5 -14.207 -12.132 0.351 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.054 -10.031 2.370 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.186 -10.644 1.182 1.00 0.00 H new ATOM 0 HG SER A 5 -16.248 -11.854 3.159 1.00 0.00 H new ATOM 48 N SER A 6 -14.113 -8.843 -0.065 1.00 0.00 N ATOM 49 CA SER A 6 -14.181 -7.790 -1.071 1.00 0.00 C ATOM 50 C SER A 6 -13.292 -6.611 -0.684 1.00 0.00 C ATOM 51 O SER A 6 -13.330 -6.137 0.450 1.00 0.00 O ATOM 52 CB SER A 6 -15.625 -7.317 -1.248 1.00 0.00 C ATOM 53 OG SER A 6 -15.709 -6.286 -2.217 1.00 0.00 O ATOM 0 H SER A 6 -13.988 -8.507 0.890 1.00 0.00 H new ATOM 0 HA SER A 6 -13.822 -8.200 -2.015 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.251 -8.156 -1.550 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.012 -6.957 -0.295 1.00 0.00 H new ATOM 0 HG SER A 6 -16.642 -6.002 -2.313 1.00 0.00 H new ATOM 59 N GLY A 7 -12.492 -6.144 -1.637 1.00 0.00 N ATOM 60 CA GLY A 7 -11.604 -5.025 -1.378 1.00 0.00 C ATOM 61 C GLY A 7 -10.328 -5.448 -0.677 1.00 0.00 C ATOM 62 O GLY A 7 -10.164 -5.214 0.519 1.00 0.00 O ATOM 0 H GLY A 7 -12.443 -6.520 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.353 -4.539 -2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.123 -4.287 -0.767 1.00 0.00 H new ATOM 66 N ASN A 8 -9.424 -6.073 -1.424 1.00 0.00 N ATOM 67 CA ASN A 8 -8.157 -6.532 -0.866 1.00 0.00 C ATOM 68 C ASN A 8 -7.486 -5.424 -0.059 1.00 0.00 C ATOM 69 O ASN A 8 -6.738 -5.693 0.882 1.00 0.00 O ATOM 70 CB ASN A 8 -7.224 -7.001 -1.983 1.00 0.00 C ATOM 71 CG ASN A 8 -7.937 -7.861 -3.009 1.00 0.00 C ATOM 72 OD1 ASN A 8 -8.708 -7.360 -3.827 1.00 0.00 O ATOM 73 ND2 ASN A 8 -7.681 -9.164 -2.969 1.00 0.00 N ATOM 0 H ASN A 8 -9.545 -6.273 -2.417 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.364 -7.369 -0.199 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.790 -6.133 -2.479 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.399 -7.566 -1.550 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.131 -9.793 -3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.034 -9.536 -2.273 1.00 0.00 H new ATOM 80 N VAL A 9 -7.759 -4.178 -0.433 1.00 0.00 N ATOM 81 CA VAL A 9 -7.183 -3.030 0.257 1.00 0.00 C ATOM 82 C VAL A 9 -8.042 -2.616 1.447 1.00 0.00 C ATOM 83 O VAL A 9 -9.267 -2.544 1.346 1.00 0.00 O ATOM 84 CB VAL A 9 -7.026 -1.827 -0.692 1.00 0.00 C ATOM 85 CG1 VAL A 9 -6.423 -0.641 0.045 1.00 0.00 C ATOM 86 CG2 VAL A 9 -6.176 -2.205 -1.896 1.00 0.00 C ATOM 0 H VAL A 9 -8.375 -3.938 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.199 -3.335 0.612 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.014 -1.538 -1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.320 0.199 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.074 -0.357 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.442 -0.915 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.076 -1.343 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.189 -2.521 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.654 -3.022 -2.437 1.00 0.00 H new ATOM 96 N ARG A 10 -7.391 -2.345 2.573 1.00 0.00 N ATOM 97 CA ARG A 10 -8.095 -1.939 3.784 1.00 0.00 C ATOM 98 C ARG A 10 -8.011 -0.428 3.980 1.00 0.00 C ATOM 99 O ARG A 10 -7.037 0.208 3.579 1.00 0.00 O ATOM 100 CB ARG A 10 -7.511 -2.656 5.003 1.00 0.00 C ATOM 101 CG ARG A 10 -8.024 -4.076 5.178 1.00 0.00 C ATOM 102 CD ARG A 10 -9.277 -4.114 6.039 1.00 0.00 C ATOM 103 NE ARG A 10 -10.100 -5.287 5.756 1.00 0.00 N ATOM 104 CZ ARG A 10 -11.359 -5.415 6.157 1.00 0.00 C ATOM 105 NH1 ARG A 10 -11.938 -4.447 6.854 1.00 0.00 N ATOM 106 NH2 ARG A 10 -12.043 -6.513 5.861 1.00 0.00 N ATOM 0 H ARG A 10 -6.377 -2.399 2.672 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.144 -2.216 3.676 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.425 -2.679 4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.745 -2.081 5.899 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.239 -4.509 4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.248 -4.690 5.635 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.994 -4.115 7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.862 -3.211 5.868 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.685 -6.050 5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.416 -3.601 7.083 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.906 -4.548 7.161 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.601 -7.260 5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.010 -6.610 6.170 1.00 0.00 H new ATOM 120 N VAL A 11 -9.041 0.141 4.600 1.00 0.00 N ATOM 121 CA VAL A 11 -9.084 1.576 4.850 1.00 0.00 C ATOM 122 C VAL A 11 -8.793 1.888 6.314 1.00 0.00 C ATOM 123 O VAL A 11 -9.683 1.817 7.163 1.00 0.00 O ATOM 124 CB VAL A 11 -10.454 2.171 4.472 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.519 3.643 4.849 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.726 1.979 2.988 1.00 0.00 C ATOM 0 H VAL A 11 -9.856 -0.371 4.938 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.314 2.029 4.225 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.227 1.644 5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.494 4.046 4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.371 3.750 5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.738 4.189 4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.698 2.405 2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.950 2.479 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.725 0.915 2.753 1.00 0.00 H new ATOM 136 N ILE A 12 -7.543 2.233 6.603 1.00 0.00 N ATOM 137 CA ILE A 12 -7.136 2.557 7.964 1.00 0.00 C ATOM 138 C ILE A 12 -7.535 3.982 8.333 1.00 0.00 C ATOM 139 O ILE A 12 -7.292 4.923 7.576 1.00 0.00 O ATOM 140 CB ILE A 12 -5.615 2.398 8.150 1.00 0.00 C ATOM 141 CG1 ILE A 12 -5.203 0.941 7.931 1.00 0.00 C ATOM 142 CG2 ILE A 12 -5.199 2.869 9.535 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.679 0.007 9.022 1.00 0.00 C ATOM 0 H ILE A 12 -6.795 2.295 5.913 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.650 1.856 8.622 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.106 3.015 7.410 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.598 0.600 6.974 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.116 0.885 7.865 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.122 2.750 9.651 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.464 3.919 9.657 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.713 2.275 10.291 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.351 -1.008 8.801 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.262 0.323 9.979 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.767 0.033 9.074 1.00 0.00 H new ATOM 155 N THR A 13 -8.148 4.136 9.503 1.00 0.00 N ATOM 156 CA THR A 13 -8.580 5.445 9.973 1.00 0.00 C ATOM 157 C THR A 13 -7.674 5.956 11.087 1.00 0.00 C ATOM 158 O THR A 13 -6.659 5.337 11.408 1.00 0.00 O ATOM 159 CB THR A 13 -10.033 5.407 10.485 1.00 0.00 C ATOM 160 OG1 THR A 13 -10.153 4.453 11.546 1.00 0.00 O ATOM 161 CG2 THR A 13 -10.993 5.048 9.361 1.00 0.00 C ATOM 0 H THR A 13 -8.356 3.369 10.142 1.00 0.00 H new ATOM 0 HA THR A 13 -8.520 6.122 9.121 1.00 0.00 H new ATOM 0 HB THR A 13 -10.290 6.398 10.858 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.079 4.435 11.867 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.013 5.027 9.746 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.920 5.792 8.568 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.736 4.067 8.962 1.00 0.00 H new ATOM 169 N ASP A 14 -8.047 7.088 11.675 1.00 0.00 N ATOM 170 CA ASP A 14 -7.268 7.681 12.755 1.00 0.00 C ATOM 171 C ASP A 14 -7.341 6.821 14.013 1.00 0.00 C ATOM 172 O ASP A 14 -6.724 7.139 15.030 1.00 0.00 O ATOM 173 CB ASP A 14 -7.770 9.094 13.058 1.00 0.00 C ATOM 174 CG ASP A 14 -9.276 9.151 13.221 1.00 0.00 C ATOM 175 OD1 ASP A 14 -9.872 8.119 13.595 1.00 0.00 O ATOM 176 OD2 ASP A 14 -9.859 10.227 12.976 1.00 0.00 O ATOM 0 H ASP A 14 -8.884 7.613 11.421 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.228 7.735 12.433 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.295 9.458 13.969 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.469 9.764 12.252 1.00 0.00 H new ATOM 181 N GLU A 15 -8.099 5.732 13.936 1.00 0.00 N ATOM 182 CA GLU A 15 -8.254 4.828 15.070 1.00 0.00 C ATOM 183 C GLU A 15 -7.692 3.447 14.745 1.00 0.00 C ATOM 184 O GLU A 15 -7.058 2.810 15.586 1.00 0.00 O ATOM 185 CB GLU A 15 -9.728 4.712 15.461 1.00 0.00 C ATOM 186 CG GLU A 15 -10.181 5.771 16.452 1.00 0.00 C ATOM 187 CD GLU A 15 -11.599 5.546 16.939 1.00 0.00 C ATOM 188 OE1 GLU A 15 -11.822 4.579 17.696 1.00 0.00 O ATOM 189 OE2 GLU A 15 -12.488 6.339 16.561 1.00 0.00 O ATOM 0 H GLU A 15 -8.615 5.454 13.101 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.695 5.241 15.910 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.340 4.783 14.562 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.905 3.726 15.890 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.504 5.777 17.306 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.113 6.753 15.985 1.00 0.00 H new ATOM 196 N ASN A 16 -7.930 2.991 13.520 1.00 0.00 N ATOM 197 CA ASN A 16 -7.449 1.686 13.083 1.00 0.00 C ATOM 198 C ASN A 16 -5.928 1.606 13.178 1.00 0.00 C ATOM 199 O ASN A 16 -5.364 0.531 13.383 1.00 0.00 O ATOM 200 CB ASN A 16 -7.897 1.408 11.647 1.00 0.00 C ATOM 201 CG ASN A 16 -9.367 1.708 11.431 1.00 0.00 C ATOM 202 OD1 ASN A 16 -10.081 2.072 12.366 1.00 0.00 O ATOM 203 ND2 ASN A 16 -9.827 1.557 10.195 1.00 0.00 N ATOM 0 H ASN A 16 -8.453 3.506 12.812 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.876 0.930 13.742 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.302 2.010 10.961 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.703 0.363 11.405 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.808 1.745 9.990 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.199 1.253 9.451 1.00 0.00 H new ATOM 210 N TRP A 17 -5.271 2.751 13.028 1.00 0.00 N ATOM 211 CA TRP A 17 -3.816 2.811 13.098 1.00 0.00 C ATOM 212 C TRP A 17 -3.281 1.857 14.160 1.00 0.00 C ATOM 213 O TRP A 17 -2.321 1.124 13.922 1.00 0.00 O ATOM 214 CB TRP A 17 -3.358 4.239 13.401 1.00 0.00 C ATOM 215 CG TRP A 17 -3.318 4.552 14.866 1.00 0.00 C ATOM 216 CD1 TRP A 17 -4.239 5.265 15.577 1.00 0.00 C ATOM 217 CD2 TRP A 17 -2.303 4.162 15.798 1.00 0.00 C ATOM 218 NE1 TRP A 17 -3.859 5.343 16.895 1.00 0.00 N ATOM 219 CE2 TRP A 17 -2.674 4.674 17.056 1.00 0.00 C ATOM 220 CE3 TRP A 17 -1.117 3.430 15.692 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -1.902 4.476 18.198 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -0.351 3.235 16.825 1.00 0.00 C ATOM 223 CH2 TRP A 17 -0.746 3.755 18.065 1.00 0.00 C ATOM 0 H TRP A 17 -5.723 3.649 12.857 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.418 2.506 12.130 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.366 4.392 12.977 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.028 4.941 12.905 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.135 5.704 15.164 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.375 5.821 17.634 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.805 3.024 14.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -2.204 4.877 19.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 0.568 2.672 16.754 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.126 3.584 18.933 1.00 0.00 H new ATOM 234 N ARG A 18 -3.909 1.871 15.332 1.00 0.00 N ATOM 235 CA ARG A 18 -3.495 1.006 16.430 1.00 0.00 C ATOM 236 C ARG A 18 -3.254 -0.418 15.940 1.00 0.00 C ATOM 237 O ARG A 18 -2.209 -1.009 16.212 1.00 0.00 O ATOM 238 CB ARG A 18 -4.555 1.005 17.533 1.00 0.00 C ATOM 239 CG ARG A 18 -4.414 2.157 18.515 1.00 0.00 C ATOM 240 CD ARG A 18 -3.260 1.930 19.478 1.00 0.00 C ATOM 241 NE ARG A 18 -3.332 2.817 20.637 1.00 0.00 N ATOM 242 CZ ARG A 18 -4.077 2.568 21.708 1.00 0.00 C ATOM 243 NH1 ARG A 18 -4.810 1.465 21.767 1.00 0.00 N ATOM 244 NH2 ARG A 18 -4.090 3.423 22.722 1.00 0.00 N ATOM 0 H ARG A 18 -4.706 2.471 15.545 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.560 1.395 16.833 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.543 1.048 17.075 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.497 0.064 18.080 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.255 3.086 17.967 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.341 2.273 19.077 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.267 0.893 19.814 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.316 2.090 18.957 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.780 3.674 20.623 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.803 0.806 20.989 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.381 1.276 22.590 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.527 4.273 22.680 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.663 3.231 23.544 1.00 0.00 H new ATOM 258 N GLU A 19 -4.227 -0.963 15.217 1.00 0.00 N ATOM 259 CA GLU A 19 -4.120 -2.318 14.690 1.00 0.00 C ATOM 260 C GLU A 19 -2.779 -2.527 13.993 1.00 0.00 C ATOM 261 O GLU A 19 -2.253 -3.640 13.953 1.00 0.00 O ATOM 262 CB GLU A 19 -5.264 -2.602 13.715 1.00 0.00 C ATOM 263 CG GLU A 19 -6.549 -3.042 14.396 1.00 0.00 C ATOM 264 CD GLU A 19 -6.544 -4.516 14.755 1.00 0.00 C ATOM 265 OE1 GLU A 19 -6.099 -4.853 15.872 1.00 0.00 O ATOM 266 OE2 GLU A 19 -6.986 -5.331 13.918 1.00 0.00 O ATOM 0 H GLU A 19 -5.098 -0.487 14.983 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.186 -3.012 15.528 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.462 -1.704 13.129 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.950 -3.376 13.015 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.697 -2.452 15.301 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.394 -2.835 13.739 1.00 0.00 H new ATOM 273 N LEU A 20 -2.231 -1.449 13.443 1.00 0.00 N ATOM 274 CA LEU A 20 -0.951 -1.512 12.746 1.00 0.00 C ATOM 275 C LEU A 20 0.158 -1.975 13.684 1.00 0.00 C ATOM 276 O LEU A 20 1.080 -2.682 13.273 1.00 0.00 O ATOM 277 CB LEU A 20 -0.599 -0.143 12.159 1.00 0.00 C ATOM 278 CG LEU A 20 -1.668 0.503 11.277 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.270 1.925 10.911 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.899 -0.327 10.023 1.00 0.00 C ATOM 0 H LEU A 20 -2.653 -0.521 13.466 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.042 -2.236 11.936 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.376 