USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 469 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 35 SER OG : rot 145:sc= 0.238 USER MOD Set 1.2: A 37 TYR OH : rot 180:sc= 0.229 USER MOD Set 2.1: A 21 SER OG : rot -68:sc= -0.203 USER MOD Set 2.2: A 25 ASN : amide:sc= -9.9! C(o=-10!,f=-9.7!) USER MOD Set 3.1: A 14 TYR OH : rot -12:sc= 1.32 USER MOD Set 3.2: A 23 TYR OH : rot 127:sc= 1.55 USER MOD Single : A 1 ALA N :NH3+ 174:sc= -0.102 (180deg=-0.139) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0668) USER MOD Single : A 10 HIS : no HD1:sc= -2.85 K(o=-2.8,f=-4.7!) USER MOD Single : A 11 ASN : amide:sc= -0.0576 X(o=-0.058,f=-0.058) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 79:sc= 1.07 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc=-0.00135 K(o=-0.0013,f=-1.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc= -4.17! C(o=-6.5!,f=-4.2!) USER MOD Single : A 43 THR OG1 : rot 176:sc= -1.94! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.64 K(o=-1.6,f=-2.7!) USER MOD Single : A 56 ASN : amide:sc= -2.15! C(o=-2.2!,f=-2.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.932 X(o=-0.93,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.673 8.284 7.573 1.00 0.00 N ATOM 2 CA ALA A 1 -6.626 9.176 6.998 1.00 0.00 C ATOM 3 C ALA A 1 -5.355 8.365 6.737 1.00 0.00 C ATOM 4 O ALA A 1 -4.304 8.913 6.465 1.00 0.00 O ATOM 5 CB ALA A 1 -6.318 10.303 7.986 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.501 8.851 7.845 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.955 7.578 6.864 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.294 7.800 8.412 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.985 9.602 6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.552 10.956 7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.224 10.880 8.174 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.958 9.877 8.923 1.00 0.00 H new ATOM 13 N ARG A 2 -5.442 7.066 6.817 1.00 0.00 N ATOM 14 CA ARG A 2 -4.240 6.220 6.573 1.00 0.00 C ATOM 15 C ARG A 2 -4.632 5.027 5.697 1.00 0.00 C ATOM 16 O ARG A 2 -5.793 4.688 5.580 1.00 0.00 O ATOM 17 CB ARG A 2 -3.694 5.711 7.908 1.00 0.00 C ATOM 18 CG ARG A 2 -4.704 4.750 8.539 1.00 0.00 C ATOM 19 CD ARG A 2 -4.276 4.428 9.972 1.00 0.00 C ATOM 20 NE ARG A 2 -5.186 3.397 10.543 1.00 0.00 N ATOM 21 CZ ARG A 2 -4.803 2.681 11.565 1.00 0.00 C ATOM 22 NH1 ARG A 2 -3.621 2.868 12.085 1.00 0.00 N ATOM 23 NH2 ARG A 2 -5.600 1.777 12.065 1.00 0.00 N ATOM 0 H ARG A 2 -6.295 6.553 7.041 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.475 6.810 6.069 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.741 5.205 7.754 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.505 6.549 8.579 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.698 5.197 8.537 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.766 3.834 7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.248 4.067 9.983 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.303 5.331 10.582 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.109 3.250 10.135 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.997 3.573 11.693 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -3.321 2.309 12.884 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.523 1.629 11.657 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.300 1.218 12.864 1.00 0.00 H new ATOM 37 N ASP A 3 -3.677 4.388 5.078 1.00 0.00 N ATOM 38 CA ASP A 3 -4.007 3.221 4.213 1.00 0.00 C ATOM 39 C ASP A 3 -3.842 1.931 5.018 1.00 0.00 C ATOM 40 O ASP A 3 -2.982 1.828 5.873 1.00 0.00 O ATOM 41 CB ASP A 3 -3.073 3.194 3.007 1.00 0.00 C ATOM 42 CG ASP A 3 -3.276 4.460 2.172 1.00 0.00 C ATOM 43 OD1 ASP A 3 -4.286 5.117 2.364 1.00 0.00 O ATOM 44 OD2 ASP A 3 -2.419 4.751 1.354 1.00 0.00 O ATOM 0 H ASP A 3 -2.686 4.623 5.134 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.037 3.306 3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.037 3.127 3.338 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -3.271 2.310 2.400 1.00 0.00 H new ATOM 49 N ALA A 4 -4.664 0.947 4.761 1.00 0.00 N ATOM 50 CA ALA A 4 -4.565 -0.327 5.525 1.00 0.00 C ATOM 51 C ALA A 4 -3.883 -1.413 4.686 1.00 0.00 C ATOM 52 O ALA A 4 -2.713 -1.687 4.846 1.00 0.00 O ATOM 53 CB ALA A 4 -5.971 -0.795 5.908 1.00 0.00 C ATOM 0 H ALA A 4 -5.399 0.973 4.054 1.00 0.00 H new ATOM 0 HA ALA A 4 -3.968 -0.152 6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.904 -1.728 6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.452 -0.036 6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.560 -0.955 5.005 1.00 0.00 H new ATOM 59 N TYR A 5 -4.612 -2.056 3.815 1.00 0.00 N ATOM 60 CA TYR A 5 -4.005 -3.146 2.994 1.00 0.00 C ATOM 61 C TYR A 5 -3.645 -2.623 1.602 1.00 0.00 C ATOM 62 O TYR A 5 -2.914 -3.255 0.863 1.00 0.00 O ATOM 63 CB TYR A 5 -5.022 -4.277 2.847 1.00 0.00 C ATOM 64 CG TYR A 5 -5.709 -4.510 4.169 1.00 0.00 C ATOM 65 CD1 TYR A 5 -5.146 -5.379 5.111 1.00 0.00 C ATOM 66 CD2 TYR A 5 -6.913 -3.854 4.452 1.00 0.00 C ATOM 67 CE1 TYR A 5 -5.788 -5.593 6.337 1.00 0.00 C ATOM 68 CE2 TYR A 5 -7.555 -4.068 5.678 1.00 0.00 C ATOM 69 CZ TYR A 5 -6.993 -4.937 6.620 1.00 0.00 C ATOM 70 OH TYR A 5 -7.625 -5.148 7.829 1.00 0.00 O ATOM 0 H TYR A 5 -5.600 -1.875 3.635 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.101 -3.504 3.487 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.757 -4.023 2.083 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.523 -5.189 2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.217 -5.884 4.892 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.347 -3.183 3.725 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -5.354 -6.264 7.064 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.484 -3.562 5.897 1.00 0.00 H new ATOM 0 HH TYR A 5 -8.448 -4.617 7.865 1.00 0.00 H new ATOM 80 N ILE A 6 -4.164 -1.487 1.233 1.00 0.00 N ATOM 81 CA ILE A 6 -3.871 -0.937 -0.119 1.00 0.00 C ATOM 82 C ILE A 6 -2.718 0.064 -0.041 1.00 0.00 C ATOM 83 O ILE A 6 -2.586 0.796 0.915 1.00 0.00 O ATOM 84 CB ILE A 6 -5.121 -0.235 -0.649 1.00 0.00 C ATOM 85 CG1 ILE A 6 -6.292 -1.218 -0.654 1.00 0.00 C ATOM 86 CG2 ILE A 6 -4.866 0.253 -2.073 1.00 0.00 C ATOM 87 CD1 ILE A 6 -7.569 -0.485 -1.065 1.00 0.00 C ATOM 0 H ILE A 6 -4.780 -0.914 1.810 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.587 -1.750 -0.787 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.359 0.615 -0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.091 -2.037 -1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.415 -1.659 0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.757 0.754 -2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.029 0.952 -2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.629 -0.598 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.405 -1.185 -1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.772 0.318 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.442 -0.065 -2.063 1.00 0.00 H new ATOM 99 N ALA A 7 -1.881 0.097 -1.042 1.00 0.00 N ATOM 100 CA ALA A 7 -0.737 1.049 -1.027 1.00 0.00 C ATOM 101 C ALA A 7 -0.620 1.733 -2.392 1.00 0.00 C ATOM 102 O ALA A 7 0.424 2.240 -2.751 1.00 0.00 O ATOM 103 CB ALA A 7 0.554 0.289 -0.723 1.00 0.00 C ATOM 0 H ALA A 7 -1.941 -0.496 -1.870 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.904 1.804 -0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.392 0.986 -0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.471 -0.194 0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.721 -0.467 -1.490 1.00 0.00 H new ATOM 109 N LYS A 8 -1.682 1.748 -3.152 1.00 0.00 N ATOM 110 CA LYS A 8 -1.638 2.395 -4.493 1.00 0.00 C ATOM 111 C LYS A 8 -2.586 3.601 -4.503 1.00 0.00 C ATOM 112 O LYS A 8 -3.560 3.636 -3.776 1.00 0.00 O ATOM 113 CB LYS A 8 -2.081 1.382 -5.552 1.00 0.00 C ATOM 114 CG LYS A 8 -0.926 0.429 -5.865 1.00 0.00 C ATOM 115 CD LYS A 8 -0.328 0.781 -7.227 1.00 0.00 C ATOM 116 CE LYS A 8 0.769 -0.223 -7.578 1.00 0.00 C ATOM 117 NZ LYS A 8 1.978 0.053 -6.751 1.00 0.00 N ATOM 0 H LYS A 8 -2.581 1.338 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.624 2.730 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.943 0.819 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.393 1.901 -6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.162 0.501 -5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.281 -0.601 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.105 0.768 -7.991 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.082 1.791 -7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.417 -1.239 -7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.016 -0.153 -8.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.772 -0.526 -7.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.227 1.060 -6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.780 -0.183 -5.758 1.00 0.00 H new ATOM 131 N PRO A 9 -2.302 4.588 -5.316 1.00 0.00 N ATOM 132 CA PRO A 9 -3.143 5.819 -5.411 1.00 0.00 C ATOM 133 C PRO A 9 -4.578 5.525 -5.861 1.00 0.00 C ATOM 134 O PRO A 9 -5.510 6.196 -5.462 1.00 0.00 O ATOM 135 CB PRO A 9 -2.428 6.689 -6.452 1.00 0.00 C ATOM 136 CG PRO A 9 -1.512 5.772 -7.194 1.00 0.00 C ATOM 137 CD PRO A 9 -1.154 4.642 -6.232 1.00 0.00 C ATOM 0 HA PRO A 9 -3.242 6.299 -4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.144 7.157 -7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.871 7.493 -5.972 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.997 5.381 -8.088 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.617 6.300 -7.522 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.016 3.697 -6.758 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.226 4.849 -5.699 1.00 0.00 H new ATOM 145 N HIS A 10 -4.769 4.534 -6.689 1.00 0.00 N ATOM 146 CA HIS A 10 -6.148 4.217 -7.157 1.00 0.00 C ATOM 147 C HIS A 10 -6.267 2.719 -7.442 1.00 0.00 C ATOM 148 O HIS A 10 -7.223 2.268 -8.042 1.00 0.00 O ATOM 149 CB HIS A 10 -6.447 5.003 -8.434 1.00 0.00 C ATOM 150 CG HIS A 10 -6.351 6.477 -8.151 1.00 0.00 C ATOM 151 ND1 HIS A 10 -5.175 7.191 -8.332 1.00 0.00 N ATOM 152 CD2 HIS A 10 -7.277 7.387 -7.700 1.00 0.00 C ATOM 153 CE1 HIS A 10 -5.422 8.472 -7.995 1.00 0.00 C ATOM 154 NE2 HIS A 10 -6.686 8.641 -7.604 1.00 0.00 N ATOM 0 H HIS A 10 -4.033 3.933 -7.060 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.862 4.494 -6.382 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.742 4.726 -9.218 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.444 4.757 -8.800 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.305 7.162 -7.458 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.688 9.263 -8.036 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.126 9.509 -7.299 1.00 0.00 H new ATOM 163 N ASN A 11 -5.302 1.946 -7.024 1.00 0.00 N ATOM 164 CA ASN A 11 -5.355 0.478 -7.278 1.00 0.00 C ATOM 165 C ASN A 11 -5.072 -0.278 -5.980 1.00 0.00 C ATOM 166 O ASN A 11 -5.121 0.281 -4.902 1.00 0.00 O ATOM 167 CB ASN A 11 -4.304 0.105 -8.323 1.00 0.00 C ATOM 168 CG ASN A 11 -4.486 0.981 -9.564 1.00 0.00 C ATOM 169 OD1 ASN A 11 -5.439 0.821 -10.300 1.00 0.00 O ATOM 170 ND2 ASN A 11 -3.608 1.909 -9.827 1.00 0.00 N ATOM 0 H ASN A 11 -4.478 2.268 -6.517 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.346 0.210 -7.644 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -3.303 0.241 -7.913 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -4.399 -0.947 -8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.722 2.500 -10.650 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.808 2.044 -9.209 1.00 0.00 H new ATOM 177 N CYS A 12 -4.777 -1.545 -6.077 1.00 0.00 N ATOM 178 CA CYS A 12 -4.488 -2.353 -4.858 1.00 0.00 C ATOM 179 C CYS A 12 -3.079 -2.942 -4.962 1.00 0.00 C ATOM 180 O CYS A 12 -2.365 -2.698 -5.914 1.00 0.00 O ATOM 181 CB CYS A 12 -5.506 -3.488 -4.750 1.00 0.00 C ATOM 182 SG CYS A 12 -7.175 -2.795 -4.654 1.00 0.00 S ATOM 0 H CYS A 12 -4.723 -2.060 -6.956 1.00 0.00 H new ATOM 0 HA CYS A 12 -4.554 -1.718 -3.974 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.424 -4.148 -5.614 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.300 -4.092 -3.867 1.00 0.00 H new ATOM 187 N VAL A 13 -2.673 -3.714 -3.991 1.00 0.00 N ATOM 188 CA VAL A 13 -1.309 -4.315 -4.043 1.00 0.00 C ATOM 189 C VAL A 13 -1.411 -5.755 -4.548 1.00 0.00 C ATOM 190 O VAL A 13 -2.225 -6.530 -4.086 1.00 0.00 O ATOM 191 CB VAL A 13 -0.694 -4.308 -2.643 1.00 0.00 C ATOM 192 CG1 VAL A 13 0.739 -4.840 -2.713 1.00 0.00 C ATOM 193 CG2 VAL A 13 -0.679 -2.878 -2.099 1.00 0.00 C ATOM 0 H VAL A 13 -3.224 -3.954 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.679 -3.734 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.286 -4.942 -1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.178 -4.835 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.730 -5.859 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.331 -4.206 -3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.241 -2.873 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.087 -2.244 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.699 -2.497 -2.049 1.00 0.00 H new ATOM 203 N TYR A 14 -0.591 -6.118 -5.496 1.00 0.00 N ATOM 204 CA TYR A 14 -0.641 -7.507 -6.034 1.00 0.00 C ATOM 205 C TYR A 14 -0.210 -8.492 -4.947 1.00 0.00 C ATOM 206 O TYR A 14 -0.748 -9.575 -4.828 1.00 0.00 O ATOM 207 CB TYR A 14 0.294 -7.621 -7.239 1.00 0.00 C ATOM 208 CG TYR A 14 1.731 -7.604 -6.773 1.00 0.00 C ATOM 209 CD1 TYR A 14 2.376 -6.383 -6.540 1.00 0.00 C ATOM 210 CD2 TYR A 14 2.417 -8.807 -6.576 1.00 0.00 C ATOM 211 CE1 TYR A 14 3.707 -6.365 -6.110 1.00 0.00 C ATOM 212 CE2 TYR A 14 3.750 -8.789 -6.146 1.00 0.00 C ATOM 213 CZ TYR A 14 4.395 -7.569 -5.913 1.00 0.00 C ATOM 214 OH TYR A 14 5.707 -7.552 -5.490 1.00 0.00 O ATOM 0 H TYR A 14 0.111 -5.513 -5.921 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.659 -7.741 -6.346 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.089 -8.542 -7.784 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.116 -6.796 -7.929 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.845 -5.455 -6.692 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.919 -9.749 -6.755 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.204 -5.423 -5.930 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.280 -9.717 -5.994 1.00 0.00 H new