0.536 12.982 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.314 -0.245 11.573 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.601 0.541 11.840 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.043 2.369 10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.157 2.516 11.820 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.325 1.910 10.368 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.663 0.148 9.408 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.970 -0.398 9.457 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.230 -1.327 10.304 1.00 0.00 H new ATOM 292 N LEU A 21 0.062 -1.575 14.948 1.00 0.00 N ATOM 293 CA LEU A 21 1.057 -1.952 15.947 1.00 0.00 C ATOM 294 C LEU A 21 1.222 -3.467 16.007 1.00 0.00 C ATOM 295 O LEU A 21 2.316 -3.972 16.255 1.00 0.00 O ATOM 296 CB LEU A 21 0.655 -1.416 17.322 1.00 0.00 C ATOM 297 CG LEU A 21 0.532 0.103 17.441 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.134 0.484 18.753 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.901 0.759 17.326 1.00 0.00 C ATOM 0 H LEU A 21 -0.694 -0.990 15.305 1.00 0.00 H new ATOM 0 HA LEU A 21 2.012 -1.513 15.657 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.301 -1.860 17.597 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.388 -1.759 18.052 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.092 0.463 16.623 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.213 1.569 18.819 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.131 0.045 18.796 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.463 0.112 19.586 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.795 1.840 17.413 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.548 0.393 18.123 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.342 0.514 16.360 1.00 0.00 H new ATOM 311 N GLU A 22 0.128 -4.186 15.776 1.00 0.00 N ATOM 312 CA GLU A 22 0.153 -5.644 15.802 1.00 0.00 C ATOM 313 C GLU A 22 0.054 -6.216 14.391 1.00 0.00 C ATOM 314 O GLU A 22 -0.651 -5.676 13.539 1.00 0.00 O ATOM 315 CB GLU A 22 -0.993 -6.180 16.663 1.00 0.00 C ATOM 316 CG GLU A 22 -2.357 -5.644 16.263 1.00 0.00 C ATOM 317 CD GLU A 22 -2.852 -6.228 14.953 1.00 0.00 C ATOM 318 OE1 GLU A 22 -2.434 -7.354 14.611 1.00 0.00 O ATOM 319 OE2 GLU A 22 -3.655 -5.559 14.271 1.00 0.00 O ATOM 0 H GLU A 22 -0.786 -3.783 15.569 1.00 0.00 H new ATOM 0 HA GLU A 22 1.102 -5.958 16.236 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.006 -7.268 16.599 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.803 -5.925 17.706 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.076 -5.867 17.051 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.306 -4.559 16.176 1.00 0.00 H new ATOM 326 N GLY A 23 0.766 -7.312 14.152 1.00 0.00 N ATOM 327 CA GLY A 23 0.746 -7.939 12.843 1.00 0.00 C ATOM 328 C GLY A 23 1.319 -7.044 11.762 1.00 0.00 C ATOM 329 O GLY A 23 1.576 -5.863 11.997 1.00 0.00 O ATOM 0 H GLY A 23 1.357 -7.777 14.841 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.315 -8.868 12.880 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.280 -8.203 12.586 1.00 0.00 H new ATOM 333 N ASP A 24 1.521 -7.607 10.576 1.00 0.00 N ATOM 334 CA ASP A 24 2.068 -6.852 9.455 1.00 0.00 C ATOM 335 C ASP A 24 0.990 -5.991 8.802 1.00 0.00 C ATOM 336 O ASP A 24 -0.160 -6.411 8.674 1.00 0.00 O ATOM 337 CB ASP A 24 2.676 -7.801 8.421 1.00 0.00 C ATOM 338 CG ASP A 24 3.885 -8.543 8.957 1.00 0.00 C ATOM 339 OD1 ASP A 24 4.500 -8.051 9.926 1.00 0.00 O ATOM 340 OD2 ASP A 24 4.215 -9.614 8.407 1.00 0.00 O ATOM 0 H ASP A 24 1.314 -8.584 10.366 1.00 0.00 H new ATOM 0 HA ASP A 24 2.850 -6.196 9.838 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.921 -8.522 8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.964 -7.233 7.536 1.00 0.00 H new ATOM 345 N TRP A 25 1.371 -4.786 8.392 1.00 0.00 N ATOM 346 CA TRP A 25 0.436 -3.866 7.754 1.00 0.00 C ATOM 347 C TRP A 25 1.147 -2.998 6.721 1.00 0.00 C ATOM 348 O TRP A 25 2.111 -2.304 7.040 1.00 0.00 O ATOM 349 CB TRP A 25 -0.239 -2.983 8.803 1.00 0.00 C ATOM 350 CG TRP A 25 -1.302 -3.695 9.585 1.00 0.00 C ATOM 351 CD1 TRP A 25 -1.119 -4.496 10.676 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.711 -3.672 9.334 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.329 -4.972 11.118 1.00 0.00 N ATOM 354 CE2 TRP A 25 -3.322 -4.480 10.312 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.517 -3.045 8.379 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.699 -4.678 10.360 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.883 -3.243 8.428 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.464 -4.053 9.413 1.00 0.00 C ATOM 0 H TRP A 25 2.319 -4.424 8.490 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.325 -4.456 7.243 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.517 -2.606 9.491 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.680 -2.117 8.309 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -0.163 -4.722 11.125 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.466 -5.591 11.917 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -3.079 -2.417 7.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.148 -5.303 11.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.515 -2.765 7.694 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.536 -4.186 9.425 1.00 0.00 H new ATOM 369 N MET A 26 0.664 -3.042 5.484 1.00 0.00 N ATOM 370 CA MET A 26 1.254 -2.258 4.406 1.00 0.00 C ATOM 371 C MET A 26 0.415 -1.017 4.115 1.00 0.00 C ATOM 372 O MET A 26 -0.704 -1.117 3.611 1.00 0.00 O ATOM 373 CB MET A 26 1.385 -3.107 3.140 1.00 0.00 C ATOM 374 CG MET A 26 2.694 -3.874 3.056 1.00 0.00 C ATOM 375 SD MET A 26 4.131 -2.788 2.974 1.00 0.00 S ATOM 376 CE MET A 26 4.392 -2.704 1.204 1.00 0.00 C ATOM 0 H MET A 26 -0.134 -3.612 5.203 1.00 0.00 H new ATOM 0 HA MET A 26 2.246 -1.939 4.724 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.556 -3.814 3.099 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.296 -2.460 2.267 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.785 -4.526 3.925 1.00 0.00 H new ATOM 0 HG3 MET A 26 2.678 -4.517 2.176 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.354 -2.233 1.000 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.385 -3.711 0.787 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.596 -2.116 0.746 1.00 0.00 H new ATOM 386 N ILE A 27 0.963 0.150 4.436 1.00 0.00 N ATOM 387 CA ILE A 27 0.265 1.410 4.208 1.00 0.00 C ATOM 388 C ILE A 27 0.896 2.188 3.058 1.00 0.00 C ATOM 389 O ILE A 27 2.115 2.182 2.888 1.00 0.00 O ATOM 390 CB ILE A 27 0.266 2.291 5.471 1.00 0.00 C ATOM 391 CG1 ILE A 27 -0.174 1.475 6.689 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.644 3.495 5.278 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.248 2.083 8.008 1.00 0.00 C ATOM 0 H ILE A 27 1.888 0.250 4.855 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.764 1.158 3.952 1.00 0.00 H new ATOM 0 HB ILE A 27 1.280 2.650 5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.259 1.374 6.676 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.241 0.470 6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.633 4.108 6.179 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.291 4.086 4.433 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.661 3.155 5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.098 1.452 8.827 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.335 2.159 8.042 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.189 3.077 8.107 1.00 0.00 H new ATOM 405 N GLU A 28 0.058 2.858 2.274 1.00 0.00 N ATOM 406 CA GLU A 28 0.535 3.643 1.141 1.00 0.00 C ATOM 407 C GLU A 28 -0.194 4.981 1.061 1.00 0.00 C ATOM 408 O GLU A 28 -1.381 5.036 0.740 1.00 0.00 O ATOM 409 CB GLU A 28 0.343 2.866 -0.163 1.00 0.00 C ATOM 410 CG GLU A 28 -1.104 2.799 -0.624 1.00 0.00 C ATOM 411 CD GLU A 28 -1.473 3.938 -1.554 1.00 0.00 C ATOM 412 OE1 GLU A 28 -0.657 4.873 -1.699 1.00 0.00 O ATOM 413 OE2 GLU A 28 -2.576 3.895 -2.137 1.00 0.00 O ATOM 0 H GLU A 28 -0.954 2.873 2.402 1.00 0.00 H new ATOM 0 HA GLU A 28 1.598 3.836 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.944 3.331 -0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.721 1.852 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.276 1.850 -1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.760 2.818 0.246 1.00 0.00 H new ATOM 420 N PHE A 29 0.526 6.059 1.355 1.00 0.00 N ATOM 421 CA PHE A 29 -0.051 7.397 1.317 1.00 0.00 C ATOM 422 C PHE A 29 -0.168 7.899 -0.119 1.00 0.00 C ATOM 423 O PHE A 29 0.821 7.959 -0.850 1.00 0.00 O ATOM 424 CB PHE A 29 0.801 8.366 2.140 1.00 0.00 C ATOM 425 CG PHE A 29 0.623 8.209 3.624 1.00 0.00 C ATOM 426 CD1 PHE A 29 1.173 7.126 4.290 1.00 0.00 C ATOM 427 CD2 PHE A 29 -0.095 9.145 4.351 1.00 0.00 C ATOM 428 CE1 PHE A 29 1.011 6.979 5.655 1.00 0.00 C ATOM 429 CE2 PHE A 29 -0.260 9.003 5.716 1.00 0.00 C ATOM 430 CZ PHE A 29 0.293 7.919 6.369 1.00 0.00 C ATOM 0 H PHE A 29 1.510 6.032 1.622 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.051 7.346 1.748 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.851 8.216 1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.549 9.388 1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.735 6.388 3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.530 9.994 3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.445 6.130 6.163 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.821 9.740 6.272 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.164 7.806 7.435 1.00 0.00 H new ATOM 440 N TYR A 30 -1.383 8.259 -0.516 1.00 0.00 N ATOM 441 CA TYR A 30 -1.631 8.753 -1.865 1.00 0.00 C ATOM 442 C TYR A 30 -2.417 10.061 -1.830 1.00 0.00 C ATOM 443 O TYR A 30 -2.965 10.441 -0.797 1.00 0.00 O ATOM 444 CB TYR A 30 -2.394 7.708 -2.681 1.00 0.00 C ATOM 445 CG TYR A 30 -3.865 7.629 -2.340 1.00 0.00 C ATOM 446 CD1 TYR A 30 -4.769 8.550 -2.857 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.351 6.633 -1.503 1.00 0.00 C ATOM 448 CE1 TYR A 30 -6.113 8.482 -2.547 1.00 0.00 C ATOM 449 CE2 TYR A 30 -5.695 6.556 -1.189 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.571 7.483 -1.713 1.00 0.00 C ATOM 451 OH TYR A 30 -7.910 7.411 -1.404 1.00 0.00 O ATOM 0 H TYR A 30 -2.212 8.218 0.077 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.668 8.942 -2.339 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.287 7.938 -3.741 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.939 6.731 -2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.414 9.332 -3.512 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.667 5.906 -1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.802 9.207 -2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.057 5.775 -0.537 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.196 8.252 -0.990 1.00 0.00 H new ATOM 461 N ALA A 31 -2.467 10.744 -2.969 1.00 0.00 N ATOM 462 CA ALA A 31 -3.187 12.007 -3.072 1.00 0.00 C ATOM 463 C ALA A 31 -3.886 12.132 -4.421 1.00 0.00 C ATOM 464 O ALA A 31 -3.322 11.825 -5.471 1.00 0.00 O ATOM 465 CB ALA A 31 -2.236 13.175 -2.857 1.00 0.00 C ATOM 0 H ALA A 31 -2.017 10.443 -3.834 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.950 12.027 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.787 14.112 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.787 13.101 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.452 13.150 -3.614 1.00 0.00 H new ATOM 471 N PRO A 32 -5.146 12.594 -4.395 1.00 0.00 N ATOM 472 CA PRO A 32 -5.949 12.770 -5.609 1.00 0.00 C ATOM 473 C PRO A 32 -5.443 13.916 -6.478 1.00 0.00 C ATOM 474 O PRO A 32 -5.723 13.970 -7.675 1.00 0.00 O ATOM 475 CB PRO A 32 -7.345 13.087 -5.067 1.00 0.00 C ATOM 476 CG PRO A 32 -7.104 13.670 -3.717 1.00 0.00 C ATOM 477 CD PRO A 32 -5.881 12.980 -3.180 1.00 0.00 C ATOM 0 HA PRO A 32 -5.915 11.890 -6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.871 13.790 -5.714 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.960 12.189 -5.006 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.949 14.747 -3.779 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.961 13.509 -3.064 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.291 13.643 -2.547 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.142 12.111 -2.576 1.00 0.00 H new ATOM 485 N TRP A 33 -4.696 14.829 -5.868 1.00 0.00 N ATOM 486 CA TRP A 33 -4.150 15.974 -6.588 1.00 0.00 C ATOM 487 C TRP A 33 -2.679 15.755 -6.924 1.00 0.00 C ATOM 488 O TRP A 33 -1.926 16.712 -7.110 1.00 0.00 O ATOM 489 CB TRP A 33 -4.311 17.249 -5.757 1.00 0.00 C ATOM 490 CG TRP A 33 -4.285 17.002 -4.279 1.00 0.00 C ATOM 491 CD1 TRP A 33 -5.328 17.132 -3.408 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.159 16.584 -3.500 1.00 0.00 C ATOM 493 NE1 TRP A 33 -4.918 16.820 -2.134 1.00 0.00 N ATOM 494 CE2 TRP A 33 -3.592 16.480 -2.164 1.00 0.00 C ATOM 495 CE3 TRP A 33 -1.827 16.286 -3.801 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -2.740 16.092 -1.133 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -0.982 15.901 -2.778 1.00 0.00 C ATOM 498 CH2 TRP A 33 -1.441 15.806 -1.457 1.00 0.00 C ATOM 0 H TRP A 33 -4.455 14.799 -4.877 1.00 0.00 H new ATOM 0 HA TRP A 33 -4.704 16.083 -7.520 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.514 17.946 -6.016 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -5.253 17.730 -6.021 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.328 17.435 -3.680 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.506 16.839 -1.301 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.465 16.356 -4.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.091 16.019 -0.