ATOM 0 HH TYR A 14 6.062 -6.641 -5.560 1.00 0.00 H new ATOM 224 N GLU A 15 0.753 -8.122 -4.148 1.00 0.00 N ATOM 225 CA GLU A 15 1.214 -9.033 -3.063 1.00 0.00 C ATOM 226 C GLU A 15 2.244 -8.309 -2.201 1.00 0.00 C ATOM 227 O GLU A 15 3.406 -8.226 -2.548 1.00 0.00 O ATOM 228 CB GLU A 15 1.864 -10.277 -3.672 1.00 0.00 C ATOM 229 CG GLU A 15 2.117 -11.311 -2.573 1.00 0.00 C ATOM 230 CD GLU A 15 2.852 -12.516 -3.165 1.00 0.00 C ATOM 231 OE1 GLU A 15 3.133 -12.488 -4.351 1.00 0.00 O ATOM 232 OE2 GLU A 15 3.121 -13.444 -2.421 1.00 0.00 O ATOM 0 H GLU A 15 1.241 -7.228 -4.200 1.00 0.00 H new ATOM 0 HA GLU A 15 0.359 -9.328 -2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.217 -10.699 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.803 -10.009 -4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.709 -10.868 -1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.172 -11.628 -2.133 1.00 0.00 H new ATOM 239 N CYS A 16 1.839 -7.791 -1.077 1.00 0.00 N ATOM 240 CA CYS A 16 2.814 -7.087 -0.204 1.00 0.00 C ATOM 241 C CYS A 16 3.681 -8.129 0.503 1.00 0.00 C ATOM 242 O CYS A 16 3.183 -9.031 1.146 1.00 0.00 O ATOM 243 CB CYS A 16 2.070 -6.247 0.835 1.00 0.00 C ATOM 244 SG CYS A 16 2.487 -6.834 2.491 1.00 0.00 S ATOM 0 H CYS A 16 0.881 -7.824 -0.727 1.00 0.00 H new ATOM 0 HA CYS A 16 3.439 -6.428 -0.807 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.341 -5.196 0.731 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.994 -6.317 0.673 1.00 0.00 H new ATOM 249 N PHE A 17 4.971 -8.017 0.382 1.00 0.00 N ATOM 250 CA PHE A 17 5.870 -9.004 1.040 1.00 0.00 C ATOM 251 C PHE A 17 6.241 -8.517 2.441 1.00 0.00 C ATOM 252 O PHE A 17 6.456 -7.343 2.668 1.00 0.00 O ATOM 253 CB PHE A 17 7.135 -9.178 0.201 1.00 0.00 C ATOM 254 CG PHE A 17 8.223 -9.766 1.065 1.00 0.00 C ATOM 255 CD1 PHE A 17 8.259 -11.143 1.307 1.00 0.00 C ATOM 256 CD2 PHE A 17 9.191 -8.929 1.630 1.00 0.00 C ATOM 257 CE1 PHE A 17 9.263 -11.685 2.118 1.00 0.00 C ATOM 258 CE2 PHE A 17 10.197 -9.469 2.439 1.00 0.00 C ATOM 259 CZ PHE A 17 10.233 -10.847 2.683 1.00 0.00 C ATOM 0 H PHE A 17 5.444 -7.283 -0.145 1.00 0.00 H new ATOM 0 HA PHE A 17 5.355 -9.961 1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.936 -9.831 -0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.454 -8.217 -0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.512 -11.788 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.162 -7.866 1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.290 -12.748 2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.945 -8.823 2.875 1.00 0.00 H new ATOM 0 HZ PHE A 17 11.009 -11.264 3.307 1.00 0.00 H new ATOM 269 N ASP A 18 6.307 -9.416 3.386 1.00 0.00 N ATOM 270 CA ASP A 18 6.652 -9.014 4.779 1.00 0.00 C ATOM 271 C ASP A 18 8.161 -8.797 4.899 1.00 0.00 C ATOM 272 O ASP A 18 8.951 -9.688 4.661 1.00 0.00 O ATOM 273 CB ASP A 18 6.218 -10.115 5.748 1.00 0.00 C ATOM 274 CG ASP A 18 6.443 -9.645 7.187 1.00 0.00 C ATOM 275 OD1 ASP A 18 6.803 -8.493 7.363 1.00 0.00 O ATOM 276 OD2 ASP A 18 6.251 -10.446 8.087 1.00 0.00 O ATOM 0 H ASP A 18 6.137 -10.413 3.253 1.00 0.00 H new ATOM 0 HA ASP A 18 6.136 -8.086 5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.167 -10.357 5.593 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.786 -11.026 5.558 1.00 0.00 H new ATOM 281 N ALA A 19 8.562 -7.614 5.277 1.00 0.00 N ATOM 282 CA ALA A 19 10.016 -7.325 5.425 1.00 0.00 C ATOM 283 C ALA A 19 10.224 -6.446 6.658 1.00 0.00 C ATOM 284 O ALA A 19 9.313 -5.790 7.124 1.00 0.00 O ATOM 285 CB ALA A 19 10.522 -6.590 4.183 1.00 0.00 C ATOM 0 H ALA A 19 7.942 -6.832 5.490 1.00 0.00 H new ATOM 0 HA ALA A 19 10.567 -8.258 5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.586 -6.379 4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.365 -7.213 3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.977 -5.653 4.067 1.00 0.00 H new ATOM 291 N PHE A 20 11.412 -6.426 7.196 1.00 0.00 N ATOM 292 CA PHE A 20 11.663 -5.587 8.401 1.00 0.00 C ATOM 293 C PHE A 20 11.226 -4.149 8.113 1.00 0.00 C ATOM 294 O PHE A 20 10.598 -3.505 8.930 1.00 0.00 O ATOM 295 CB PHE A 20 13.155 -5.616 8.740 1.00 0.00 C ATOM 296 CG PHE A 20 13.391 -4.888 10.043 1.00 0.00 C ATOM 297 CD1 PHE A 20 13.148 -5.534 11.260 1.00 0.00 C ATOM 298 CD2 PHE A 20 13.857 -3.567 10.032 1.00 0.00 C ATOM 299 CE1 PHE A 20 13.370 -4.861 12.468 1.00 0.00 C ATOM 300 CE2 PHE A 20 14.079 -2.894 11.239 1.00 0.00 C ATOM 301 CZ PHE A 20 13.836 -3.540 12.457 1.00 0.00 C ATOM 0 H PHE A 20 12.217 -6.952 6.855 1.00 0.00 H new ATOM 0 HA PHE A 20 11.095 -5.977 9.246 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.501 -6.647 8.819 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.729 -5.148 7.941 1.00 0.00 H new ATOM 0 HD1 PHE A 20 12.789 -6.553 11.268 1.00 0.00 H new ATOM 0 HD2 PHE A 20 14.045 -3.068 9.093 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.182 -5.360 13.407 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.438 -1.875 11.231 1.00 0.00 H new ATOM 0 HZ PHE A 20 14.008 -3.020 13.388 1.00 0.00 H new ATOM 311 N SER A 21 11.550 -3.641 6.955 1.00 0.00 N ATOM 312 CA SER A 21 11.150 -2.249 6.613 1.00 0.00 C ATOM 313 C SER A 21 11.876 -1.809 5.340 1.00 0.00 C ATOM 314 O SER A 21 12.852 -1.088 5.390 1.00 0.00 O ATOM 315 CB SER A 21 11.535 -1.323 7.763 1.00 0.00 C ATOM 316 OG SER A 21 10.395 -1.086 8.580 1.00 0.00 O ATOM 0 H SER A 21 12.075 -4.132 6.231 1.00 0.00 H new ATOM 0 HA SER A 21 10.073 -2.205 6.449 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.333 -1.772 8.354 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.919 -0.380 7.373 1.00 0.00 H new ATOM 0 HG SER A 21 9.739 -0.557 8.080 1.00 0.00 H new ATOM 322 N SER A 22 11.412 -2.237 4.195 1.00 0.00 N ATOM 323 CA SER A 22 12.089 -1.836 2.932 1.00 0.00 C ATOM 324 C SER A 22 11.108 -1.919 1.758 1.00 0.00 C ATOM 325 O SER A 22 10.752 -0.920 1.165 1.00 0.00 O ATOM 326 CB SER A 22 13.270 -2.770 2.672 1.00 0.00 C ATOM 327 OG SER A 22 13.603 -2.733 1.290 1.00 0.00 O ATOM 0 H SER A 22 10.599 -2.843 4.082 1.00 0.00 H new ATOM 0 HA SER A 22 12.443 -0.810 3.028 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.127 -2.467 3.273 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.016 -3.787 2.970 1.00 0.00 H new ATOM 0 HG SER A 22 14.361 -3.330 1.120 1.00 0.00 H new ATOM 333 N TYR A 23 10.680 -3.102 1.408 1.00 0.00 N ATOM 334 CA TYR A 23 9.737 -3.239 0.261 1.00 0.00 C ATOM 335 C TYR A 23 8.447 -2.466 0.540 1.00 0.00 C ATOM 336 O TYR A 23 8.059 -1.593 -0.212 1.00 0.00 O ATOM 337 CB TYR A 23 9.401 -4.716 0.056 1.00 0.00 C ATOM 338 CG TYR A 23 8.489 -4.862 -1.136 1.00 0.00 C ATOM 339 CD1 TYR A 23 9.030 -5.009 -2.420 1.00 0.00 C ATOM 340 CD2 TYR A 23 7.101 -4.848 -0.959 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.182 -5.143 -3.525 1.00 0.00 C ATOM 342 CE2 TYR A 23 6.253 -4.982 -2.064 1.00 0.00 C ATOM 343 CZ TYR A 23 6.792 -5.130 -3.347 1.00 0.00 C ATOM 344 OH TYR A 23 5.957 -5.262 -4.437 1.00 0.00 O ATOM 0 H TYR A 23 10.941 -3.976 1.864 1.00 0.00 H new ATOM 0 HA TYR A 23 10.209 -2.835 -0.635 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.315 -5.290 -0.099 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.919 -5.118 0.947 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.101 -5.019 -2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.684 -4.734 0.031 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.599 -5.256 -4.515 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.182 -4.971 -1.927 1.00 0.00 H new ATOM 0 HH TYR A 23 5.325 -5.994 -4.278 1.00 0.00 H new ATOM 354 N CYS A 24 7.779 -2.774 1.615 1.00 0.00 N ATOM 355 CA CYS A 24 6.517 -2.049 1.930 1.00 0.00 C ATOM 356 C CYS A 24 6.852 -0.604 2.288 1.00 0.00 C ATOM 357 O CYS A 24 6.256 0.328 1.787 1.00 0.00 O ATOM 358 CB CYS A 24 5.811 -2.724 3.107 1.00 0.00 C ATOM 359 SG CYS A 24 4.078 -2.196 3.152 1.00 0.00 S ATOM 0 H CYS A 24 8.050 -3.492 2.286 1.00 0.00 H new ATOM 0 HA CYS A 24 5.855 -2.070 1.064 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.870 -3.808 3.008 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.307 -2.462 4.042 1.00 0.00 H new ATOM 364 N ASN A 25 7.811 -0.413 3.150 1.00 0.00 N ATOM 365 CA ASN A 25 8.194 0.971 3.538 1.00 0.00 C ATOM 366 C ASN A 25 8.626 1.732 2.285 1.00 0.00 C ATOM 367 O ASN A 25 8.354 2.907 2.135 1.00 0.00 O ATOM 368 CB ASN A 25 9.355 0.918 4.532 1.00 0.00 C ATOM 369 CG ASN A 25 8.920 0.150 5.780 1.00 0.00 C ATOM 370 OD1 ASN A 25 9.626 0.123 6.768 1.00 0.00 O ATOM 371 ND2 ASN A 25 7.782 -0.489 5.773 1.00 0.00 N ATOM 0 H ASN A 25 8.345 -1.155 3.602 1.00 0.00 H new ATOM 0 HA ASN A 25 7.347 1.475 4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.218 0.433 4.075 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.663 1.928 4.802 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.485 -1.011 6.597 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.189 -0.466 4.943 1.00 0.00 H new ATOM 378 N GLY A 26 9.293 1.067 1.383 1.00 0.00 N ATOM 379 CA GLY A 26 9.739 1.746 0.135 1.00 0.00 C ATOM 380 C GLY A 26 8.517 2.262 -0.622 1.00 0.00 C ATOM 381 O GLY A 26 8.516 3.357 -1.148 1.00 0.00 O ATOM 0 H GLY A 26 9.548 0.082 1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.408 2.572 0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.302 1.052 -0.489 1.00 0.00 H new ATOM 385 N VAL A 27 7.470 1.482 -0.679 1.00 0.00 N ATOM 386 CA VAL A 27 6.248 1.936 -1.402 1.00 0.00 C ATOM 387 C VAL A 27 5.700 3.191 -0.721 1.00 0.00 C ATOM 388 O VAL A 27 5.349 4.158 -1.367 1.00 0.00 O ATOM 389 CB VAL A 27 5.193 0.830 -1.365 1.00 0.00 C ATOM 390 CG1 VAL A 27 3.876 1.359 -1.935 1.00 0.00 C ATOM 391 CG2 VAL A 27 5.671 -0.357 -2.204 1.00 0.00 C ATOM 0 H VAL A 27 7.409 0.555 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 27 6.496 2.161 -2.439 1.00 0.00 H new ATOM 0 HB VAL A 27 5.039 0.510 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.125 0.570 -1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.535 2.205 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.028 1.680 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.920 -1.146 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.825 -0.036 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.609 -0.735 -1.798 1.00 0.00 H new ATOM 401 N CYS A 28 5.634 3.183 0.581 1.00 0.00 N ATOM 402 CA CYS A 28 5.121 4.377 1.308 1.00 0.00 C ATOM 403 C CYS A 28 6.107 5.535 1.149 1.00 0.00 C ATOM 404 O CYS A 28 5.728 6.689 1.127 1.00 0.00 O ATOM 405 CB CYS A 28 4.957 4.042 2.793 1.00 0.00 C ATOM 406 SG CYS A 28 3.412 3.130 3.040 1.00 0.00 S ATOM 0 H CYS A 28 5.913 2.401 1.173 1.00 0.00 H new ATOM 0 HA CYS A 28 4.155 4.665 0.894 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.802 3.446 3.138 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.950 4.957 3.385 1.00 0.00 H new ATOM 411 N THR A 29 7.372 5.235 1.040 1.00 0.00 N ATOM 412 CA THR A 29 8.383 6.318 0.885 1.00 0.00 C ATOM 413 C THR A 29 8.041 7.168 -0.338 1.00 0.00 C ATOM 414 O THR A 29 8.017 8.381 -0.280 1.00 0.00 O ATOM 415 CB THR A 29 9.765 5.691 0.689 1.00 0.00 C ATOM 416 OG1 THR A 29 10.031 4.795 1.759 1.00 0.00 O ATOM 417 CG2 THR A 29 10.828 6.790 0.664 1.00 0.00 C ATOM 0 H THR A 29 7.749 4.287 1.052 1.00 0.00 H new ATOM 0 HA THR A 29 8.382 6.946 1.776 1.00 0.00 H new ATOM 0 HB THR A 29 9.788 5.147 -0.255 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.558 3.951 1.604 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.812 6.342 0.524 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.622 7.477 -0.157 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.809 7.336 1.607 1.00 0.00 H new ATOM 425 N LYS A 30 7.775 6.536 -1.445 1.00 0.00 N ATOM 426 CA LYS A 30 7.429 7.295 -2.677 1.00 0.00 C ATOM 427 C LYS A 30 6.108 8.035 -2.466 1.00 0.00 C ATOM 428 O LYS A 30 5.945 9.168 -2.869 1.00 0.00 O ATOM 429 CB LYS A 30 7.299 6.313 -3.841 1.00 0.00 C ATOM 430 CG LYS A 30 8.682 5.753 -4.178 1.00 0.00 C ATOM 431 CD LYS A 30 8.589 4.240 -4.379 1.00 0.00 C ATOM 432 CE LYS A 30 9.800 3.753 -5.176 1.00 0.00 C ATOM 433 NZ LYS A 30 10.000 2.296 -4.937 1.00 0.00 N ATOM 0 H LYS A 30 7.782 5.521 -1.550 1.00 0.00 H new ATOM 0 HA LYS A 30 8.209 8.023 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.619 5.503 -3.576 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.874 6.814 -4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.067 6.227 -5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.383 5.981 -3.375 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.550 3.736 -3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.669 3.989 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.648 3.940 -6.239 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.691 4.307 -4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.824 1.965 -5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.163 2.130 -3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.153 1.775 -5.241 1.00 0.00 H new ATOM 447 N ASN A 31 5.166 7.399 -1.828 1.00 0.00 N ATOM 448 CA ASN A 31 3.854 8.056 -1.577 1.00 0.00 C ATOM 449 C ASN A 31 4.071 9.311 -0.730 1.00 0.00 C ATOM 450 O ASN A 31 3.333 10.270 -0.820 1.00 0.00 O ATOM 451 CB ASN A 31 2.933 7.088 -0.832 1.00 0.00 C ATOM 452 CG ASN A 31 2.631 5.882 -1.723 1.00 0.00 C ATOM 453 OD1 ASN A 31 2.805 5.940 -2.924 1.00 0.00 O ATOM 454 ND2 ASN A 31 2.184 4.782 -1.182 1.00 0.00 N ATOM 0 H ASN A 31 5.249 6.448 -1.468 1.00 0.00 H new ATOM 0 HA ASN A 31 3.395 8.332 -2.527 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.405 6.760 0.094 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.006 7.591 -0.556 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.981 3.972 -1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.038 4.732 -0.174 1.00 0.00 H new ATOM 461 N GLY A 32 5.077 9.302 0.101 1.00 0.00 N ATOM 462 CA GLY A 32 5.342 10.485 0.967 1.00 0.00 C ATOM 463 C GLY A 32 4.787 10.215 2.364 1.00 0.00 C ATOM 464 O GLY A 32 4.885 11.034 3.255 1.00 0.00 O ATOM 0 H GLY A 32 5.728 8.525 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.413 10.681 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.876 11.374 0.542 1.00 0.00 H new ATOM 468 N ALA A 33 4.207 9.063 2.560 1.00 0.00 N ATOM 469 CA ALA A 33 3.645 8.723 3.896 1.00 0.00 C ATOM 470 C ALA A 33 4.780 8.632 4.917 1.00 0.00 C ATOM 471 O ALA A 33 5.899 8.293 4.585 1.00 0.00 O ATOM 472 CB ALA A 33 