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 0.049 15.669 -3.000 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.756 15.501 -0.679 1.00 0.00 H new ATOM 509 N CYS A 34 -2.277 14.492 -7.002 1.00 0.00 N ATOM 510 CA CYS A 34 -0.894 14.147 -7.316 1.00 0.00 C ATOM 511 C CYS A 34 -0.834 13.063 -8.387 1.00 0.00 C ATOM 512 O CYS A 34 -1.505 12.035 -8.303 1.00 0.00 O ATOM 513 CB CYS A 34 -0.165 13.678 -6.056 1.00 0.00 C ATOM 514 SG CYS A 34 1.615 13.996 -6.073 1.00 0.00 S ATOM 0 H CYS A 34 -2.888 13.689 -6.852 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.401 15.040 -7.701 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.604 14.173 -5.190 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.331 12.608 -5.930 1.00 0.00 H new ATOM 0 HG CYS A 34 2.143 13.567 -4.965 1.00 0.00 H new ATOM 520 N PRO A 35 -0.012 13.298 -9.421 1.00 0.00 N ATOM 521 CA PRO A 35 0.155 12.353 -10.530 1.00 0.00 C ATOM 522 C PRO A 35 0.889 11.086 -10.106 1.00 0.00 C ATOM 523 O PRO A 35 0.424 9.975 -10.357 1.00 0.00 O ATOM 524 CB PRO A 35 0.988 13.141 -11.544 1.00 0.00 C ATOM 525 CG PRO A 35 1.728 14.144 -10.729 1.00 0.00 C ATOM 526 CD PRO A 35 0.818 14.502 -9.587 1.00 0.00 C ATOM 0 HA PRO A 35 -0.803 12.009 -10.921 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.673 12.489 -12.086 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.354 13.625 -12.287 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.669 13.733 -10.364 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.974 15.024 -11.323 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.380 14.730 -8.682 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.212 15.379 -9.816 1.00 0.00 H new ATOM 534 N ALA A 36 2.039 11.261 -9.462 1.00 0.00 N ATOM 535 CA ALA A 36 2.836 10.131 -9.001 1.00 0.00 C ATOM 536 C ALA A 36 1.978 9.131 -8.233 1.00 0.00 C ATOM 537 O ALA A 36 2.088 7.921 -8.435 1.00 0.00 O ATOM 538 CB ALA A 36 3.988 10.617 -8.135 1.00 0.00 C ATOM 0 H ALA A 36 2.439 12.175 -9.248 1.00 0.00 H new ATOM 0 HA ALA A 36 3.243 9.623 -9.876 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.575 9.763 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.622 11.287 -8.716 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.593 11.150 -7.270 1.00 0.00 H new ATOM 544 N CYS A 37 1.127 9.644 -7.351 1.00 0.00 N ATOM 545 CA CYS A 37 0.252 8.795 -6.551 1.00 0.00 C ATOM 546 C CYS A 37 -0.707 8.010 -7.441 1.00 0.00 C ATOM 547 O CYS A 37 -1.063 6.873 -7.133 1.00 0.00 O ATOM 548 CB CYS A 37 -0.538 9.640 -5.551 1.00 0.00 C ATOM 549 SG CYS A 37 0.474 10.379 -4.247 1.00 0.00 S ATOM 0 H CYS A 37 1.025 10.643 -7.172 1.00 0.00 H new ATOM 0 HA CYS A 37 0.875 8.086 -6.005 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.053 10.435 -6.090 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.305 9.017 -5.092 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.060 11.502 -3.867 1.00 0.00 H new ATOM 555 N GLN A 38 -1.121 8.626 -8.543 1.00 0.00 N ATOM 556 CA GLN A 38 -2.040 7.985 -9.476 1.00 0.00 C ATOM 557 C GLN A 38 -1.397 6.762 -10.120 1.00 0.00 C ATOM 558 O GLN A 38 -2.088 5.831 -10.532 1.00 0.00 O ATOM 559 CB GLN A 38 -2.476 8.976 -10.557 1.00 0.00 C ATOM 560 CG GLN A 38 -3.306 10.133 -10.024 1.00 0.00 C ATOM 561 CD GLN A 38 -3.392 11.289 -11.001 1.00 0.00 C ATOM 562 OE1 GLN A 38 -3.324 11.096 -12.215 1.00 0.00 O ATOM 563 NE2 GLN A 38 -3.543 12.498 -10.475 1.00 0.00 N ATOM 0 H GLN A 38 -0.835 9.567 -8.812 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.917 7.659 -8.917 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.590 9.373 -11.052 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.053 8.444 -11.314 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.312 9.779 -9.796 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.873 10.485 -9.088 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.595 12.611 -9.463 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.608 13.314 -11.083 1.00 0.00 H new ATOM 572 N ASN A 39 -0.071 6.772 -10.204 1.00 0.00 N ATOM 573 CA ASN A 39 0.665 5.662 -10.800 1.00 0.00 C ATOM 574 C ASN A 39 0.684 4.457 -9.864 1.00 0.00 C ATOM 575 O ASN A 39 0.725 3.311 -10.312 1.00 0.00 O ATOM 576 CB ASN A 39 2.097 6.091 -11.127 1.00 0.00 C ATOM 577 CG ASN A 39 2.225 6.661 -12.526 1.00 0.00 C ATOM 578 OD1 ASN A 39 1.652 6.132 -13.478 1.00 0.00 O ATOM 579 ND2 ASN A 39 2.981 7.745 -12.656 1.00 0.00 N ATOM 0 H ASN A 39 0.516 7.535 -9.867 1.00 0.00 H new ATOM 0 HA ASN A 39 0.159 5.375 -11.722 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.424 6.837 -10.403 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.762 5.234 -11.025 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.105 8.173 -13.573 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.437 8.150 -11.838 1.00 0.00 H new ATOM 586 N LEU A 40 0.653 4.725 -8.564 1.00 0.00 N ATOM 587 CA LEU A 40 0.666 3.663 -7.564 1.00 0.00 C ATOM 588 C LEU A 40 -0.733 3.090 -7.360 1.00 0.00 C ATOM 589 O LEU A 40 -0.890 1.933 -6.973 1.00 0.00 O ATOM 590 CB LEU A 40 1.211 4.192 -6.236 1.00 0.00 C ATOM 591 CG LEU A 40 1.359 3.164 -5.114 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.494 2.199 -5.418 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.590 3.859 -3.780 1.00 0.00 C ATOM 0 H LEU A 40 0.619 5.668 -8.177 1.00 0.00 H new ATOM 0 HA LEU A 40 1.316 2.866 -7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.186 4.642 -6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.553 4.988 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 40 0.433 2.593 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.583 1.475 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.286 1.675 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.427 2.754 -5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.693 3.112 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.500 4.457 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.743 4.507 -3.556 1.00 0.00 H new ATOM 605 N GLN A 41 -1.746 3.909 -7.624 1.00 0.00 N ATOM 606 CA GLN A 41 -3.132 3.483 -7.471 1.00 0.00 C ATOM 607 C GLN A 41 -3.314 2.042 -7.937 1.00 0.00 C ATOM 608 O GLN A 41 -3.759 1.173 -7.187 1.00 0.00 O ATOM 609 CB GLN A 41 -4.062 4.408 -8.258 1.00 0.00 C ATOM 610 CG GLN A 41 -4.590 5.578 -7.444 1.00 0.00 C ATOM 611 CD GLN A 41 -5.004 5.174 -6.043 1.00 0.00 C ATOM 612 OE1 GLN A 41 -4.061 5.226 -5.109 1.00 0.00 O flip ATOM 613 NE2 GLN A 41 -6.158 4.818 -5.802 1.00 0.00 N flip ATOM 0 H GLN A 41 -1.633 4.871 -7.945 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.387 3.538 -6.413 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.528 4.793 -9.127 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.905 3.828 -8.633 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.822 6.350 -7.384 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.444 6.018 -7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.851 4.793 -6.550 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.421 4.548 -4.854 1.00 0.00 H new ATOM 622 N PRO A 42 -2.962 1.781 -9.205 1.00 0.00 N ATOM 623 CA PRO A 42 -3.077 0.447 -9.800 1.00 0.00 C ATOM 624 C PRO A 42 -2.070 -0.538 -9.214 1.00 0.00 C ATOM 625 O PRO A 42 -2.415 -1.674 -8.893 1.00 0.00 O ATOM 626 CB PRO A 42 -2.785 0.692 -11.282 1.00 0.00 C ATOM 627 CG PRO A 42 -1.948 1.924 -11.304 1.00 0.00 C ATOM 628 CD PRO A 42 -2.425 2.769 -10.155 1.00 0.00 C ATOM 0 HA PRO A 42 -4.054 0.000 -9.613 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.258 -0.152 -11.727 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.705 0.828 -11.850 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.891 1.680 -11.196 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.058 2.454 -12.250 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.612 3.347 -9.717 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.189 3.481 -10.469 1.00 0.00 H new ATOM 636 N GLU A 43 -0.825 -0.093 -9.079 1.00 0.00 N ATOM 637 CA GLU A 43 0.232 -0.936 -8.532 1.00 0.00 C ATOM 638 C GLU A 43 -0.179 -1.516 -7.182 1.00 0.00 C ATOM 639 O GLU A 43 0.156 -2.655 -6.857 1.00 0.00 O ATOM 640 CB GLU A 43 1.528 -0.136 -8.383 1.00 0.00 C ATOM 641 CG GLU A 43 2.426 -0.198 -9.608 1.00 0.00 C ATOM 642 CD GLU A 43 3.125 -1.535 -9.751 1.00 0.00 C ATOM 643 OE1 GLU A 43 2.585 -2.543 -9.250 1.00 0.00 O ATOM 644 OE2 GLU A 43 4.213 -1.574 -10.363 1.00 0.00 O ATOM 0 H GLU A 43 -0.523 0.846 -9.341 1.00 0.00 H new ATOM 0 HA GLU A 43 0.400 -1.760 -9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.281 0.905 -8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.079 -0.510 -7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.830 -0.006 -10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.173 0.594 -9.547 1.00 0.00 H new ATOM 651 N TRP A 44 -0.904 -0.724 -6.401 1.00 0.00 N ATOM 652 CA TRP A 44 -1.360 -1.158 -5.085 1.00 0.00 C ATOM 653 C TRP A 44 -2.389 -2.276 -5.207 1.00 0.00 C ATOM 654 O TRP A 44 -2.249 -3.330 -4.588 1.00 0.00 O ATOM 655 CB TRP A 44 -1.958 0.021 -4.316 1.00 0.00 C ATOM 656 CG TRP A 44 -1.907 -0.154 -2.828 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.962 -0.112 -1.961 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.741 -0.397 -2.033 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.521 -0.313 -0.675 1.00 0.00 N ATOM 660 CE2 TRP A 44 -1.163 -0.492 -0.692 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.618 -0.546 -2.323 1.00 0.00 C ATOM 662 CZ2 TRP A 44 -0.274 -0.727 0.353 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.499 -0.779 -1.285 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.051 -0.869 0.040 1.00 0.00 C ATOM 0 H TRP A 44 -1.189 0.222 -6.656 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.499 -1.541 -4.537 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.423 0.931 -4.586 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.995 0.158 -4.623 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.991 0.055 -2.244 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.110 -0.327 0.158 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.973 -0.480 -3.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.618 -0.795 1.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.552 -0.894 -1.498 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.765 -1.054 0.829 1.00 0.00 H new ATOM 675 N GLU A 45 -3.423 -2.039 -6.010 1.00 0.00 N ATOM 676 CA GLU A 45 -4.475 -3.027 -6.211 1.00 0.00 C ATOM 677 C GLU A 45 -3.886 -4.374 -6.620 1.00 0.00 C ATOM 678 O GLU A 45 -4.172 -5.401 -6.005 1.00 0.00 O ATOM 679 CB GLU A 45 -5.461 -2.545 -7.278 1.00 0.00 C ATOM 680 CG GLU A 45 -6.399 -1.453 -6.790 1.00 0.00 C ATOM 681 CD GLU A 45 -7.692 -1.399 -7.580 1.00 0.00 C ATOM 682 OE1 GLU A 45 -7.623 -1.307 -8.824 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.772 -1.449 -6.956 1.00 0.00 O ATOM 0 H GLU A 45 -3.553 -1.172 -6.531 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.005 -3.153 -5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.902 -2.175 -8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.052 -3.393 -7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.627 -1.619 -5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.895 -0.489 -6.859 1.00 0.00 H new ATOM 690 N SER A 46 -3.062 -4.361 -7.663 1.00 0.00 N ATOM 691 CA SER A 46 -2.435 -5.581 -8.158 1.00 0.00 C ATOM 692 C SER A 46 -1.575 -6.227 -7.075 1.00 0.00 C ATOM 693 O SER A 46 -1.335 -7.434 -7.095 1.00 0.00 O ATOM 694 CB SER A 46 -1.581 -5.277 -9.390 1.00 0.00 C ATOM 695 OG SER A 46 -2.391 -4.914 -10.495 1.00 0.00 O ATOM 0 H SER A 46 -2.813 -3.519 -8.182 1.00 0.00 H new ATOM 0 HA SER A 46 -3.224 -6.279 -8.436 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.885 -4.469 -9.164 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.982 -6.151 -9.646 1.00 0.00 H new ATOM 0 HG SER A 46 -1.821 -4.723 -11.269 1.00 0.00 H new ATOM 701 N PHE A 47 -1.113 -5.414 -6.132 1.00 0.00 N ATOM 702 CA PHE A 47 -0.278 -5.904 -5.041 1.00 0.00 C ATOM 703 C PHE A 47 -1.126 -6.587 -3.972 1.00 0.00 C ATOM 704 O PHE A 47 -0.953 -7.773 -3.691 1.00 0.00 O ATOM 705 CB PHE A 47 0.515 -4.752 -4.420 1.00 0.00 C ATOM 706 CG PHE A 47 0.845 -4.965 -2.970 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.095 -6.238 -2.482 1.00 0.00 C ATOM 708 CD2 PHE A 47 0.905 -3.893 -2.095 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.399 -6.438 -1.149 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.210 -4.086 -0.760 1.00 0.00 C ATOM 711 CZ PHE A 47 1.456 -5.360 -0.287 1.00 0.00 C ATOM 0 H PHE A 47 -1.302 -4.412 -6.101 1.00 0.00 H new ATOM 0 HA PHE A 47 0.418 -6.636 -5.450 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.441 -4.616 -4.979 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.058 -3.830 -4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.052 -7.084 -3.152 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.711 -2.895 -2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.592 -7.435 -0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.256 -3.242 -0.088 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.693 -5.513 0.756 1.00 0.00 H new ATOM 721 N ALA A 48 -2.044 -5.830 -3.380 1.00 0.00 N ATOM 722 CA ALA A 48 -2.920 -6.362 -2.343 1.00 0.00 C ATOM 723 C ALA A 48 -3.501 -7.710 -2.754 1.00 0.00 C ATOM 724 O ALA A 48 -3.947 -8.487 -1.911 1.00 0.00 O ATOM 725 CB ALA A 48 -4.036 -5.374 -2.038 1.00 0.00 C ATOM 0 H ALA A 48 -2.200 -4.847 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.326 -6.512 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.683 -5.784 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.605 -4.434 -1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.621 -5.195 -2.941 1.00 0.00 H new ATOM 731 N GLU A 49 -3.494 -7.980 -4.056 1.00 0.00 N ATOM 732 CA GLU A 49 -4.023 -9.235 -4.578 1.00 0.00 C ATOM 733 C GLU A 49 -3.339 -10.430 -3.920 1.00 0.00 C ATOM 734 O GLU A 49 -3.993 -11.269 -3.300 1.00 0.00 O ATOM 735 CB GLU A 49 -3.838 -9.300 -6.096 1.00 0.00 C ATOM 736 CG GLU A 49 -4.887 -8.520 -6.871 1.00 0.00 C ATOM 737 CD GLU A 49 -5.010 -8.980 -8.310 1.00 0.00 C ATOM 738 OE1 GLU A 49 -3.982 -9.384 -8.893 1.00 0.00 O ATOM 739 OE2 GLU A 49 -6.133 -8.935 -8.854 1.00 0.00 O ATOM 0 H GLU A 49 -3.128 -7.347 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.087 -9.275 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.850 -8.915 -6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.865 -10.343 -6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.852 -8.626 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.634 -7.460 -6.853 1.00 0.00 H new ATOM 746 N TRP A 50 -2.020 -10.499 -4.059 1.00 0.00 N ATOM 747 CA TRP A 50 -1.247 -11.591 -3.479 1.00 0.00 C ATOM 748 C TRP A 50 -0.803 -11.250 -2.060 1.00 0.00 C ATOM 749 O TRP A 50 -0.454 -12.134 -1.280 1.00 0.00 O ATOM 750 CB TRP A 50 -0.026 -11.897 -4.348 1.00 0.00 C ATOM 751 CG TRP A 50 0.776 -10.680 -4.697 1.00 0.00 C ATOM 752 CD1 TRP A 50 0.858 -10.075 -5.918 1.00 0.00 C ATOM 753 CD2 TRP A 50 1.609 -9.921 -3.814 1.00 0.00 C ATOM 754 NE1 TRP A 50 1.693 -8.986 -5.848 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.166 -8.870 -4.568 1.00 0.00 C ATOM 756 CE3 TRP A 50 1.938 -10.027 -2.460 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.033 -7.933 -4.011 1.00 0.00 C ATOM 758 CZ3 TRP A 50 2.799 -9.096 -1.909 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.338 -8.060 -2.683 1.00 0.00 C ATOM 0 H TRP A 50 -1.464 -9.812 -4.568 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.886 -12.473 -3.438 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.614 -12.607 -3.825 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.356 -12.382 -5.267 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.342 -10.404 -6.808 1.00 0.00 H new ATOM 0 HE1 TRP A 50 1.923 -8.365 -6.624 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.527 -10.822 -1.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.450 -7.134 -4.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.061 -9.169 -0.864 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.007 -7.348 -2.223 1.00 0.00 H new ATOM 770 N GLY A 51 -0.819 -9.961 -1.733 1.00 0.00 N ATOM 771 CA GLY A 51 -0.416 -9.527 -0.408 1.00 0.00 C ATOM 772 C GLY A 51 -0.865 -10.485 0.677 1.00 0.00 C ATOM 773 O GLY A 51 -0.047 -11.194 1.264 1.00 0.00 O ATOM 0 H GLY A 51 -1.104 -9.210 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.669 -9.429 -0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.831 -8.539 -0.211 1.00 0.00 H new ATOM 777 N GLU A 52 -2.166 -10.506 0.946 1.00 0.00 N ATOM 778 CA GLU A 52 -2.721 -11.383 1.971 1.00 0.00 C ATOM 779 C GLU A 52 -2.192 -12.806 1.812 1.00 0.00 C ATOM 780 O GLU A 52 -2.007 -13.524 2.796 1.00 0.00 O ATOM 781 CB GLU A 52 -4.249 -11.384 1.900 1.00 0.00 C ATOM 782 CG GLU A 52 -4.803 -12.149 0.710 1.00 0.00 C ATOM 783 CD GLU A 52 -4.945 -13.634 0.985 1.00 0.00 C ATOM 784 OE1 GLU A 52 -5.082 -14.008 2.169 1.00 0.00 O ATOM 785 OE2 GLU A 52 -4.918 -14.421 0.016 1.00 0.00 O ATOM 0 H GLU A 52 -2.856 -9.926 0.469 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.411 -11.004 2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.647 -11.818 2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.603 -10.354 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.776 -11.739 0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.147 -12.003 -0.148 1.00 0.00 H new ATOM 792 N ASP A 53 -1.952 -13.207 0.569 1.00 0.00 N ATOM 793 CA ASP A 53 -1.445 -14.543 0.281 1.00 0.00 C ATOM 794 C ASP A 53 -0.124 -14.791 1.004 1.00 0.00 C ATOM 795 O ASP A 53 0.124 -15.887 1.508 1.00 0.00 O ATOM 796 CB ASP A 53 -1.257 -14.727 -1.226 1.00 0.00 C ATOM 797 CG ASP A 53 -1.460 -16.164 -1.664 1.00 0.00 C ATOM 798 OD1 ASP A 53 -0.501 -16.958 -1.559 1.00 0.00 O ATOM 799 OD2 ASP A 53 -2.578 -16.496 -2.110 1.00 0.00 O ATOM 0 H ASP A 53 -2.100 -12.626 -0.256 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.177 -15.267 0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.960 -14.086 -1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.255 -14.403 -1.506 1.00 0.00 H new ATOM 804 N LEU A 54 0.720 -13.766 1.050 1.00 0.00 N ATOM 805 CA LEU A 54 2.017 -13.873 1.710 1.00 0.00 C ATOM 806 C LEU A 54 1.897 -13.559 3.198 1.00 0.00 C ATOM 807 O LEU A 54 2.889 -13.255 3.859 1.00 0.00 O ATOM 808 CB LEU A 54 3.023 -12.924 1.057 1.00 0.00 C ATOM 809 CG LEU A 54 3.130 -13.005 -0.467 1.00 0.00 C ATOM 810 CD1 LEU A 54 3.925 -11.827 -1.009 1.00 0.00 C ATOM 811 CD2 LEU A 54 3.769 -14.321 -0.887 1.00 0.00 C ATOM 0 H LEU A 54 0.530 -12.852 0.639 1.00 0.00 H new ATOM 0 HA LEU A 54 2.370 -14.898 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.758 -11.902 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.007 -13.122 1.481 1.00 0.00 H new ATOM 0 HG LEU A 54 2.125 -12.962 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.991 -11.901 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.426 -10.896 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.928 -11.838 -0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.837 -14.362 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.768 -14.394 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.160 -15.151 -0.530 1.00 0.00 H new ATOM 823 N GLU A 55 0.676 -13.636 3.718 1.00 0.00 N ATOM 824 CA GLU A 55 0.428 -13.362 5.128 1.00 0.00 C ATOM 825 C GLU A 55 0.768 -11.914 5.469 1.00 0.00 C ATOM 826 O GLU A 55 1.558 -11.646 6.373 1.00 0.00 O ATOM 827 CB GLU A 55 1.247 -14.310 6.007 1.00 0.00 C ATOM 828 CG GLU A 55 0.548 -15.628 6.296 1.00 0.00 C ATOM 829 CD GLU A 55 -0.685 -15.457 7.162 1.00 0.00 C ATOM 830 OE1 GLU A 55 -0.623 -14.674 8.134 1.00 0.00 O ATOM 831 OE2 GLU A 55 -1.711 -16.105 6.869 1.00 0.00 O ATOM 0 H GLU A 55 -0.156 -13.886 3.184 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.632 -13.524 5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.200 -14.513 5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.472 -13.813 6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.264 -16.098 5.355 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.245 -16.303 6.792 1.00 0.00 H new ATOM 838 N VAL A 56 0.165 -10.983 4.736 1.00 0.00 N ATOM 839 CA VAL A 56 0.403 -9.561 4.959 1.00 0.00 C ATOM 840 C VAL A 56 -0.839 -8.739 4.633 1.00 0.00 C ATOM 841 O VAL A 56 -1.450 -8.909 3.579 1.00 0.00 O ATOM 842 CB VAL A 56 1.582 -9.049 4.111 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.103 -8.630 2.729 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.282 -7.897 4.814 1.00 0.00 C ATOM 0 H VAL A 56 -0.492 -11.188 3.983 1.00 0.00 H new ATOM 0 HA VAL A 56 0.647 -9.442 6.015 1.00 0.00 H new ATOM 0 HB VAL A 56 2.300 -9.860 3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.950 -8.271 2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.651 -9.485 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.365 -7.834 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.113 -7.547 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.576 -7.081 4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.660 -8.235 5.779 1.00 0.00 H new ATOM 854 N ASN A 57 -1.206 -7.845 5.546 1.00 0.00 N ATOM 855 CA ASN A 57 -2.376 -6.995 5.356 1.00 0.00 C ATOM 856 C ASN A 57 -2.004 -5.717 4.609 1.00 0.00 C ATOM 857 O ASN A 57 -0.939 -5.141 4.836 1.00 0.00 O ATOM 858 CB ASN A 57 -3.003 -6.645 6.706 1.00 0.00 C ATOM 859 CG ASN A 57 -2.975 -7.811 7.676 1.00 0.00 C ATOM 860 OD1 ASN A 57 -3.276 -8.946 7.308 1.00 0.00 O ATOM 861 ND2 ASN A 57 -2.613 -7.534 8.923 1.00 0.00 N ATOM 0 H ASN A 57 -0.710 -7.691 6.424 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.102 -7.547 4.758 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.471 -5.800 7.143 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.035 -6.328 6.553 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.576 -8.277 9.620 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.372 -6.578 9.184 1.00 0.00 H new ATOM 868 N ILE A 58 -2.888 -5.280 3.719 1.00 0.00 N ATOM 869 CA ILE A 58 -2.653 -4.070 2.941 1.00 0.00 C ATOM 870 C ILE A 58 -3.759 -3.046 3.170 1.00 0.00 C ATOM 871 O ILE A 58 -4.941 -3.389 3.200 1.00 0.00 O ATOM 872 CB ILE A 58 -2.559 -4.379 1.435 1.00 0.00 C ATOM 873 CG1 ILE A 58 -1.470 -5.421 1.173 1.00 0.00 C ATOM 874 CG2 ILE A 58 -2.281 -3.105 0.650 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.942 -6.847 1.355 1.00 0.00 C ATOM 0 H ILE A 58 -3.773 -5.745 3.519 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.703 -3.657 3.279 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.513 -4.787 1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.097 -5.297 0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.632 -5.236 1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.217 -3.339 -0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.088 -2.392 0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.338 -2.671 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.118 -7.532 1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.288 -6.988 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.760 -7.050 0.664 1.00 0.00 H new ATOM 887 N ALA A 59 -3.368 -1.786 3.329 1.00 0.00 N ATOM 888 CA ALA A 59 -4.326 -0.710 3.552 1.00 0.00 C ATOM 889 C ALA A 59 -3.854 0.588 2.907 1.00 0.00 C ATOM 890 O ALA A 59 -2.655 0.809 2.735 1.00 0.00 O ATOM 891 CB ALA A 59 -4.556 -0.508 5.042 1.00 0.00 C ATOM 0 H ALA A 59 -2.394 -1.485 3.308 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.269 -0.995 3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.273 0.298 5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.946 -1.428 5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.613 -0.250 5.524 1.00 0.00 H new ATOM 897 N LYS A 60 -4.804 1.445 2.549 1.00 0.00 N ATOM 898 CA LYS A 60 -4.486 2.723 1.923 1.00 0.00 C ATOM 899 C LYS A 60 -4.972 3.886 2.782 1.00 0.00 C ATOM 900 O LYS A 60 -6.017 3.800 3.427 1.00 0.00 O ATOM 901 CB LYS A 60 -5.119 2.804 0.532 1.00 0.00 C ATOM 902 CG LYS A 60 -6.623 3.014 0.558 1.00 0.00 C ATOM 903 CD LYS A 60 -7.250 2.724 -0.795 1.00 0.00 C ATOM 904 CE LYS A 60 -8.768 2.672 -0.705 1.00 0.00 C ATOM 905 NZ LYS A 60 -9.384 2.232 -1.988 1.00 0.00 N ATOM 0 H LYS A 60 -5.801 1.278 2.682 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.402 2.793 1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.656 3.621 -0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.898 1.886 -0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.069 2.366 1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.843 4.041 0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.953 3.493 -1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.874 1.774 -1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.062 1.989 0.092 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.150 3.657 -0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.419 2.209 -1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.125 2.898 -2.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.039 1.281 -2.231 1.00 0.00 H new ATOM 919 N VAL A 61 -4.208 4.974 2.785 1.00 0.00 N ATOM 920 CA VAL A 61 -4.562 6.155 3.563 1.00 0.00 C ATOM 921 C VAL A 61 -4.676 7.386 2.671 1.00 0.00 C ATOM 922 O VAL A 61 -3.896 7.562 1.735 1.00 0.00 O ATOM 923 CB VAL A 61 -3.526 6.430 4.669 1.00 0.00 C ATOM 924 CG1 VAL A 61 -3.776 7.787 5.309 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.556 5.325 5.714 1.00 0.00 C ATOM 0 H VAL A 61 -3.340 5.062 2.257 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.529 5.953 4.024 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.534 6.445 4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.034 7.964 6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.699 8.566 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.774 7.804 5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.818 5.536 6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.548 5.276 6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.324 4.371 5.241 1.00 0.00 H new ATOM 935 N ASP A 62 -5.654 8.235 2.967 1.00 0.00 N ATOM 936 CA ASP A 62 -5.870 9.452 2.193 1.00 0.00 C ATOM 937 C ASP A 62 -5.395 10.679 2.966 1.00 0.00 C ATOM 938 O ASP A 62 -5.807 10.907 4.103 1.00 0.00 O ATOM 939 CB ASP A 62 -7.351 9.600 1.838 1.00 0.00 C ATOM 940 CG ASP A 62 -7.563 10.383 0.558 1.00 0.00 C ATOM 941 OD1 ASP A 62 -6.730 11.263 0.254 1.00 0.00 O ATOM 942 OD2 ASP A 62 -8.563 10.116 -0.142 1.00 0.00 O ATOM 0 H ASP A 62 -6.310 8.103 3.737 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.289 9.376 1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.797 8.611 1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.870 10.099 2.656 1.00 0.00 H new ATOM 947 N VAL A 63 -4.525 11.466 2.340 1.00 0.00 N ATOM 948 CA VAL A 63 -3.994 12.669 2.968 1.00 0.00 C ATOM 949 C VAL A 63 -4.942 13.849 2.786 1.00 0.00 C ATOM 950 O VAL A 63 -4.527 15.007 2.830 1.00 0.00 O ATOM 951 CB VAL A 63 -2.614 13.041 2.391 1.00 0.00 C ATOM 952 CG1 VAL A 63 -1.616 11.918 2.629 1.00 0.00 C ATOM 953 CG2 VAL A 63 -2.726 13.361 0.908 1.00 0.00 C ATOM 0 H VAL A 63 -4.173 11.291 1.399 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.890 12.451 4.031 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.252 13.931 2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.647 12.198 2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.516 11.741 3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.969 11.008 2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.743 13.622 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.109 12.490 0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.407 14.201 0.767 1.00 0.00 H new ATOM 963 N THR A 64 -6.221 13.547 2.582 1.00 0.00 N ATOM 964 CA THR A 64 -7.230 14.582 2.392 1.00 0.00 C ATOM 965 C THR A 64 -8.422 14.363 3.317 1.00 0.00 C ATOM 966 O THR A 64 -9.079 15.316 3.732 1.00 0.00 O ATOM 967 CB THR A 64 -7.726 14.623 0.935 1.00 0.00 C ATOM 968 OG1 THR A 64 -8.374 13.390 0.603 1.00 0.00 O ATOM 969 CG2 THR A 64 -6.570 14.868 -0.023 1.00 0.00 C ATOM 0 H THR A 64 -6.582 12.594 2.544 1.00 0.00 H new ATOM 0 HA THR A 64 -6.756 15.534 2.633 1.00 0.00 H new ATOM 0 HB THR A 64 -8.437 15.444 0.839 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.700 12.720 0.364 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.945 14.893 -1.046 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.097 15.821 0.214 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.839 14.066 0.076 1.00 0.00 H new ATOM 977 N GLU A 65 -8.694 13.101 3.636 1.00 0.00 N ATOM 978 CA GLU A 65 -9.808 12.758 4.512 1.00 0.00 C ATOM 979 C GLU A 65 -9.312 12.412 5.913 1.00 0.00 C ATOM 980 O GLU A 65 -10.045 12.547 6.892 1.00 0.00 O ATOM 981 CB GLU A 65 -10.598 11.583 3.933 1.00 0.00 C ATOM 982 CG GLU A 65 -11.531 11.975 2.800 1.00 0.00 C ATOM 983 CD GLU A 65 -12.800 12.642 3.293 1.00 0.00 C ATOM 984 OE1 GLU A 65 -13.674 11.932 3.832 1.00 0.00 O ATOM 985 OE2 GLU A 65 -12.919 13.876 3.139 1.00 0.00 O ATOM 0 H GLU A 65 -8.158 12.300 3.301 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.463 13.627 4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.899 10.829 3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.182 11.121 4.729 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.009 12.651 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.792 11.086 2.225 1.00 0.00 H new ATOM 992 N GLN A 66 -8.063 11.965 5.998 1.00 0.00 N ATOM 993 CA GLN A 66 -7.470 11.598 7.278 1.00 0.00 C ATOM 994 C GLN A 66 -6.433 12.628 7.713 1.00 0.00 C ATOM 995 O GLN A 66 -5.253 12.540 7.371 1.00 0.00 O ATOM 996 CB GLN A 66 -6.824 10.214 7.187 1.00 0.00 C ATOM 997 CG GLN A 66 -7.830 9.075 7.145 1.00 0.00 C ATOM 998 CD GLN A 66 -8.755 9.069 8.346 1.00 0.00 C ATOM 999 OE1 GLN A 66 -8.305 9.125 9.491 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -10.056 9.000 8.091 1.00 0.00 N ATOM 0 H GLN A 66 -7.443 11.848 5.196 