2.921 7.379 3.818 1.00 0.00 C ATOM 0 H ALA A 33 4.098 8.340 1.849 1.00 0.00 H new ATOM 0 HA ALA A 33 2.941 9.497 4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.510 7.130 4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.112 7.443 3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.624 6.604 3.512 1.00 0.00 H new ATOM 478 N LYS A 34 4.506 8.937 6.155 1.00 0.00 N ATOM 479 CA LYS A 34 5.576 8.871 7.189 1.00 0.00 C ATOM 480 C LYS A 34 6.169 7.462 7.237 1.00 0.00 C ATOM 481 O LYS A 34 7.350 7.269 7.021 1.00 0.00 O ATOM 482 CB LYS A 34 4.977 9.196 8.558 1.00 0.00 C ATOM 483 CG LYS A 34 6.099 9.302 9.597 1.00 0.00 C ATOM 484 CD LYS A 34 5.629 8.692 10.919 1.00 0.00 C ATOM 485 CE LYS A 34 4.478 9.525 11.486 1.00 0.00 C ATOM 486 NZ LYS A 34 4.885 10.106 12.797 1.00 0.00 N ATOM 0 H LYS A 34 3.589 9.228 6.495 1.00 0.00 H new ATOM 0 HA LYS A 34 6.357 9.589 6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.422 10.133 8.510 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.269 8.420 8.850 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.989 8.783 9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.376 10.346 9.744 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.304 7.663 10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.454 8.661 11.631 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.213 10.321 10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.592 8.903 11.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.103 10.673 13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.117 9.339 13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.719 10.713 12.664 1.00 0.00 H new ATOM 500 N SER A 35 5.366 6.474 7.527 1.00 0.00 N ATOM 501 CA SER A 35 5.900 5.086 7.597 1.00 0.00 C ATOM 502 C SER A 35 4.855 4.092 7.088 1.00 0.00 C ATOM 503 O SER A 35 3.679 4.390 7.017 1.00 0.00 O ATOM 504 CB SER A 35 6.256 4.751 9.045 1.00 0.00 C ATOM 505 OG SER A 35 5.062 4.653 9.811 1.00 0.00 O ATOM 0 H SER A 35 4.368 6.568 7.717 1.00 0.00 H new ATOM 0 HA SER A 35 6.790 5.016 6.972 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.808 3.812 9.088 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.906 5.522 9.460 1.00 0.00 H new ATOM 0 HG SER A 35 5.164 3.952 10.488 1.00 0.00 H new ATOM 511 N GLY A 36 5.279 2.908 6.743 1.00 0.00 N ATOM 512 CA GLY A 36 4.317 1.883 6.250 1.00 0.00 C ATOM 513 C GLY A 36 4.746 0.495 6.738 1.00 0.00 C ATOM 514 O GLY A 36 5.907 0.252 7.002 1.00 0.00 O ATOM 0 H GLY A 36 6.252 2.605 6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.313 2.111 6.608 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.279 1.900 5.161 1.00 0.00 H new ATOM 518 N TYR A 37 3.821 -0.420 6.852 1.00 0.00 N ATOM 519 CA TYR A 37 4.179 -1.794 7.314 1.00 0.00 C ATOM 520 C TYR A 37 3.393 -2.825 6.503 1.00 0.00 C ATOM 521 O TYR A 37 2.341 -2.535 5.977 1.00 0.00 O ATOM 522 CB TYR A 37 3.814 -1.956 8.792 1.00 0.00 C ATOM 523 CG TYR A 37 4.351 -0.794 9.589 1.00 0.00 C ATOM 524 CD1 TYR A 37 5.715 -0.483 9.550 1.00 0.00 C ATOM 525 CD2 TYR A 37 3.480 -0.028 10.372 1.00 0.00 C ATOM 526 CE1 TYR A 37 6.210 0.594 10.295 1.00 0.00 C ATOM 527 CE2 TYR A 37 3.975 1.049 11.118 1.00 0.00 C ATOM 528 CZ TYR A 37 5.339 1.360 11.080 1.00 0.00 C ATOM 529 OH TYR A 37 5.826 2.422 11.814 1.00 0.00 O ATOM 0 H TYR A 37 2.833 -0.276 6.645 1.00 0.00 H new ATOM 0 HA TYR A 37 5.250 -1.945 7.178 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.731 -2.014 8.903 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.224 -2.890 9.175 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.386 -1.074 8.945 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.427 -0.267 10.401 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.263 0.834 10.264 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.304 1.640 11.723 1.00 0.00 H new ATOM 0 HH TYR A 37 5.090 2.848 12.301 1.00 0.00 H new ATOM 539 N CYS A 38 3.881 -4.031 6.412 1.00 0.00 N ATOM 540 CA CYS A 38 3.138 -5.072 5.655 1.00 0.00 C ATOM 541 C CYS A 38 2.361 -5.946 6.635 1.00 0.00 C ATOM 542 O CYS A 38 2.914 -6.508 7.559 1.00 0.00 O ATOM 543 CB CYS A 38 4.111 -5.939 4.860 1.00 0.00 C ATOM 544 SG CYS A 38 3.941 -5.574 3.100 1.00 0.00 S ATOM 0 H CYS A 38 4.760 -4.338 6.828 1.00 0.00 H new ATOM 0 HA CYS A 38 2.449 -4.589 4.963 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.134 -5.748 5.185 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.909 -6.994 5.045 1.00 0.00 H new ATOM 549 N GLN A 39 1.079 -6.054 6.435 1.00 0.00 N ATOM 550 CA GLN A 39 0.238 -6.880 7.344 1.00 0.00 C ATOM 551 C GLN A 39 -0.357 -8.044 6.551 1.00 0.00 C ATOM 552 O GLN A 39 -0.121 -8.182 5.366 1.00 0.00 O ATOM 553 CB GLN A 39 -0.873 -6.005 7.928 1.00 0.00 C ATOM 554 CG GLN A 39 -0.236 -4.880 8.750 1.00 0.00 C ATOM 555 CD GLN A 39 -1.324 -4.030 9.407 1.00 0.00 C ATOM 556 OE1 GLN A 39 -2.576 -4.270 9.138 1.00 0.00 O flip ATOM 557 NE2 GLN A 39 -1.029 -3.133 10.172 1.00 0.00 N flip ATOM 0 H GLN A 39 0.573 -5.601 5.674 1.00 0.00 H new ATOM 0 HA GLN A 39 0.839 -7.279 8.161 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.485 -5.588 7.128 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.534 -6.603 8.556 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.418 -5.302 9.513 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.385 -4.256 8.107 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.049 -2.944 10.383 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.761 -2.569 10.603 1.00 0.00 H new ATOM 566 N ILE A 40 -1.112 -8.892 7.189 1.00 0.00 N ATOM 567 CA ILE A 40 -1.695 -10.051 6.457 1.00 0.00 C ATOM 568 C ILE A 40 -3.091 -9.699 5.946 1.00 0.00 C ATOM 569 O ILE A 40 -3.849 -9.003 6.594 1.00 0.00 O ATOM 570 CB ILE A 40 -1.773 -11.258 7.399 1.00 0.00 C ATOM 571 CG1 ILE A 40 -2.762 -10.974 8.534 1.00 0.00 C ATOM 572 CG2 ILE A 40 -0.390 -11.532 7.992 1.00 0.00 C ATOM 573 CD1 ILE A 40 -2.848 -12.194 9.452 1.00 0.00 C ATOM 0 H ILE A 40 -1.350 -8.835 8.179 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.061 -10.295 5.604 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.112 -12.127 6.836 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.440 -10.101 9.101 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.746 -10.743 8.125 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.445 -12.390 8.662 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.315 -11.744 7.188 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.053 -10.658 8.549 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.552 -11.993 10.260 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.190 -13.057 8.880 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.864 -12.404 9.872 1.00 0.00 H new ATOM 585 N LEU A 41 -3.433 -10.177 4.781 1.00 0.00 N ATOM 586 CA LEU A 41 -4.773 -9.881 4.210 1.00 0.00 C ATOM 587 C LEU A 41 -5.752 -10.978 4.629 1.00 0.00 C ATOM 588 O LEU A 41 -5.396 -12.138 4.704 1.00 0.00 O ATOM 589 CB LEU A 41 -4.679 -9.837 2.682 1.00 0.00 C ATOM 590 CG LEU A 41 -6.019 -9.381 2.099 1.00 0.00 C ATOM 591 CD1 LEU A 41 -6.274 -7.917 2.470 1.00 0.00 C ATOM 592 CD2 LEU A 41 -5.985 -9.520 0.576 1.00 0.00 C ATOM 0 H LEU A 41 -2.836 -10.764 4.198 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.123 -8.917 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.886 -9.154 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.419 -10.822 2.295 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.818 -10.001 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.229 -7.597 2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.300 -7.816 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.475 -7.295 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.939 -9.196 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.184 -8.902 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.809 -10.562 0.310 1.00 0.00 H new ATOM 604 N GLY A 42 -6.979 -10.627 4.907 1.00 0.00 N ATOM 605 CA GLY A 42 -7.966 -11.663 5.324 1.00 0.00 C ATOM 606 C GLY A 42 -7.813 -12.885 4.417 1.00 0.00 C ATOM 607 O GLY A 42 -8.018 -14.009 4.830 1.00 0.00 O ATOM 0 H GLY A 42 -7.338 -9.673 4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.802 -11.943 6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.979 -11.267 5.256 1.00 0.00 H new ATOM 611 N THR A 43 -7.440 -12.671 3.187 1.00 0.00 N ATOM 612 CA THR A 43 -7.254 -13.814 2.252 1.00 0.00 C ATOM 613 C THR A 43 -5.825 -14.342 2.394 1.00 0.00 C ATOM 614 O THR A 43 -4.980 -13.714 3.001 1.00 0.00 O ATOM 615 CB THR A 43 -7.487 -13.344 0.814 1.00 0.00 C ATOM 616 OG1 THR A 43 -6.391 -12.543 0.397 1.00 0.00 O ATOM 617 CG2 THR A 43 -8.777 -12.526 0.743 1.00 0.00 C ATOM 0 H THR A 43 -7.255 -11.751 2.788 1.00 0.00 H new ATOM 0 HA THR A 43 -7.966 -14.605 2.489 1.00 0.00 H new ATOM 0 HB THR A 43 -7.575 -14.210 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.506 -12.295 -0.544 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.940 -12.193 -0.282 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.617 -13.143 1.062 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.694 -11.659 1.398 1.00 0.00 H new ATOM 625 N TYR A 44 -5.546 -15.491 1.844 1.00 0.00 N ATOM 626 CA TYR A 44 -4.169 -16.050 1.955 1.00 0.00 C ATOM 627 C TYR A 44 -3.157 -15.020 1.446 1.00 0.00 C ATOM 628 O TYR A 44 -1.963 -15.179 1.602 1.00 0.00 O ATOM 629 CB TYR A 44 -4.067 -17.326 1.115 1.00 0.00 C ATOM 630 CG TYR A 44 -3.977 -16.962 -0.348 1.00 0.00 C ATOM 631 CD1 TYR A 44 -5.145 -16.729 -1.084 1.00 0.00 C ATOM 632 CD2 TYR A 44 -2.726 -16.857 -0.968 1.00 0.00 C ATOM 633 CE1 TYR A 44 -5.061 -16.392 -2.441 1.00 0.00 C ATOM 634 CE2 TYR A 44 -2.642 -16.521 -2.324 1.00 0.00 C ATOM 635 CZ TYR A 44 -3.810 -16.289 -3.061 1.00 0.00 C ATOM 636 OH TYR A 44 -3.727 -15.957 -4.398 1.00 0.00 O ATOM 0 H TYR A 44 -6.209 -16.066 1.324 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.955 -16.284 2.998 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.189 -17.900 1.412 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.937 -17.959 1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.110 -16.809 -0.606 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.825 -17.035 -0.399 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.962 -16.212 -3.009 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.677 -16.441 -2.802 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.786 -15.927 -4.670 1.00 0.00 H new ATOM 646 N GLY A 45 -3.627 -13.966 0.835 1.00 0.00 N ATOM 647 CA GLY A 45 -2.693 -12.927 0.312 1.00 0.00 C ATOM 648 C GLY A 45 -2.291 -11.970 1.438 1.00 0.00 C ATOM 649 O GLY A 45 -2.616 -12.176 2.590 1.00 0.00 O ATOM 0 H GLY A 45 -4.617 -13.779 0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.806 -13.402 -0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.169 -12.372 -0.496 1.00 0.00 H new ATOM 653 N ASN A 46 -1.583 -10.925 1.106 1.00 0.00 N ATOM 654 CA ASN A 46 -1.148 -9.945 2.137 1.00 0.00 C ATOM 655 C ASN A 46 -1.342 -8.527 1.594 1.00 0.00 C ATOM 656 O ASN A 46 -1.638 -8.336 0.432 1.00 0.00 O ATOM 657 CB ASN A 46 0.329 -10.172 2.455 1.00 0.00 C ATOM 658 CG ASN A 46 0.459 -11.028 3.716 1.00 0.00 C ATOM 659 OD1 ASN A 46 -0.413 -11.817 4.021 1.00 0.00 O ATOM 660 ND2 ASN A 46 1.518 -10.903 4.468 1.00 0.00 N ATOM 0 H ASN A 46 -1.285 -10.708 0.155 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.739 -10.073 3.044 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.820 -10.666 1.616 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.831 -9.215 2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.614 -11.468 5.312 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.250 -10.241 4.212 1.00 0.00 H new ATOM 667 N GLY A 47 -1.179 -7.530 2.422 1.00 0.00 N ATOM 668 CA GLY A 47 -1.357 -6.131 1.938 1.00 0.00 C ATOM 669 C GLY A 47 -0.293 -5.223 2.557 1.00 0.00 C ATOM 670 O GLY A 47 0.385 -5.591 3.495 1.00 0.00 O ATOM 0 H GLY A 47 -0.932 -7.623 3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.284 -6.102 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.352 -5.771 2.200 1.00 0.00 H new ATOM 674 N CYS A 48 -0.151 -4.031 2.040 1.00 0.00 N ATOM 675 CA CYS A 48 0.857 -3.088 2.595 1.00 0.00 C ATOM 676 C CYS A 48 0.151 -2.070 3.491 1.00 0.00 C ATOM 677 O CYS A 48 -1.009 -1.761 3.296 1.00 0.00 O ATOM 678 CB CYS A 48 1.569 -2.359 1.455 1.00 0.00 C ATOM 679 SG CYS A 48 3.308 -2.864 1.405 1.00 0.00 S ATOM 0 H CYS A 48 -0.693 -3.671 1.254 1.00 0.00 H new ATOM 0 HA CYS A 48 1.593 -3.644 3.177 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.086 -2.588 0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.497 -1.281 1.598 1.00 0.00 H new ATOM 684 N TRP A 49 0.838 -1.552 4.471 1.00 0.00 N ATOM 685 CA TRP A 49 0.213 -0.559 5.387 1.00 0.00 C ATOM 686 C TRP A 49 0.922 0.787 5.234 1.00 0.00 C ATOM 687 O TRP A 49 2.133 0.850 5.153 1.00 0.00 O ATOM 688 CB TRP A 49 0.345 -1.049 6.831 1.00 0.00 C ATOM 689 CG TRP A 49 -0.751 -0.465 7.661 1.00 0.00 C ATOM 690 CD1 TRP A 49 -0.667 0.686 8.365 1.00 0.00 C ATOM 691 CD2 TRP A 49 -2.090 -0.990 7.889 1.00 0.00 C ATOM 692 NE1 TRP A 49 -1.872 0.904 9.008 1.00 0.00 N ATOM 693 CE2 TRP A 49 -2.782 -0.102 8.746 1.00 0.00 C ATOM 694 CE3 TRP A 49 -2.765 -2.139 7.438 1.00 0.00 C ATOM 695 CZ2 TRP A 49 -4.098 -0.346 9.141 1.00 0.00 C ATOM 696 CZ3 TRP A 49 -4.089 -2.387 7.833 1.00 0.00 C ATOM 697 CH2 TRP A 49 -4.754 -1.492 8.684 1.00 0.00 C ATOM 0 H TRP A 49 1.812 -1.776 4.677 1.00 0.00 H new ATOM 0 HA TRP A 49 -0.842 -0.443 5.139 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.298 -2.138 6.862 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.315 -0.761 7.236 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.199 1.330 8.417 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -2.065 1.709 9.603 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -2.261 -2.835 6.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.606 0.346 9.