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.265 11.572 8.024 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.201 10.171 6.293 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.164 10.073 8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.424 9.153 6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.297 8.126 7.097 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.385 8.955 7.127 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.727 8.992 8.860 1.00 0.00 H new ATOM 1009 N PRO A 67 -6.881 13.630 8.485 1.00 0.00 N ATOM 1010 CA PRO A 67 -6.007 14.696 8.983 1.00 0.00 C ATOM 1011 C PRO A 67 -5.023 14.196 10.034 1.00 0.00 C ATOM 1012 O PRO A 67 -3.845 14.551 10.015 1.00 0.00 O ATOM 1013 CB PRO A 67 -6.987 15.697 9.601 1.00 0.00 C ATOM 1014 CG PRO A 67 -8.180 14.883 9.967 1.00 0.00 C ATOM 1015 CD PRO A 67 -8.274 13.798 8.931 1.00 0.00 C ATOM 0 HA PRO A 67 -5.387 15.118 8.192 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.556 16.184 10.476 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.247 16.485 8.894 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.073 14.460 10.966 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.082 15.494 9.975 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.676 12.876 9.351 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.928 14.085 8.107 1.00 0.00 H new ATOM 1023 N GLY A 68 -5.513 13.368 10.952 1.00 0.00 N ATOM 1024 CA GLY A 68 -4.663 12.832 11.998 1.00 0.00 C ATOM 1025 C GLY A 68 -3.527 11.992 11.448 1.00 0.00 C ATOM 1026 O GLY A 68 -2.358 12.361 11.568 1.00 0.00 O ATOM 0 H GLY A 68 -6.484 13.059 10.989 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.252 13.654 12.585 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.264 12.226 12.676 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.870 10.859 10.846 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.869 9.962 10.277 1.00 0.00 C ATOM 1032 C LEU A 69 -1.769 10.750 9.574 1.00 0.00 C ATOM 1033 O LEU A 69 -0.584 10.453 9.728 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.526 8.992 9.293 1.00 0.00 C ATOM 1035 CG LEU A 69 -4.237 7.788 9.910 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -5.083 7.074 8.867 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -3.227 6.831 10.526 1.00 0.00 C ATOM 0 H LEU A 69 -4.833 10.539 10.739 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.420 9.395 11.092 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.248 9.547 8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.760 8.625 8.610 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.898 8.146 10.700 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.581 6.220 9.325 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.831 7.762 8.472 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.444 6.728 8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.751 5.980 10.961 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.541 6.480 9.755 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.665 7.347 11.304 1.00 0.00 H new ATOM 1049 N SER A 70 -2.168 11.757 8.804 1.00 0.00 N ATOM 1050 CA SER A 70 -1.216 12.587 8.076 1.00 0.00 C ATOM 1051 C SER A 70 -0.221 13.238 9.032 1.00 0.00 C ATOM 1052 O SER A 70 0.967 13.346 8.732 1.00 0.00 O ATOM 1053 CB SER A 70 -1.952 13.664 7.276 1.00 0.00 C ATOM 1054 OG SER A 70 -2.885 13.085 6.381 1.00 0.00 O ATOM 0 H SER A 70 -3.145 12.018 8.668 1.00 0.00 H new ATOM 0 HA SER A 70 -0.666 11.946 7.387 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.468 14.339 7.958 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.232 14.263 6.719 1.00 0.00 H new ATOM 0 HG SER A 70 -3.683 12.804 6.876 1.00 0.00 H new ATOM 1060 N GLY A 71 -0.717 13.673 10.187 1.00 0.00 N ATOM 1061 CA GLY A 71 0.140 14.309 11.170 1.00 0.00 C ATOM 1062 C GLY A 71 1.095 13.331 11.825 1.00 0.00 C ATOM 1063 O GLY A 71 2.309 13.534 11.809 1.00 0.00 O ATOM 0 H GLY A 71 -1.697 13.596 10.459 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.711 15.104 10.690 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.477 14.778 11.936 1.00 0.00 H new ATOM 1067 N ARG A 72 0.547 12.267 12.403 1.00 0.00 N ATOM 1068 CA ARG A 72 1.359 11.256 13.069 1.00 0.00 C ATOM 1069 C ARG A 72 2.371 10.648 12.102 1.00 0.00 C ATOM 1070 O ARG A 72 3.571 10.627 12.375 1.00 0.00 O ATOM 1071 CB ARG A 72 0.468 10.157 13.650 1.00 0.00 C ATOM 1072 CG ARG A 72 -0.324 9.396 12.599 1.00 0.00 C ATOM 1073 CD ARG A 72 -1.366 8.490 13.234 1.00 0.00 C ATOM 1074 NE ARG A 72 -2.336 9.242 14.027 1.00 0.00 N ATOM 1075 CZ ARG A 72 -3.552 8.794 14.318 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -3.945 7.603 13.886 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -4.377 9.536 15.045 1.00 0.00 N ATOM 0 H ARG A 72 -0.456 12.083 12.423 1.00 0.00 H new ATOM 0 HA ARG A 72 1.903 11.739 13.880 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.088 9.454 14.205 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.225 10.602 14.363 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.814 10.103 11.929 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.356 8.800 11.991 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.888 7.935 12.454 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.870 7.756 13.869 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.064 10.161 14.376 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.313 7.028 13.329 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.879 7.262 14.111 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.078 10.451 15.381 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.311 9.191 15.268 1.00 0.00 H new ATOM 1091 N PHE A 73 1.878 10.154 10.971 1.00 0.00 N ATOM 1092 CA PHE A 73 2.738 9.544 9.964 1.00 0.00 C ATOM 1093 C PHE A 73 3.303 10.600 9.020 1.00 0.00 C ATOM 1094 O PHE A 73 2.896 10.694 7.862 1.00 0.00 O ATOM 1095 CB PHE A 73 1.961 8.494 9.167 1.00 0.00 C ATOM 1096 CG PHE A 73 1.694 7.233 9.937 1.00 0.00 C ATOM 1097 CD1 PHE A 73 2.679 6.267 10.074 1.00 0.00 C ATOM 1098 CD2 PHE A 73 0.459 7.012 10.524 1.00 0.00 C ATOM 1099 CE1 PHE A 73 2.437 5.105 10.782 1.00 0.00 C ATOM 1100 CE2 PHE A 73 0.211 5.852 11.234 1.00 0.00 C ATOM 1101 CZ PHE A 73 1.201 4.897 11.362 1.00 0.00 C ATOM 0 H PHE A 73 0.887 10.164 10.729 1.00 0.00 H new ATOM 0 HA PHE A 73 3.568 9.059 10.477 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.011 8.922 8.846 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.520 8.247 8.264 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.647 6.424 9.622 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.319 7.754 10.426 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.213 4.361 10.882 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.756 5.693 11.688 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.009 3.989 11.915 1.00 0.00 H new ATOM 1111 N ILE A 74 4.243 11.393 9.523 1.00 0.00 N ATOM 1112 CA ILE A 74 4.865 12.442 8.725 1.00 0.00 C ATOM 1113 C ILE A 74 4.887 12.069 7.247 1.00 0.00 C ATOM 1114 O ILE A 74 5.411 11.021 6.869 1.00 0.00 O ATOM 1115 CB ILE A 74 6.305 12.727 9.192 1.00 0.00 C ATOM 1116 CG1 ILE A 74 7.136 11.443 9.165 1.00 0.00 C ATOM 1117 CG2 ILE A 74 6.299 13.331 10.589 1.00 0.00 C ATOM 1118 CD1 ILE A 74 6.629 10.375 10.109 1.00 0.00 C ATOM 0 H ILE A 74 4.591 11.329 10.480 1.00 0.00 H new ATOM 0 HA ILE A 74 4.263 13.340 8.862 1.00 0.00 H new ATOM 0 HB ILE A 74 6.758 13.445 8.509 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.143 11.046 8.150 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.168 11.682 9.421 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.324 13.527 10.905 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.738 14.265 10.579 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.832 12.634 11.285 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.266 9.493 10.037 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.648 10.754 11.131 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.607 10.107 9.840 1.00 0.00 H new ATOM 1130 N ILE A 75 4.315 12.933 6.415 1.00 0.00 N ATOM 1131 CA ILE A 75 4.272 12.695 4.978 1.00 0.00 C ATOM 1132 C ILE A 75 5.005 13.795 4.216 1.00 0.00 C ATOM 1133 O ILE A 75 4.382 14.683 3.637 1.00 0.00 O ATOM 1134 CB ILE A 75 2.822 12.610 4.465 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.074 11.478 5.172 1.00 0.00 C ATOM 1136 CG2 ILE A 75 2.805 12.404 2.958 1.00 0.00 C ATOM 1137 CD1 ILE A 75 2.807 10.156 5.140 1.00 0.00 C ATOM 0 H ILE A 75 3.875 13.804 6.712 1.00 0.00 H new ATOM 0 HA ILE A 75 4.768 11.741 4.801 1.00 0.00 H new ATOM 0 HB ILE A 75 2.317 13.549 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.899 11.762 6.210 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.096 11.353 4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.774 12.346 2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.306 13.241 2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.324 11.478 2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.218 9.401 5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.959 9.849 4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.774 10.264 5.632 1.00 0.00 H new ATOM 1149 N ASN A 76 6.332 13.726 4.221 1.00 0.00 N ATOM 1150 CA ASN A 76 7.151 14.714 3.529 1.00 0.00 C ATOM 1151 C ASN A 76 6.831 14.738 2.037 1.00 0.00 C ATOM 1152 O ASN A 76 6.538 15.790 1.471 1.00 0.00 O ATOM 1153 CB ASN A 76 8.637 14.414 3.739 1.00 0.00 C ATOM 1154 CG ASN A 76 8.928 12.926 3.762 1.00 0.00 C ATOM 1155 OD1 ASN A 76 8.754 12.308 4.925 1.00 0.00 O flip ATOM 1156 ND2 ASN A 76 9.304 12.340 2.747 1.00 0.00 N flip ATOM 0 H ASN A 76 6.863 12.996 4.696 1.00 0.00 H new ATOM 0 HA ASN A 76 6.923 15.694 3.947 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.216 14.882 2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.966 14.861 4.677 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.424 12.856 1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.496 11.339 2.778 1.00 0.00 H new ATOM 1163 N ALA A 77 6.891 13.569 1.407 1.00 0.00 N ATOM 1164 CA ALA A 77 6.605 13.455 -0.018 1.00 0.00 C ATOM 1165 C ALA A 77 5.658 12.293 -0.297 1.00 0.00 C ATOM 1166 O ALA A 77 5.342 11.508 0.598 1.00 0.00 O ATOM 1167 CB ALA A 77 7.897 13.284 -0.804 1.00 0.00 C ATOM 0 H ALA A 77 7.135 12.689 1.861 1.00 0.00 H new ATOM 0 HA ALA A 77 6.115 14.374 -0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.668 13.200 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.541 14.148 -0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.409 12.381 -0.471 1.00 0.00 H new ATOM 1173 N LEU A 78 5.206 12.189 -1.542 1.00 0.00 N ATOM 1174 CA LEU A 78 4.293 11.123 -1.938 1.00 0.00 C ATOM 1175 C LEU A 78 4.599 10.642 -3.353 1.00 0.00 C ATOM 1176 O LEU A 78 5.095 11.390 -4.196 1.00 0.00 O ATOM 1177 CB LEU A 78 2.845 11.607 -1.854 1.00 0.00 C ATOM 1178 CG LEU A 78 2.347 11.995 -0.461 1.00 0.00 C ATOM 1179 CD1 LEU A 78 1.278 13.073 -0.558 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.811 10.774 0.273 1.00 0.00 C ATOM 0 H LEU A 78 5.457 12.830 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 78 4.430 10.287 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.732 12.469 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.197 10.822 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 78 3.187 12.395 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.935 13.337 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.694 13.956 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.437 12.700 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.461 11.069 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.983 10.344 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.604 10.033 0.375 1.00 0.00 H new ATOM 1192 N PRO A 79 4.295 9.364 -3.623 1.00 0.00 N ATOM 1193 CA PRO A 79 3.705 8.464 -2.627 1.00 0.00 C ATOM 1194 C PRO A 79 4.689 8.099 -1.520 1.00 0.00 C ATOM 1195 O PRO A 79 5.884 8.375 -1.621 1.00 0.00 O ATOM 1196 CB PRO A 79 3.337 7.223 -3.445 1.00 0.00 C ATOM 1197 CG PRO A 79 4.267 7.247 -4.609 1.00 0.00 C ATOM 1198 CD PRO A 79 4.505 8.698 -4.919 1.00 0.00 C ATOM 0 HA PRO A 79 2.858 8.921 -2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.460 6.312 -2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.297 7.256 -3.769 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.202 6.740 -4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.833 6.731 -5.466 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.512 8.867 -5.299 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.813 9.066 -5.676 1.00 0.00 H new ATOM 1206 N THR A 80 4.178 7.476 -0.463 1.00 0.00 N ATOM 1207 CA THR A 80 5.011 7.074 0.663 1.00 0.00 C ATOM 1208 C THR A 80 4.440 5.842 1.357 1.00 0.00 C ATOM 1209 O THR A 80 3.448 5.931 2.082 1.00 0.00 O ATOM 1210 CB THR A 80 5.150 8.211 1.693 1.00 0.00 C ATOM 1211 OG1 THR A 80 6.046 9.213 1.198 1.00 0.00 O ATOM 1212 CG2 THR A 80 5.663 7.677 3.022 1.00 0.00 C ATOM 0 H THR A 80 3.191 7.239 -0.363 1.00 0.00 H new ATOM 0 HA THR A 80 5.995 6.837 0.259 1.00 0.00 H new ATOM 0 HB THR A 80 4.165 8.651 1.852 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.605 10.088 1.223 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.753 8.498 3.734 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.965 6.935 3.410 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.639 7.215 2.876 1.00 0.00 H new ATOM 1220 N ILE A 81 5.072 4.696 1.132 1.00 0.00 N ATOM 1221 CA ILE A 81 4.627 3.447 1.738 1.00 0.00 C ATOM 1222 C ILE A 81 5.303 3.218 3.085 1.00 0.00 C ATOM 1223 O ILE A 81 6.494 3.484 3.247 1.00 0.00 O ATOM 1224 CB ILE A 81 4.914 2.243 0.821 1.00 0.00 C ATOM 1225 CG1 ILE A 81 4.033 2.304 -0.428 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.688 0.939 1.573 1.00 0.00 C ATOM 1227 CD1 ILE A 81 4.563 1.481 -1.582 1.00 0.00 C ATOM 0 H ILE A 81 5.894 4.606 0.535 1.00 0.00 H new ATOM 0 HA ILE A 81 3.550 3.533 1.885 1.00 0.00 H new ATOM 0 HB ILE A 81 5.957 2.283 0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.032 1.956 -0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.939 3.342 -0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.895 0.097 0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.354 0.896 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.653 0.889 1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.888 1.571 -2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.552 1.843 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.631 0.435 -1.282 1.00 0.00 H new ATOM 