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -4.598 -3.271 7.480 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.772 -1.688 8.986 1.00 0.00 H new ATOM 708 N CYS A 50 0.181 1.862 5.194 1.00 0.00 N ATOM 709 CA CYS A 50 0.816 3.204 5.050 1.00 0.00 C ATOM 710 C CYS A 50 0.252 4.143 6.117 1.00 0.00 C ATOM 711 O CYS A 50 -0.943 4.207 6.327 1.00 0.00 O ATOM 712 CB CYS A 50 0.510 3.769 3.661 1.00 0.00 C ATOM 713 SG CYS A 50 1.990 4.565 2.986 1.00 0.00 S ATOM 0 H CYS A 50 -0.837 1.869 5.255 1.00 0.00 H new ATOM 0 HA CYS A 50 1.895 3.113 5.173 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.180 2.970 2.997 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.306 4.489 3.722 1.00 0.00 H new ATOM 718 N ILE A 51 1.102 4.873 6.790 1.00 0.00 N ATOM 719 CA ILE A 51 0.617 5.808 7.843 1.00 0.00 C ATOM 720 C ILE A 51 0.932 7.248 7.438 1.00 0.00 C ATOM 721 O ILE A 51 2.073 7.613 7.228 1.00 0.00 O ATOM 722 CB ILE A 51 1.307 5.482 9.167 1.00 0.00 C ATOM 723 CG1 ILE A 51 0.979 4.041 9.559 1.00 0.00 C ATOM 724 CG2 ILE A 51 0.805 6.434 10.254 1.00 0.00 C ATOM 725 CD1 ILE A 51 2.273 3.261 9.794 1.00 0.00 C ATOM 0 H ILE A 51 2.113 4.861 6.654 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.461 5.697 7.959 1.00 0.00 H new ATOM 0 HB ILE A 51 2.385 5.598 9.058 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.368 4.030 10.462 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.394 3.565 8.772 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.298 6.201 11.198 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.032 7.462 9.971 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.273 6.319 10.369 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.034 2.235 10.073 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.868 3.259 8.881 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.841 3.732 10.596 1.00 0.00 H new ATOM 737 N ALA A 52 -0.080 8.064 7.330 1.00 0.00 N ATOM 738 CA ALA A 52 0.130 9.485 6.942 1.00 0.00 C ATOM 739 C ALA A 52 -1.179 10.252 7.138 1.00 0.00 C ATOM 740 O ALA A 52 -2.244 9.670 7.171 1.00 0.00 O ATOM 741 CB ALA A 52 0.547 9.557 5.472 1.00 0.00 C ATOM 0 H ALA A 52 -1.052 7.803 7.496 1.00 0.00 H new ATOM 0 HA ALA A 52 0.913 9.924 7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.701 10.598 5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.474 9.001 5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.236 9.123 4.850 1.00 0.00 H new ATOM 747 N LEU A 53 -1.111 11.549 7.267 1.00 0.00 N ATOM 748 CA LEU A 53 -2.358 12.344 7.458 1.00 0.00 C ATOM 749 C LEU A 53 -2.357 13.545 6.509 1.00 0.00 C ATOM 750 O LEU A 53 -2.129 14.667 6.917 1.00 0.00 O ATOM 751 CB LEU A 53 -2.431 12.834 8.906 1.00 0.00 C ATOM 752 CG LEU A 53 -3.732 13.607 9.123 1.00 0.00 C ATOM 753 CD1 LEU A 53 -4.600 12.870 10.144 1.00 0.00 C ATOM 754 CD2 LEU A 53 -3.411 15.009 9.647 1.00 0.00 C ATOM 0 H LEU A 53 -0.248 12.092 7.248 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.223 11.717 7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.382 11.987 9.590 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.576 13.473 9.128 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.269 13.685 8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.527 13.421 10.299 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.829 11.871 9.773 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.063 12.792 11.089 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.338 15.561 9.802 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.874 14.930 10.592 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.792 15.536 8.921 1.00 0.00 H new ATOM 766 N PRO A 54 -2.614 13.310 5.249 1.00 0.00 N ATOM 767 CA PRO A 54 -2.650 14.388 4.218 1.00 0.00 C ATOM 768 C PRO A 54 -3.758 15.404 4.496 1.00 0.00 C ATOM 769 O PRO A 54 -3.505 16.559 4.776 1.00 0.00 O ATOM 770 CB PRO A 54 -2.942 13.649 2.906 1.00 0.00 C ATOM 771 CG PRO A 54 -2.672 12.205 3.177 1.00 0.00 C ATOM 772 CD PRO A 54 -2.894 11.991 4.671 1.00 0.00 C ATOM 0 HA PRO A 54 -1.718 14.953 4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.975 13.801 2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.309 14.020 2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.338 11.570 2.592 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.652 11.942 2.896 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.913 11.667 4.883 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.227 11.227 5.071 1.00 0.00 H new ATOM 780 N ASP A 55 -4.984 14.974 4.422 1.00 0.00 N ATOM 781 CA ASP A 55 -6.121 15.898 4.682 1.00 0.00 C ATOM 782 C ASP A 55 -7.332 15.086 5.142 1.00 0.00 C ATOM 783 O ASP A 55 -7.721 15.129 6.292 1.00 0.00 O ATOM 784 CB ASP A 55 -6.469 16.654 3.398 1.00 0.00 C ATOM 785 CG ASP A 55 -7.527 17.717 3.703 1.00 0.00 C ATOM 786 OD1 ASP A 55 -7.850 17.886 4.867 1.00 0.00 O ATOM 787 OD2 ASP A 55 -7.993 18.345 2.767 1.00 0.00 O ATOM 0 H ASP A 55 -5.250 14.017 4.191 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.844 16.613 5.457 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.575 17.123 2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.842 15.960 2.644 1.00 0.00 H new ATOM 792 N ASN A 56 -7.930 14.344 4.250 1.00 0.00 N ATOM 793 CA ASN A 56 -9.115 13.528 4.636 1.00 0.00 C ATOM 794 C ASN A 56 -9.524 12.633 3.465 1.00 0.00 C ATOM 795 O ASN A 56 -10.683 12.306 3.299 1.00 0.00 O ATOM 796 CB ASN A 56 -10.272 14.461 4.996 1.00 0.00 C ATOM 797 CG ASN A 56 -10.951 14.950 3.716 1.00 0.00 C ATOM 798 OD1 ASN A 56 -11.840 14.304 3.200 1.00 0.00 O ATOM 799 ND2 ASN A 56 -10.567 16.075 3.178 1.00 0.00 N ATOM 0 H ASN A 56 -7.649 14.268 3.272 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.866 12.905 5.495 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.992 13.938 5.625 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.903 15.310 5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.014 16.411 2.325 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.820 16.619 3.611 1.00 0.00 H new ATOM 806 N VAL A 57 -8.582 12.238 2.649 1.00 0.00 N ATOM 807 CA VAL A 57 -8.911 11.367 1.485 1.00 0.00 C ATOM 808 C VAL A 57 -8.019 10.122 1.498 1.00 0.00 C ATOM 809 O VAL A 57 -7.063 10.031 0.755 1.00 0.00 O ATOM 810 CB VAL A 57 -8.676 12.146 0.189 1.00 0.00 C ATOM 811 CG1 VAL A 57 -9.069 11.277 -1.008 1.00 0.00 C ATOM 812 CG2 VAL A 57 -9.527 13.416 0.196 1.00 0.00 C ATOM 0 H VAL A 57 -7.596 12.483 2.740 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.955 11.061 1.548 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.622 12.414 0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.902 11.832 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.463 10.371 -1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.123 11.008 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.360 13.971 -0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.581 13.148 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.248 14.036 1.048 1.00 0.00 H new ATOM 822 N PRO A 58 -8.333 9.170 2.337 1.00 0.00 N ATOM 823 CA PRO A 58 -7.552 7.908 2.449 1.00 0.00 C ATOM 824 C PRO A 58 -7.922 6.902 1.354 1.00 0.00 C ATOM 825 O PRO A 58 -7.119 6.579 0.501 1.00 0.00 O ATOM 826 CB PRO A 58 -7.945 7.371 3.824 1.00 0.00 C ATOM 827 CG PRO A 58 -9.323 7.894 4.074 1.00 0.00 C ATOM 828 CD PRO A 58 -9.469 9.192 3.272 1.00 0.00 C ATOM 0 HA PRO A 58 -6.481 8.076 2.334 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.929 6.281 3.840 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.250 7.711 4.592 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.073 7.165 3.766 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.477 8.079 