1239 N TYR A 82 4.536 2.722 4.049 1.00 0.00 N ATOM 1240 CA TYR A 82 5.060 2.457 5.384 1.00 0.00 C ATOM 1241 C TYR A 82 4.913 0.982 5.744 1.00 0.00 C ATOM 1242 O TYR A 82 3.854 0.385 5.548 1.00 0.00 O ATOM 1243 CB TYR A 82 4.337 3.321 6.419 1.00 0.00 C ATOM 1244 CG TYR A 82 4.974 4.677 6.627 1.00 0.00 C ATOM 1245 CD1 TYR A 82 6.101 4.822 7.426 1.00 0.00 C ATOM 1246 CD2 TYR A 82 4.448 5.812 6.024 1.00 0.00 C ATOM 1247 CE1 TYR A 82 6.685 6.058 7.619 1.00 0.00 C ATOM 1248 CE2 TYR A 82 5.026 7.053 6.210 1.00 0.00 C ATOM 1249 CZ TYR A 82 6.144 7.171 7.009 1.00 0.00 C ATOM 1250 OH TYR A 82 6.724 8.405 7.198 1.00 0.00 O ATOM 0 H TYR A 82 3.549 2.495 3.931 1.00 0.00 H new ATOM 0 HA TYR A 82 6.120 2.709 5.387 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.302 3.459 6.106 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.314 2.790 7.371 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.528 3.953 7.904 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.572 5.723 5.399 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.561 6.153 8.244 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.605 7.925 5.733 1.00 0.00 H new ATOM 0 HH TYR A 82 6.064 9.107 7.020 1.00 0.00 H new ATOM 1260 N HIS A 83 5.984 0.400 6.274 1.00 0.00 N ATOM 1261 CA HIS A 83 5.976 -1.006 6.664 1.00 0.00 C ATOM 1262 C HIS A 83 5.890 -1.148 8.181 1.00 0.00 C ATOM 1263 O HIS A 83 6.876 -0.943 8.890 1.00 0.00 O ATOM 1264 CB HIS A 83 7.231 -1.708 6.145 1.00 0.00 C ATOM 1265 CG HIS A 83 7.222 -3.190 6.365 1.00 0.00 C ATOM 1266 ND1 HIS A 83 8.075 -3.825 7.242 1.00 0.00 N ATOM 1267 CD2 HIS A 83 6.457 -4.162 5.816 1.00 0.00 C ATOM 1268 CE1 HIS A 83 7.836 -5.124 7.223 1.00 0.00 C ATOM 1269 NE2 HIS A 83 6.857 -5.355 6.366 1.00 0.00 N ATOM 0 H HIS A 83 6.868 0.880 6.443 1.00 0.00 H new ATOM 0 HA HIS A 83 5.097 -1.475 6.222 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.335 -1.508 5.079 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.106 -1.281 6.636 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.677 -4.025 5.082 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.353 -5.870 7.808 1.00 0.00 H new ATOM 0 HE2 HIS A 83 6.463 -6.270 6.148 1.00 0.00 H new ATOM 1278 N CYS A 84 4.706 -1.499 8.671 1.00 0.00 N ATOM 1279 CA CYS A 84 4.491 -1.667 10.104 1.00 0.00 C ATOM 1280 C CYS A 84 4.603 -3.135 10.502 1.00 0.00 C ATOM 1281 O CYS A 84 3.770 -3.958 10.122 1.00 0.00 O ATOM 1282 CB CYS A 84 3.119 -1.121 10.502 1.00 0.00 C ATOM 1283 SG CYS A 84 2.930 -0.824 12.276 1.00 0.00 S ATOM 0 H CYS A 84 3.881 -1.673 8.097 1.00 0.00 H new ATOM 0 HA CYS A 84 5.264 -1.107 10.631 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.942 -0.188 9.967 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.352 -1.824 10.178 1.00 0.00 H new ATOM 0 HG CYS A 84 2.859 0.455 12.497 1.00 0.00 H new ATOM 1289 N LYS A 85 5.639 -3.458 11.268 1.00 0.00 N ATOM 1290 CA LYS A 85 5.862 -4.827 11.718 1.00 0.00 C ATOM 1291 C LYS A 85 5.954 -4.891 13.240 1.00 0.00 C ATOM 1292 O LYS A 85 7.010 -4.635 13.818 1.00 0.00 O ATOM 1293 CB LYS A 85 7.141 -5.389 11.095 1.00 0.00 C ATOM 1294 CG LYS A 85 7.468 -6.802 11.546 1.00 0.00 C ATOM 1295 CD LYS A 85 8.818 -7.257 11.019 1.00 0.00 C ATOM 1296 CE LYS A 85 9.136 -8.680 11.454 1.00 0.00 C ATOM 1297 NZ LYS A 85 9.241 -8.796 12.935 1.00 0.00 N ATOM 0 H LYS A 85 6.339 -2.789 11.591 1.00 0.00 H new ATOM 0 HA LYS A 85 5.014 -5.431 11.397 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.042 -5.377 10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.975 -4.734 11.346 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.468 -6.846 12.635 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.692 -7.484 11.199 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.823 -7.198 9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.596 -6.583 11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.359 -9.353 11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.073 -8.999 10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.638 -9.725 13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.862 -8.045 13.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.296 -8.699 13.359 1.00 0.00 H new ATOM 1311 N ASP A 86 4.843 -5.236 13.881 1.00 0.00 N ATOM 1312 CA ASP A 86 4.800 -5.337 15.335 1.00 0.00 C ATOM 1313 C ASP A 86 5.127 -3.995 15.983 1.00 0.00 C ATOM 1314 O ASP A 86 5.776 -3.939 17.026 1.00 0.00 O ATOM 1315 CB ASP A 86 5.780 -6.405 15.823 1.00 0.00 C ATOM 1316 CG ASP A 86 5.406 -7.795 15.347 1.00 0.00 C ATOM 1317 OD1 ASP A 86 4.723 -7.902 14.307 1.00 0.00 O ATOM 1318 OD2 ASP A 86 5.796 -8.775 16.014 1.00 0.00 O ATOM 0 H ASP A 86 3.960 -5.450 13.417 1.00 0.00 H new ATOM 0 HA ASP A 86 3.789 -5.623 15.625 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.783 -6.161 15.472 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.812 -6.394 16.912 1.00 0.00 H new ATOM 1323 N GLY A 87 4.673 -2.914 15.355 1.00 0.00 N ATOM 1324 CA GLY A 87 4.929 -1.587 15.884 1.00 0.00 C ATOM 1325 C GLY A 87 6.019 -0.859 15.122 1.00 0.00 C ATOM 1326 O GLY A 87 5.879 0.321 14.803 1.00 0.00 O ATOM 0 H GLY A 87 4.133 -2.934 14.490 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.011 -1.001 15.847 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.214 -1.666 16.933 1.00 0.00 H new ATOM 1330 N GLU A 88 7.108 -1.564 14.833 1.00 0.00 N ATOM 1331 CA GLU A 88 8.227 -0.976 14.107 1.00 0.00 C ATOM 1332 C GLU A 88 7.793 -0.517 12.718 1.00 0.00 C ATOM 1333 O GLU A 88 7.036 -1.205 12.032 1.00 0.00 O ATOM 1334 CB GLU A 88 9.373 -1.983 13.988 1.00 0.00 C ATOM 1335 CG GLU A 88 9.297 -2.847 12.740 1.00 0.00 C ATOM 1336 CD GLU A 88 10.148 -4.098 12.844 1.00 0.00 C ATOM 1337 OE1 GLU A 88 10.399 -4.551 13.981 1.00 0.00 O ATOM 1338 OE2 GLU A 88 10.562 -4.624 11.790 1.00 0.00 O ATOM 0 H GLU A 88 7.239 -2.542 15.090 1.00 0.00 H new ATOM 0 HA GLU A 88 8.573 -0.107 14.667 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.321 -1.444 13.990 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.372 -2.628 14.867 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.260 -3.131 12.562 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.620 -2.263 11.878 1.00 0.00 H new ATOM 1345 N PHE A 89 8.278 0.651 12.309 1.00 0.00 N ATOM 1346 CA PHE A 89 7.939 1.204 11.002 1.00 0.00 C ATOM 1347 C PHE A 89 9.188 1.368 10.141 1.00 0.00 C ATOM 1348 O PHE A 89 10.298 1.504 10.657 1.00 0.00 O ATOM 1349 CB PHE A 89 7.236 2.553 11.163 1.00 0.00 C ATOM 1350 CG PHE A 89 5.773 2.433 11.483 1.00 0.00 C ATOM 1351 CD1 PHE A 89 4.854 2.147 10.487 1.00 0.00 C ATOM 1352 CD2 PHE A 89 5.318 2.605 12.780 1.00 0.00 C ATOM 1353 CE1 PHE A 89 3.507 2.034 10.778 1.00 0.00 C ATOM 1354 CE2 PHE A 89 3.973 2.494 13.078 1.00 0.00 C ATOM 1355 CZ PHE A 89 3.066 2.209 12.075 1.00 0.00 C ATOM 0 H PHE A 89 8.907 1.233 12.863 1.00 0.00 H new ATOM 0 HA PHE A 89 7.264 0.508 10.504 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.728 3.118 11.955 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.353 3.126 10.243 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.194 2.011 9.471 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.022 2.828 13.568 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.801 1.809 9.992 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.631 2.630 14.093 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.014 2.123 12.305 1.00 0.00 H new ATOM 1365 N ARG A 90 8.999 1.354 8.826 1.00 0.00 N ATOM 1366 CA ARG A 90 10.109 1.499 7.892 1.00 0.00 C ATOM 1367 C ARG A 90 9.635 2.101 6.572 1.00 0.00 C ATOM 1368 O ARG A 90 8.800 1.520 5.879 1.00 0.00 O ATOM 1369 CB ARG A 90 10.771 0.143 7.639 1.00 0.00 C ATOM 1370 CG ARG A 90 11.747 -0.271 8.727 1.00 0.00 C ATOM 1371 CD ARG A 90 12.479 -1.553 8.361 1.00 0.00 C ATOM 1372 NE ARG A 90 13.573 -1.841 9.284 1.00 0.00 N ATOM 1373 CZ ARG A 90 13.412 -2.478 10.439 1.00 0.00 C ATOM 1374 NH1 ARG A 90 12.208 -2.891 10.810 1.00 0.00 N ATOM 1375 NH2 ARG A 90 14.457 -2.704 11.225 1.00 0.00 N ATOM 0 H ARG A 90 8.087 1.244 8.383 1.00 0.00 H new ATOM 0 HA ARG A 90 10.839 2.175 8.337 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.996 -0.619 7.549 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.297 0.177 6.685 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.470 0.528 8.892 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.210 -0.413 9.665 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.775 -2.385 8.362 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.872 -1.469 7.348 1.00 0.00 H new ATOM 0 HE ARG A 90 14.512 -1.537 9.028 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.402 -2.720 10.208 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.087 -3.380 11.697 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.385 -2.389 10.943 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.332 -3.193 12.111 1.00 0.00 H new ATOM 1389 N ARG A 91 10.173 3.267 6.233 1.00 0.00 N ATOM 1390 CA ARG A 91 9.803 3.948 4.997 1.00 0.00 C ATOM 1391 C ARG A 91 10.230 3.134 3.779 1.00 0.00 C ATOM 1392 O ARG A 91 11.414 2.855 3.591 1.00 0.00 O ATOM 1393 CB ARG A 91 10.441 5.337 4.945 1.00 0.00 C ATOM 1394 CG ARG A 91 10.074 6.130 3.701 1.00 0.00 C ATOM 1395 CD ARG A 91 10.417 7.603 3.858 1.00 0.00 C ATOM 1396 NE ARG A 91 11.786 7.894 3.440 1.00 0.00 N ATOM 1397 CZ ARG A 91 12.191 7.859 2.175 1.00 0.00 C ATOM 1398 NH1 ARG A 91 11.337 7.548 1.210 1.00 0.00 N ATOM 1399 NH2 ARG A 91 13.453 8.136 1.874 1.00 0.00 N ATOM 0 H ARG A 91 10.866 3.760 6.796 1.00 0.00 H new ATOM 0 HA ARG A 91 8.718 4.053 4.980 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.137 5.900 5.827 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.525 5.232 4.992 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.602 5.722 2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.008 6.023 3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.723 8.202 3.268 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.286 7.897 4.899 1.00 0.00 H new ATOM 0 HE ARG A 91 12.468 8.137 4.158 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.366 7.335 1.438 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.651 7.522 0.240 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.113 8.376 2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.763 8.109 0.903 1.00 0.00 H new ATOM 1413 N TYR A 92 9.258 2.756 2.957 1.00 0.00 N ATOM 1414 CA TYR A 92 9.532 1.972 1.759 1.00 0.00 C ATOM 1415 C TYR A 92 10.521 2.695 0.849 1.00 0.00 C ATOM 1416 O TYR A 92 10.243 3.788 0.358 1.00 0.00 O ATOM 1417 CB TYR A 92 8.235 1.691 0.999 1.00 0.00 C ATOM 1418 CG TYR A 92 8.360 0.586 -0.025 1.00 0.00 C ATOM 1419 CD1 TYR A 92 8.862 0.843 -1.295 1.00 0.00 C ATOM 1420 CD2 TYR A 92 7.975 -0.715 0.276 1.00 0.00 C ATOM 1421 CE1 TYR A 92 8.977 -0.163 -2.235 1.00 0.00 C ATOM 1422 CE2 TYR A 92 8.088 -1.727 -0.656 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.590 -1.447 -1.910 1.00 0.00 C ATOM 1424 OH TYR A 92 8.703 -2.452 -2.843 1.00 0.00 O ATOM 0 H TYR A 92 8.273 2.980 3.098 1.00 0.00 H new ATOM 0 HA TYR A 92 9.975 1.026 2.069 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.455 1.426 1.713 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.912 2.604 0.498 1.00 0.00 H new ATOM 0 HD1 TYR A 92 9.168 1.847 -1.552 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.580 -0.938 1.256 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.367 0.054 -3.218 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.785 -2.733 -0.405 1.00 0.00 H new ATOM 0 HH TYR A 92 7.812 -2.792 -3.067 1.00 0.00 H new ATOM 1434 N GLN A 93 11.675 2.074 0.629 1.00 0.00 N ATOM 1435 CA GLN A 93 12.706 2.658 -0.222 1.00 0.00 C ATOM 1436 C GLN A 93 12.926 1.810 -1.470 1.00 0.00 C ATOM 1437 O GLN A 93 13.923 1.097 -1.581 1.00 0.00 O ATOM 1438 CB GLN A 93 14.018 2.797 0.553 1.00 0.00 C ATOM 1439 CG GLN A 93 13.935 3.768 1.719 1.00 0.00 C ATOM 1440 CD GLN A 93 15.299 4.140 2.266 1.00 0.00 C ATOM 1441 OE1 GLN A 93 16.329 3.730 1.730 1.00 0.00 O ATOM 1442 NE2 GLN A 93 15.314 4.922 3.340 1.00 0.00 N ATOM 0 H GLN A 93 11.920 1.168 1.027 1.00 0.00 H new ATOM 0 HA GLN A 93 12.369 3.647 -0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.315 1.817 0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.800 3.128 -0.130 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.417 4.672 1.398 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.337 3.324 2.515 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.437 5.239 3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 93 16.203 5.205 3.752 1.00 0.00 H new ATOM 1451 N GLY A 94 11.988 1.892 -2.409 1.00 0.00 N ATOM 1452 CA GLY A 94 12.098 1.126 -3.637 1.00 0.00 C ATOM 1453 C GLY A 94 11.295 1.731 -4.771 1.00 0.00 C ATOM 1454 O GLY A 94 10.731 2.819 -4.649 1.00 0.00 O ATOM 0 H GLY A 94 11.154 2.475 -2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 94 13.146 1.064 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.757 0.107 -3.458 1.00 0.00 H new ATOM 1458 N PRO A 95 11.239 1.020 -5.907 1.00 0.00 N ATOM 1459 CA PRO A 95 10.503 1.475 -7.090 1.00 0.00 C ATOM 1460 C PRO A 95 8.993 1.445 -6.881 1.00 0.00 C ATOM 1461 O PRO A 95 8.237 2.021 -7.663 1.00 0.00 O ATOM 1462 CB PRO A 95 10.913 0.470 -8.170 1.00 0.00 C ATOM 1463 CG PRO A 95 11.294 -0.759 -7.420 1.00 0.00 C ATOM 1464 CD PRO A 95 11.888 -0.284 -6.122 1.00 0.00 C ATOM 0 HA PRO A 95 10.734 2.510 -7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.092 0.274 -8.860 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.746 0.845 -8.764 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.425 -1.393 -7.243 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.013 -1.353 -7.984 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.678 -0.977 -5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.972 -0.188 -6.187 1.00 0.00 H new ATOM 1472 N ARG A 96 8.560 0.770 -5.821 1.00 0.00 N ATOM 1473 CA ARG A 96 7.140 0.665 -5.510 1.00 0.00 C ATOM 1474 C ARG A 96 6.385 -0.026 -6.641 1.00 0.00 C ATOM 1475 O ARG A 96 5.355 0.463 -7.106 1.00 0.00 O ATOM 1476 CB ARG A 96 6.547 2.053 -5.260 1.00 0.00 C ATOM 1477 CG ARG A 96 7.012 2.690 -3.961 1.00 0.00 C ATOM 1478 CD ARG A 96 6.640 4.164 -3.899 1.00 0.00 C ATOM 1479 NE ARG A 96 7.682 5.015 -4.467 1.00 0.00 N ATOM 1480 CZ ARG A 96 8.879 5.180 -3.916 1.00 0.00 C ATOM 1481 NH1 ARG A 96 9.185 4.553 -2.788 1.00 0.00 N ATOM 1482 NH2 ARG A 96 9.773 5.972 -4.493 1.00 0.00 N ATOM 0 H ARG A 96 9.173 0.288 -5.163 1.00 0.00 H new ATOM 0 HA ARG A 96 7.035 0.064 -4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.812 2.707 -6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.460 1.977 -5.249 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.565 2.165 -3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.093 2.582 -3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.706 4.325 -4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.463 4.450 -2.862 1.00 0.00 H new ATOM 0 HE ARG A 96 7.479 5.510 -5.335 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.500 3.943 -2.342 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.105 4.681 -2.367 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.541 6.455 -5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.692 6.098 -4.069 1.00 0.00 H new ATOM 1496 N THR A 97 6.905 -1.168 -7.081 1.00 0.00 N ATOM 1497 CA THR A 97 6.282 -1.927 -8.158 1.00 0.00 C ATOM 1498 C THR A 97 5.726 -3.251 -7.649 1.00 0.00 C ATOM 1499 O THR A 97 6.167 -3.767 -6.621 1.00 0.00 O ATOM 1500 CB THR A 97 7.280 -2.206 -9.298 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.487 -2.763 -8.767 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.597 -0.931 -10.064 1.00 0.00 C ATOM 0 H THR A 97 7.756 -1.587 -6.708 1.00 0.00 H new ATOM 0 HA THR A 97 5.464 -1.317 -8.542 1.00 0.00 H new ATOM 0 HB THR A 97 6.823 -2.919 -9.985 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.960 -3.251 -9.473 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.304 -1.153 -10.864 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.680 -0.526 -10.492 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.035 -0.199 -9.386 1.00 0.00 H new ATOM 1510 N LYS A 98 4.756 -3.799 -8.373 1.00 0.00 N ATOM 1511 CA LYS A 98 4.140 -5.065 -7.996 1.00 0.00 C ATOM 1512 C LYS A 98 5.202 -6.100 -7.634 1.00 0.00 C ATOM 1513 O LYS A 98 5.319 -6.506 -6.477 1.00 0.00 O ATOM 1514 CB LYS A 98 3.268 -5.592 -9.138 1.00 0.00 C ATOM 1515 CG LYS A 98 2.093 -6.432 -8.668 1.00 0.00 C ATOM 1516 CD LYS A 98 1.540 -7.294 -9.790 1.00 0.00 C ATOM 1517 CE LYS A 98 2.267 -8.627 -9.881 1.00 0.00 C ATOM 1518 NZ LYS A 98 1.825 -9.420 -11.061 1.00 0.00 N ATOM 0 H LYS A 98 4.379 -3.385 -9.226 1.00 0.00 H new ATOM 0 HA LYS A 98 3.515 -4.890 -7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.892 -4.748 -9.716 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.885 -6.189 -9.810 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.407 -7.068 -7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.307 -5.779 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.477 -7.469 -9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.632 -6.763 -10.737 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.341 -8.451 -9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.090 -9.200 -8.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.344 -10.321 -11.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.805 -9.610 -10.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.017 -8.884 -11.931 1.00 0.00 H new ATOM 1532 N LYS A 99 5.974 -6.521 -8.629 1.00 0.00 N ATOM 1533 CA LYS A 99 7.028 -7.506 -8.416 1.00 0.00 C ATOM 1534 C LYS A 99 7.864 -7.152 -7.190 1.00 0.00 C ATOM 1535 O LYS A 99 8.005 -7.957 -6.270 1.00 0.00 O ATOM 1536 CB LYS A 99 7.927 -7.596 -9.651 1.00 0.00 C ATOM 1537 CG LYS A 99 9.157 -8.464 -9.446 1.00 0.00 C ATOM 1538 CD LYS A 99 10.360 -7.637 -9.026 1.00 0.00 C ATOM 1539 CE LYS A 99 11.276 -8.417 -8.096 1.00 0.00 C ATOM 1540 NZ LYS A 99 12.273 -9.227 -8.850 1.00 0.00 N ATOM 0 H LYS A 99 5.890 -6.195 -9.592 1.00 0.00 H new ATOM 0 HA LYS A 99 6.557 -8.474 -8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.347 -7.993 -10.484 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.244 -6.592 -9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.949 -9.217 -8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.385 -8.997 -10.369 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.916 -7.327 -9.911 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.022 -6.728 -8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 99 11.796 -7.725 -7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.678 -9.074 -7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 12.878 -9.744 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 11.777 -9.905 -9.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.861 -8.598 -9.434 1.00 0.00 H new ATOM 1554 N ASP A 100 8.414 -5.943 -7.184 1.00 0.00 N ATOM 1555 CA ASP A 100 9.234 -5.481 -6.070 1.00 0.00 C ATOM 1556 C ASP A 100 8.555 -5.778 -4.736 1.00 0.00 C ATOM 1557 O ASP A 100 9.104 -6.485 -3.892 1.00 0.00 O ATOM 1558 CB ASP A 100 9.505 -3.981 -6.196 1.00 0.00 C ATOM 1559 CG ASP A 100 10.720 -3.683 -7.053 1.00 0.00 C ATOM 1560 OD1 ASP A 100 10.674 -3.969 -8.267 1.00 0.00 O ATOM 1561 OD2 ASP A 100 11.715 -3.161 -6.509 1.00 0.00 O ATOM 0 H ASP A 100 8.307 -5.265 -7.938 1.00 0.00 H new ATOM 0 HA ASP A 100 10.182 -6.017 -6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.631 -3.492 -6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.651 -3.556 -5.203 1.00 0.00 H new ATOM 1566 N PHE A 101 7.357 -5.231 -4.553 1.00 0.00 N ATOM 1567 CA PHE A 101 6.604 -5.435 -3.322 1.00 0.00 C ATOM 1568 C PHE A 101 6.782 -6.860 -2.805 1.00 0.00 C ATOM 1569 O PHE A 101 7.319 -7.075 -1.719 1.00 0.00 O ATOM 1570 CB PHE A 101 5.119 -5.146 -3.553 1.00 0.00 C ATOM 1571 CG PHE A 101 4.811 -3.684 -3.713 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.386 -2.746 -2.871 1.00 0.00 C ATOM 1573 CD2 PHE A 101 3.948 -3.249 -4.705 1.00 0.00 C ATOM 1574 CE1 PHE A 101 5.103 -1.400 -3.016 1.00 0.00 C ATOM 1575 CE2 PHE A 101 3.662 -1.905 -4.855 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.241 -0.980 -4.010 1.00 0.00 C ATOM 0 H PHE A 101 6.888 -4.643 -5.242 1.00 0.00 H new ATOM 0 HA PHE A 101 6.989 -4.744 -2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.788 -5.679 -4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.545 -5.540 -2.714 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.062 -3.069 -2.093 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.493 -3.969 -5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.556 -0.678 -2.353 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.987 -1.579 -5.632 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.020 0.071 -4.126 1.00 0.00 H new ATOM 1586 N ILE A 102 6.325 -7.829 -3.592 1.00 0.00 N ATOM 1587 CA ILE A 102 6.434 -9.233 -3.215 1.00 0.00 C ATOM 1588 C ILE A 102 7.703 -9.489 -2.409 1.00 0.00 C ATOM 1589 O ILE A 102 7.666 -10.137 -1.364 1.00 0.00 O ATOM 1590 CB ILE A 102 6.431 -10.150 -4.452 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.064 -10.114 -5.137 1.00 0.00 C ATOM 1592 CG2 ILE A 102 6.795 -11.573 -4.057 1.00 0.00 C ATOM 1593 CD1 ILE A 102 4.968 -9.085 -6.241 1.00 0.00 C ATOM 0 H ILE A 102 5.876 -7.668 -4.494 1.00 0.00 H new ATOM 0 HA ILE A 102 5.564 -9.463 -2.600 1.00 0.00 H new ATOM 0 HB ILE A 102 7.179 -9.787 -5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.848 -11.099 -5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.298 -9.906 -4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.789 -12.209 -4.942 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.789 -11.583 -3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.069 -11.948 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.971 -9.116 -6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.152 -8.092 -5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.711 -9.304 -7.008 1.00 0.00 H new ATOM 1605 N ASN A 103 8.825 -8.973 -2.902 1.00 0.00 N ATOM 1606 CA ASN A 103 10.106 -9.145 -2.226 1.00 0.00 C ATOM 1607 C ASN A 103 10.118 -8.413 -0.888 1.00 0.00 C ATOM 1608 O ASN A 103 10.478 -8.985 0.141 1.00 0.00 O ATOM 1609 CB ASN A 103 11.245 -8.632 -3.110 1.00 0.00 C ATOM 1610 CG ASN A 103 11.576 -9.590 -4.239 1.00 0.00 C ATOM 1611 OD1 ASN A 103 12.581 -10.299 -4.190 1.00 0.00 O ATOM 1612 ND2 ASN A 103 10.731 -9.613 -5.263 1.00 0.00 N ATOM 0 H ASN A 103 8.873 -8.433 -3.766 1.00 0.00 H new ATOM 0 HA ASN A 103 10.250 -10.209 -2.039 1.00 0.00 H new ATOM 0 HB2 ASN A 103 10.969 -7.664 -3.528 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.133 -8.474 -2.498 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.903 -10.236 -6.052 1.00 0.00 H new ATOM 0 HD22 ASN A 103 9.910 -9.007 -5.261 1.00 0.00 H new ATOM 1619 N PHE A 104 9.720 -7.146 -0.909 1.00 0.00 N ATOM 1620 CA PHE A 104 9.685 -6.335 0.303 1.00 0.00 C ATOM 1621 C PHE A 104 8.943 -7.060 1.421 1.00 0.00 C ATOM 1622 O PHE A 104 9.066 -6.706 2.594 1.00 0.00 O ATOM 1623 CB PHE A 104 9.016 -4.988 0.021 1.00 0.00 C ATOM 1624 CG PHE A 104 9.043 -4.049 1.193 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.244 -3.541 1.664 1.00 0.00 C ATOM 1626 CD2 PHE A 104 7.868 -3.674 1.825 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.272 -2.677 2.742 1.00 0.00 C ATOM 1628 CE2 PHE A 104 7.891 -2.809 2.903 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.094 -2.311 3.363 1.00 0.00 C ATOM 0 H PHE A 104 9.417 -6.658 -1.752 1.00 0.00 H new ATOM 0 HA PHE A 104 10.712 -6.163 0.625 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.513 -4.514 -0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.981 -5.160 -0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.168 -3.824 1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.924 -4.062 1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.214 -2.288 3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 104 6.968 -2.523 3.385 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.114 -1.637 4.206 1.00 0.00 H new ATOM 1639 N ILE A 105 8.173 -8.077 1.049 1.00 0.00 N ATOM 1640 CA ILE A 105 7.411 -8.853 2.020 1.00 0.00 C ATOM 1641 C ILE A 105 8.062 -10.209 2.273 1.00 0.00 C ATOM 1642 O ILE A 105 8.354 -10.566 3.414 1.00 0.00 O ATOM 1643 CB ILE A 105 5.960 -9.071 1.552 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.264 -7.727 1.331 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.196 -9.908 2.568 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.334 -6.806 2.530 1.00 0.00 C ATOM 0 H ILE A 105 8.060 -8.383 0.082 1.00 0.00 H new ATOM 0 HA ILE A 105 7.403 -8.279 2.946 1.00 0.00 H new ATOM 0 HB ILE A 105 5.977 -9.610 0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.717 -7.229 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.218 -7.905 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.172 -10.054 2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.682 -10.877 2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.186 -9.394 3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.820 -5.872 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.855 -7.284 3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.377 -6.597 2.768 1.00 0.00 H new ATOM 1658 N SER A 106 8.288 -10.960 1.199 1.00 0.00 N ATOM 1659 CA SER A 106 8.902 -12.278 1.304 1.00 0.00 C ATOM 1660 C SER A 106 10.404 -12.159 1.547 1.00 0.00 C ATOM 1661 O SER A 106 10.941 -12.750 2.485 1.00 0.00 O ATOM 1662 CB SER A 106 8.643 -13.088 0.033 1.00 0.00 C ATOM 1663 OG SER A 106 8.680 -14.479 0.298 1.00 0.00 O ATOM 0 H SER A 106 8.055 -10.678 0.247 1.00 0.00 H new ATOM 0 HA SER A 106 8.453 -12.794 2.153 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.671 -12.819 -0.381 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.391 -12.838 -0.720 1.00 0.00 H new ATOM 0 HG SER A 106 8.510 -14.974 -0.530 1.00 0.00 H new ATOM 1669 N ASP A 107 11.075 -11.391 0.696 1.00 0.00 N ATOM 1670 CA ASP A 107 12.515 -11.193 0.818 1.00 0.00 C ATOM 1671 C ASP A 107 12.850 -10.398 2.076 1.00 0.00 C ATOM 1672 O ASP A 107 13.970 -10.462 2.584 1.00 0.00 O ATOM 1673 CB ASP A 107 13.058 -10.471 -0.416 1.00 0.00 C ATOM 1674 CG ASP A 107 13.308 -11.415 -1.576 1.00 0.00 C ATOM 1675 OD1 ASP A 107 12.328 -11.806 -2.245 1.00 0.00 O ATOM 1676 OD2 ASP A 107 14.483 -11.761 -1.816 1.00 0.00 O ATOM 0 H ASP A 107 10.646 -10.896 -0.085 1.00 0.00 H new ATOM 0 HA ASP A 107 12.986 -12.173 0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.350 -9.701 -0.724 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.988 -9.964 -0.157 1.00 0.00 H new ATOM 1681 N LYS A 108 11.872 -9.649 2.574 1.00 0.00 N ATOM 1682 CA LYS A 108 12.062 -8.841 3.773 1.00 0.00 C ATOM 1683 C LYS A 108 13.192 -7.835 3.578 1.00 0.00 C ATOM 1684 O LYS A 108 14.138 -7.792 4.363 1.00 0.00 O ATOM 1685 CB LYS A 108 12.365 -9.738 4.975 1.00 0.00 C ATOM 1686 CG LYS A 108 11.644 -11.075 4.933 1.00 0.00 C ATOM 1687 CD LYS A 108 11.347 -11.591 6.331 1.00 0.00 C ATOM 1688 CE LYS A 108 9.991 -11.112 6.825 1.00 0.00 C ATOM 1689 NZ LYS A 108 8.902 -12.061 6.463 1.00 0.00 N ATOM 0 H LYS A 108 10.939 -9.585 2.166 1.00 0.00 H new ATOM 0 HA LYS A 108 11.139 -8.292 3.961 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.439 -9.915 5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.087 -9.213 5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.712 -10.970 4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.254 -11.802 4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.371 -12.681 6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.125 -11.255 7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.021 -10.990 7.908 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.775 -10.132 6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.994 -11.699 6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.856 -12.158 5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 9.095 -12.990 6.890 1.00 0.00 H new ATOM 1703 N GLU A 109 13.084 -7.027 2.528 1.00 0.00 N ATOM 1704 CA GLU A 109 14.098 -6.021 2.232 1.00 0.00 C ATOM 1705 C GLU A 109 14.079 -4.907 3.275 1.00 0.00 C ATOM 1706 O GLU A 109 15.072 -4.205 3.466 1.00 0.00 O ATOM 1707 CB GLU A 109 13.873 -5.433 0.837 1.00 0.00 C ATOM 1708 CG GLU A 109 13.970 -6.460 -0.279 1.00 0.00 C ATOM 1709 CD GLU A 109 14.060 -5.822 -1.652 1.00 0.00 C ATOM 1710 OE1 GLU A 109 14.598 -4.700 -1.751 1.00 0.00 O ATOM 1711 OE2 GLU A 109 13.592 -6.446 -2.627 1.00 0.00 O ATOM 0 H GLU A 109 12.306 -7.049 1.869 1.00 0.00 H new ATOM 0 HA GLU A 109 15.074 -6.506 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.889 -4.964 0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.607 -4.647 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.846 -7.087 -0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.099 -7.114 -0.243 1.00 0.00 H new ATOM 1718 N TRP A 110 12.943 -4.750 3.944 1.00 0.00 N ATOM 1719 CA TRP A 110 12.794 -3.721 4.967 1.00 0.00 C ATOM 1720 C TRP A 110 13.984 -3.725 5.920 1.00 0.00 C ATOM 1721 O TRP A 110 14.422 -2.673 6.386 1.00 0.00 O ATOM 1722 CB TRP A 110 11.497 -3.935 5.749 1.00 0.00 C ATOM 1723 CG TRP A 110 11.248 -5.369 6.106 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.664 -6.320 5.318 1.00 0.00 C ATOM 1725 CD2 TRP A 110 11.573 -6.013 7.343 1.00 0.00 C ATOM 1726 NE1 TRP A 110 10.607 -7.517 5.991 1.00 0.00 N ATOM 1727 CE2 TRP A 110 11.159 -7.355 7.234 1.00 0.00 C ATOM 1728 CE3 TRP A 110 12.175 -5.588 8.530 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 11.327 -8.271 8.269 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 12.341 -6.498 9.556 1.00 0.00 C ATOM 1731 CH2 TRP A 110 11.920 -7.828 9.420 1.00 0.00 C ATOM 0 H TRP A 110 12.111 -5.322 3.797 1.00 0.00 H new ATOM 0 HA TRP A 110 12.754 -2.752 4.470 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.530 -3.341 6.662 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.659 -3.565 5.158 1.00 0.00 H new ATOM 0 HD1 TRP A 110 10.301 -6.155 4.314 1.00 0.00 H new ATOM 0 HE1 TRP A 110 10.217 -8.385 5.624 1.00 0.00 H new ATOM 0 HE3 TRP A 110 12.505 -4.566 8.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 11.001 -9.295 8.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 12.803 -6.179 10.479 1.00 0.00 H new ATOM 0 HH2 TRP A 110 12.066 -8.516 10.239 1.00 0.00 H new ATOM 1742 N LYS A 111 14.502 -4.914 6.207 1.00 0.00 N ATOM 1743 CA LYS A 111 15.643 -5.055 7.104 1.00 0.00 C ATOM 1744 C LYS A 111 16.738 -4.053 6.754 1.00 0.00 C ATOM 1745 O LYS A 111 17.161 -3.262 7.597 1.00 0.00 O ATOM 1746 CB LYS A 111 16.200 -6.479 7.035 1.00 0.00 C ATOM 1747 CG LYS A 111 15.601 -7.417 8.068 1.00 0.00 C ATOM 1748 CD LYS A 111 14.369 -8.126 7.530 1.00 0.00 C ATOM 1749 CE LYS A 111 14.155 -9.468 8.213 1.00 0.00 C ATOM 1750 NZ LYS A 111 14.267 -9.361 9.694 1.00 0.00 N ATOM 0 H LYS A 111 14.150 -5.794 5.831 1.00 0.00 H new ATOM 0 HA LYS A 111 15.301 -4.854 8.119 1.00 0.00 H new ATOM 0 HB2 LYS A 111 16.017 -6.884 6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 111 17.281 -6.444 7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 111 16.346 -8.155 8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.336 -6.853 8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.492 -7.497 7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.475 -8.276 6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.171 -9.856 7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.889 -10.184 7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.919 -10.237 10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.262 -9.214 9.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.698 -8.557 10.028 1.00 0.00 H new ATOM 1764 N SER A 112 17.192 -4.091 5.505 1.00 0.00 N ATOM 1765 CA SER A 112 18.239 -3.187 5.044 1.00 0.00 C ATOM 1766 C SER A 112 17.844 -1.732 5.282 1.00 0.00 C ATOM 1767 O SER A 112 18.701 -0.854 5.386 1.00 0.00 O ATOM 1768 CB SER A 112 18.521 -3.414 3.558 1.00 0.00 C ATOM 1769 OG SER A 112 19.208 -4.637 3.351 1.00 0.00 O ATOM 0 H SER A 112 16.851 -4.738 4.794 1.00 0.00 H new ATOM 0 HA SER A 112 19.144 -3.398 5.614 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.583 -3.422 3.003 1.00 0.00 H new ATOM 0 HB3 SER A 112 19.116 -2.588 3.167 1.00 0.00 H new ATOM 0 HG SER A 112 19.375 -4.760 2.393 1.00 0.00 H new ATOM 1775 N ILE A 113 16.541 -1.485 5.366 1.00 0.00 N ATOM 1776 CA ILE A 113 16.032 -0.138 5.592 1.00 0.00 C ATOM 1777 C ILE A 113 15.963 0.181 7.081 1.00 0.00 C ATOM 1778 O ILE A 113 15.543 -0.651 7.885 1.00 0.00 O ATOM 1779 CB ILE A 113 14.634 0.046 4.974 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.681 -0.209 3.466 1.00 0.00 C ATOM 1781 CG2 ILE A 113 14.107 1.443 5.263 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.315 -0.278 2.821 1.00 0.00 C ATOM 0 H ILE A 113 15.819 -2.200 5.281 1.00 0.00 H new ATOM 0 HA ILE A 113 16.728 0.548 5.108 1.00 0.00 H new ATOM 0 HB ILE A 113 13.956 -0.678 5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.259 0.583 2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.209 -1.144 3.280 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.118 1.558 4.820 1.00 0.00 H new ATOM 0 HG22 ILE A 113 14.041 1.591 6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 113 14.784 2.183 4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.426 -0.461 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.741 -1.089 3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 113 12.792 0.666 2.975 1.00 0.00 H new ATOM 1794 N GLU A 114 16.378 1.391 7.442 1.00 0.00 N ATOM 1795 CA GLU A 114 16.361 1.820 8.835 1.00 0.00 C ATOM 1796 C GLU A 114 14.936 2.103 9.301 1.00 0.00 C ATOM 1797 O GLU A 114 14.092 2.582 8.544 1.00 0.00 O ATOM 1798 CB GLU A 114 17.226 3.069 9.018 1.00 0.00 C ATOM 1799 CG GLU A 114 18.698 2.763 9.243 1.00 0.00 C ATOM 1800 CD GLU A 114 18.953 2.071 10.568 1.00 0.00 C ATOM 1801 OE1 GLU A 114 18.691 2.690 11.620 1.00 0.00 O ATOM 1802 OE2 GLU A 114 19.416 0.911 10.553 1.00 0.00 O ATOM 0 H GLU A 114 16.730 2.091 6.789 1.00 0.00 H new ATOM 0 HA GLU A 114 16.769 1.011 9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.126 3.702 8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.849 3.641 9.866 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.063 2.133 8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.268 3.691 9.206 1.00 0.00 H new ATOM 1809 N PRO A 115 14.660 1.798 10.578 1.00 0.00 N ATOM 1810 CA PRO A 115 13.338 2.010 11.174 1.00 0.00 C ATOM 1811 C PRO A 115 13.014 3.490 11.355 1.00 0.00 C ATOM 1812 O PRO A 115 13.913 4.322 11.480 1.00 0.00 O ATOM 1813 CB PRO A 115 13.447 1.317 12.535 1.00 0.00 C ATOM 1814 CG PRO A 115 14.902 1.338 12.855 1.00 0.00 C ATOM 1815 CD PRO A 115 15.618 1.224 11.538 1.00 0.00 C ATOM 0 HA PRO A 115 12.540 1.619 10.543 1.00 0.00 H new ATOM 0 HB2 PRO A 115 12.867 1.842 13.294 1.00 0.00 H new ATOM 0 HB3 PRO A 115 13.066 0.297 12.491 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.175 2.260 13.369 1.00 0.00 H new ATOM 0 HG3 PRO A 115 15.168 0.513 13.516 1.00 0.00 H new ATOM 0 HD2 PRO A 115 16.559 1.773 11.544 1.00 0.00 H new ATOM 0 HD3 PRO A 115 15.855 0.188 11.298 1.00 0.00 H new ATOM 1823 N VAL A 116 11.724 3.811 11.367 1.00 0.00 N ATOM 1824 CA VAL A 116 11.282 5.190 11.534 1.00 0.00 C ATOM 1825 C VAL A 116 11.394 5.631 12.989 1.00 0.00 C ATOM 1826 O VAL A 116 11.184 4.838 13.907 1.00 0.00 O ATOM 1827 CB VAL A 116 9.826 5.373 11.064 1.00 0.00 C ATOM 1828 CG1 VAL A 116 9.435 6.843 11.099 1.00 0.00 C ATOM 1829 CG2 VAL A 116 9.641 4.797 9.669 1.00 0.00 C ATOM 0 H VAL A 116 10.967 3.135 11.263 1.00 0.00 H new ATOM 0 HA VAL A 116 11.935 5.809 10.919 1.00 0.00 H new ATOM 0 HB VAL A 116 9.171 4.831 11.746 1.00 0.00 H new ATOM 0 HG11 VAL A 116 8.404 6.953 10.764 1.00 0.00 H new ATOM 0 HG12 VAL A 116 9.528 7.220 12.117 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.093 7.410 10.441 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.607 4.935 9.353 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.305 5.310 8.973 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.878 3.733 9.680 1.00 0.00 H new ATOM 1839 N SER A 117 11.724 6.902 13.193 1.00 0.00 N ATOM 1840 CA SER A 117 11.868 7.449 14.537 1.00 0.00 C ATOM 1841 C SER A 117 10.789 6.898 15.465 1.00 0.00 C ATOM 1842 O SER A 117 9.697 6.542 15.023 1.00 0.00 O ATOM 1843 CB SER A 117 11.793 8.977 14.500 1.00 0.00 C ATOM 1844 OG SER A 117 13.068 9.544 14.253 1.00 0.00 O ATOM 0 H SER A 117 11.897 7.573 12.444 1.00 0.00 H new ATOM 0 HA SER A 117 12.843 7.150 14.922 1.00 0.00 H new ATOM 0 HB2 SER A 117 11.095 9.291 13.724 1.00 0.00 H new ATOM 0 HB3 SER A 117 11.404 9.348 15.448 1.00 0.00 H new ATOM 0 HG SER A 117 12.993 10.521 14.232 1.00 0.00 H new ATOM 1850 N SER A 118 11.105 6.832 16.755 1.00 0.00 N ATOM 1851 CA SER A 118 10.165 6.321 17.746 1.00 0.00 C ATOM 1852 C SER A 118 8.734 6.709 17.389 1.00 0.00 C ATOM 1853 O SER A 118 8.462 7.853 17.022 1.00 0.00 O ATOM 1854 CB SER A 118 10.518 6.854 19.136 1.00 0.00 C ATOM 1855 OG SER A 118 11.673 6.213 19.650 1.00 0.00 O ATOM 0 H SER A 118 12.004 7.126 17.138 1.00 0.00 H new ATOM 0 HA SER A 118 10.237 5.233 17.752 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.688 7.929 19.084 1.00 0.00 H new ATOM 0 HB3 SER A 118 9.679 6.696 19.813 1.00 0.00 H new ATOM 0 HG SER A 118 11.879 6.572 20.538 1.00 0.00 H new ATOM 1861 N TRP A 119 7.823 5.749 17.498 1.00 0.00 N ATOM 1862 CA TRP A 119 6.418 5.990 17.187 1.00 0.00 C ATOM 1863 C TRP A 119 5.756 6.832 18.272 1.00 0.00 C ATOM 1864 O TRP A 119 5.918 6.566 19.463 1.00 0.00 O ATOM 1865 CB TRP A 119 5.675 4.662 17.030 1.00 0.00 C ATOM 1866 CG TRP A 119 4.185 4.802 17.116 1.00 0.00 C ATOM 1867 CD1 TRP A 119 3.405 4.595 18.217 1.00 0.00 C ATOM 1868 CD2 TRP A 119 3.297 5.178 16.057 1.00 0.00 C ATOM 1869 NE1 TRP A 119 2.085 4.819 17.907 1.00 0.00 N ATOM 1870 CE2 TRP A 119 1.992 5.179 16.589 1.00 0.00 C ATOM 1871 CE3 TRP A 119 3.477 5.516 14.713 1.00 0.00 C ATOM 1872 CZ2 TRP A 119 0.877 5.503 15.821 1.00 0.00 C ATOM 1873 CZ3 TRP A 119 2.368 5.837 13.953 1.00 0.00 C ATOM 1874 CH2 TRP A 119 1.082 5.830 14.509 1.00 0.00 C ATOM 0 H TRP A 119 8.031 4.797 17.799 1.00 0.00 H new ATOM 0 HA TRP A 119 6.369 6.540 16.247 1.00 0.00 H new ATOM 0 HB2 TRP A 119 5.936 4.219 16.069 1.00 0.00 H new ATOM 0 HB3 TRP A 119 6.013 3.971 17.802 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.771 4.299 19.189 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.301 4.731 18.554 1.00 0.00 H new ATOM 0 HE3 TRP A 119 4.465 5.526 14.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.116 5.496 16.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 2.495 6.098 12.913 1.00 0.00 H new ATOM 0 HH2 TRP A 119 0.236 6.088 13.889 1.00 0.00 H new ATOM 1885 N PHE A 120 5.010 7.849 17.853 1.00 0.00 N ATOM 1886 CA PHE A 120 4.324 8.730 18.790 1.00 0.00 C ATOM 1887 C PHE A 120 2.994 9.208 18.214 1.00 0.00 C ATOM 1888 O PHE A 120 2.933 9.691 17.084 1.00 0.00 O ATOM 1889 CB PHE A 120 5.206 9.933 19.131 1.00 0.00 C ATOM 1890 CG PHE A 120 5.326 10.925 18.009 1.00 0.00 C ATOM 1891 CD1 PHE A 120 4.302 11.821 17.746 1.00 0.00 C ATOM 1892 CD2 PHE A 120 6.463 10.961 17.218 1.00 0.00 C ATOM 1893 CE1 PHE A 120 4.410 12.735 16.715 1.00 0.00 C ATOM 1894 CE2 PHE A 120 6.576 11.874 16.186 1.00 0.00 C ATOM 1895 CZ PHE A 120 5.548 12.760 15.933 1.00 0.00 C ATOM 0 H PHE A 120 4.865 8.083 16.871 1.00 0.00 H new ATOM 0 HA PHE A 120 4.124 8.165 19.700 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.798 10.436 20.008 1.00 0.00 H new ATOM 0 HB3 PHE A 120 6.201 9.579 19.401 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.409 11.805 18.354 1.00 0.00 H new ATOM 0 HD2 PHE A 120 7.269 10.269 17.410 1.00 0.00 H new ATOM 0 HE1 PHE A 120 3.605 13.429 16.521 1.00 0.00 H new ATOM 0 HE2 PHE A 120 7.468 11.894 15.578 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.634 13.471 15.125 1.00 0.00 H new ATOM 1905 N SER A 121 1.931 9.068 19.000 1.00 0.00 N ATOM 1906 CA SER A 121 0.601 9.480 18.568 1.00 0.00 C ATOM 1907 C SER A 121 -0.348 9.587 19.757 1.00 0.00 C ATOM 1908 O SER A 121 -0.624 8.598 20.436 1.00 0.00 O ATOM 1909 CB SER A 121 0.045 8.489 17.544 1.00 0.00 C ATOM 1910 OG SER A 121 -1.206 8.924 17.040 1.00 0.00 O ATOM 0 H SER A 121 1.965 8.672 19.939 1.00 0.00 H new ATOM 0 HA SER A 121 0.685 10.463 18.104 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.752 8.375 16.722 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.067 7.508 18.006 1.00 0.00 H new ATOM 0 HG SER A 121 -1.539 8.274 16.386 1.00 0.00 H new ATOM 1916 N GLY A 122 -0.845 10.795 20.004 1.00 0.00 N ATOM 1917 CA GLY A 122 -1.758 11.010 21.111 1.00 0.00 C ATOM 1918 C GLY A 122 -1.052 11.511 22.356 1.00 0.00 C ATOM 1919 O GLY A 122 0.067 12.023 22.297 1.00 0.00 O ATOM 0 H GLY A 122 -0.631 11.629 19.457 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.520 11.730 20.815 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -2.273 10.077 21.340 1.00 0.00 H new ATOM 1923 N PRO A 123 -1.713 11.368 23.514 1.00 0.00 N ATOM 1924 CA PRO A 123 -1.160 11.805 24.800 1.00 0.00 C ATOM 1925 C PRO A 123 0.014 10.942 25.250 1.00 0.00 C ATOM 1926 O PRO A 123 0.979 11.443 25.826 1.00 0.00 O ATOM 1927 CB PRO A 123 -2.339 11.648 25.764 1.00 0.00 C ATOM 1928 CG PRO A 123 -3.198 10.599 25.145 1.00 0.00 C ATOM 1929 CD PRO A 123 -3.049 10.767 23.658 1.00 0.00 C ATOM 0 HA PRO A 123 -0.764 12.819 24.750 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -2.002 11.349 26.756 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -2.882 12.586 25.881 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -2.885 9.603 25.459 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -4.238 10.717 25.449 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -3.118 9.812 23.137 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -3.826 11.412 23.247 1.00 0.00 H new ATOM 1937 N SER A 124 -0.075 9.643 24.982 1.00 0.00 N ATOM 1938 CA SER A 124 0.979 8.711 25.362 1.00 0.00 C ATOM 1939 C SER A 124 1.417 8.945 26.805 1.00 0.00 C ATOM 1940 O SER A 124 2.610 8.953 27.110 1.00 0.00 O ATOM 1941 CB SER A 124 2.179 8.853 24.424 1.00 0.00 C ATOM 1942 OG SER A 124 1.943 8.195 23.191 1.00 0.00 O ATOM 0 H SER A 124 -0.866 9.213 24.503 1.00 0.00 H new ATOM 0 HA SER A 124 0.581 7.699 25.280 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.381 9.909 24.244 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.067 8.435 24.899 1.00 0.00 H new ATOM 0 HG SER A 124 2.724 8.302 22.608 1.00 0.00 H new ATOM 1948 N SER A 125 0.443 9.136 27.689 1.00 0.00 N ATOM 1949 CA SER A 125 0.726 9.374 29.099 1.00 0.00 C ATOM 1950 C SER A 125 0.469 8.118 29.925 1.00 0.00 C ATOM 1951 O SER A 125 -0.662 7.846 30.326 1.00 0.00 O ATOM 1952 CB SER A 125 -0.129 10.528 29.625 1.00 0.00 C ATOM 1953 OG SER A 125 0.215 10.850 30.961 1.00 0.00 O ATOM 0 H SER A 125 -0.549 9.131 27.453 1.00 0.00 H new ATOM 0 HA SER A 125 1.779 9.639 29.192 1.00 0.00 H new ATOM 0 HB2 SER A 125 0.006 11.404 28.990 1.00 0.00 H new ATOM 0 HB3 SER A 125 -1.183 10.257 29.573 1.00 0.00 H new ATOM 0 HG SER A 125 -0.345 11.591 31.273 1.00 0.00 H new ATOM 1959 N GLY A 126 1.528 7.354 30.175 1.00 0.00 N ATOM 1960 CA GLY A 126 1.396 6.135 30.952 1.00 0.00 C ATOM 1961 C GLY A 126 0.253 5.263 30.473 1.00 0.00 C ATOM 1962 O GLY A 126 0.471 4.257 29.798 1.00 0.00 O ATOM 0 H GLY A 126 2.474 7.557 29.854 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.327 5.571 30.898 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.239 6.391 32.000 1.00 0.00 H new TER 1966 GLY A 126