5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.421 9.227 2.741 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.433 10.067 3.921 1.00 0.00 H new ATOM 836 N ILE A 59 -9.134 6.416 1.369 1.00 0.00 N ATOM 837 CA ILE A 59 -9.569 5.439 0.331 1.00 0.00 C ATOM 838 C ILE A 59 -10.654 6.086 -0.533 1.00 0.00 C ATOM 839 O ILE A 59 -11.610 6.641 -0.028 1.00 0.00 O ATOM 840 CB ILE A 59 -10.134 4.189 1.010 1.00 0.00 C ATOM 841 CG1 ILE A 59 -9.118 3.642 2.019 1.00 0.00 C ATOM 842 CG2 ILE A 59 -10.421 3.120 -0.047 1.00 0.00 C ATOM 843 CD1 ILE A 59 -7.752 3.490 1.348 1.00 0.00 C ATOM 0 H ILE A 59 -9.845 6.656 2.060 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.720 5.156 -0.291 1.00 0.00 H new ATOM 0 HB ILE A 59 -11.056 4.450 1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.041 4.315 2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -9.455 2.679 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.823 2.230 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -11.147 3.503 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.497 2.865 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.034 3.101 2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.834 2.799 0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.414 4.461 0.987 1.00 0.00 H new ATOM 855 N ARG A 60 -10.511 6.028 -1.830 1.00 0.00 N ATOM 856 CA ARG A 60 -11.530 6.648 -2.722 1.00 0.00 C ATOM 857 C ARG A 60 -12.384 5.556 -3.367 1.00 0.00 C ATOM 858 O ARG A 60 -13.258 5.834 -4.164 1.00 0.00 O ATOM 859 CB ARG A 60 -10.827 7.446 -3.821 1.00 0.00 C ATOM 860 CG ARG A 60 -9.609 8.161 -3.235 1.00 0.00 C ATOM 861 CD ARG A 60 -8.347 7.356 -3.555 1.00 0.00 C ATOM 862 NE ARG A 60 -7.169 8.006 -2.916 1.00 0.00 N ATOM 863 CZ ARG A 60 -6.111 7.299 -2.623 1.00 0.00 C ATOM 864 NH1 ARG A 60 -6.083 6.023 -2.892 1.00 0.00 N ATOM 865 NH2 ARG A 60 -5.081 7.870 -2.062 1.00 0.00 N ATOM 0 H ARG A 60 -9.732 5.577 -2.310 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.166 7.309 -2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.518 6.780 -4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.515 8.173 -4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.528 9.166 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.721 8.270 -2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.453 6.334 -3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.203 7.298 -4.634 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.189 9.004 -2.707 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.888 5.577 -3.332 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.256 5.472 -2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.102 8.868 -1.853 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.254 7.318 -1.833 1.00 0.00 H new ATOM 879 N ILE A 61 -12.134 4.318 -3.037 1.00 0.00 N ATOM 880 CA ILE A 61 -12.926 3.209 -3.641 1.00 0.00 C ATOM 881 C ILE A 61 -13.428 2.271 -2.537 1.00 0.00 C ATOM 882 O ILE A 61 -12.833 2.174 -1.481 1.00 0.00 O ATOM 883 CB ILE A 61 -12.033 2.428 -4.607 1.00 0.00 C ATOM 884 CG1 ILE A 61 -10.605 2.377 -4.054 1.00 0.00 C ATOM 885 CG2 ILE A 61 -12.030 3.116 -5.974 1.00 0.00 C ATOM 886 CD1 ILE A 61 -9.788 3.546 -4.612 1.00 0.00 C ATOM 0 H ILE A 61 -11.415 4.027 -2.375 1.00 0.00 H new ATOM 0 HA ILE A 61 -13.781 3.620 -4.177 1.00 0.00 H new ATOM 0 HB ILE A 61 -12.416 1.413 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.625 2.423 -2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -10.135 1.432 -4.324 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.393 2.558 -6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.046 3.149 -6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.648 4.132 -5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.774 3.504 -4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.755 3.480 -5.700 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.253 4.487 -4.319 1.00 0.00 H new ATOM 898 N PRO A 62 -14.511 1.578 -2.780 1.00 0.00 N ATOM 899 CA PRO A 62 -15.096 0.624 -1.793 1.00 0.00 C ATOM 900 C PRO A 62 -14.259 -0.652 -1.660 1.00 0.00 C ATOM 901 O PRO A 62 -14.752 -1.693 -1.276 1.00 0.00 O ATOM 902 CB PRO A 62 -16.474 0.297 -2.370 1.00 0.00 C ATOM 903 CG PRO A 62 -16.349 0.526 -3.839 1.00 0.00 C ATOM 904 CD PRO A 62 -15.304 1.627 -4.022 1.00 0.00 C ATOM 0 HA PRO A 62 -15.135 1.053 -0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -16.756 -0.734 -2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -17.244 0.935 -1.936 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -16.043 -0.387 -4.349 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -17.306 0.825 -4.267 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.683 1.446 -4.899 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.772 2.602 -4.159 1.00 0.00 H new ATOM 912 N GLY A 63 -12.997 -0.579 -1.984 1.00 0.00 N ATOM 913 CA GLY A 63 -12.133 -1.788 -1.884 1.00 0.00 C ATOM 914 C GLY A 63 -12.060 -2.468 -3.252 1.00 0.00 C ATOM 915 O GLY A 63 -11.567 -3.570 -3.385 1.00 0.00 O ATOM 0 H GLY A 63 -12.528 0.265 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.134 -1.509 -1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.536 -2.478 -1.143 1.00 0.00 H new ATOM 919 N LYS A 64 -12.548 -1.814 -4.270 1.00 0.00 N ATOM 920 CA LYS A 64 -12.510 -2.411 -5.632 1.00 0.00 C ATOM 921 C LYS A 64 -11.079 -2.358 -6.161 1.00 0.00 C ATOM 922 O LYS A 64 -10.395 -1.364 -6.027 1.00 0.00 O ATOM 923 CB LYS A 64 -13.429 -1.618 -6.564 1.00 0.00 C ATOM 924 CG LYS A 64 -13.542 -2.343 -7.908 1.00 0.00 C ATOM 925 CD LYS A 64 -14.517 -1.589 -8.815 1.00 0.00 C ATOM 926 CE LYS A 64 -13.936 -0.218 -9.172 1.00 0.00 C ATOM 927 NZ LYS A 64 -14.164 0.056 -10.619 1.00 0.00 N ATOM 0 H LYS A 64 -12.973 -0.888 -4.215 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.848 -3.446 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.415 -1.509 -6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.034 -0.613 -6.713 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.563 -2.407 -8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.888 -3.365 -7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.703 -2.163 -9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.477 -1.468 -8.312 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.405 0.557 -8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.869 -0.194 -8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.770 0.987 -10.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.697 -0.678 -11.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.185 0.050 -10.817 1.00 0.00 H new ATOM 941 N CYS A 65 -10.625 -3.423 -6.758 1.00 0.00 N ATOM 942 CA CYS A 65 -9.238 -3.450 -7.298 1.00 0.00 C ATOM 943 C CYS A 65 -9.288 -3.618 -8.816 1.00 0.00 C ATOM 944 O CYS A 65 -10.271 -4.072 -9.368 1.00 0.00 O ATOM 945 CB CYS A 65 -8.486 -4.623 -6.674 1.00 0.00 C ATOM 946 SG CYS A 65 -8.386 -4.396 -4.882 1.00 0.00 S ATOM 0 H CYS A 65 -11.158 -4.281 -6.896 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.727 -2.518 -7.058 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -8.996 -5.559 -6.904 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -7.484 -4.693 -7.098 1.00 0.00 H new ATOM 951 N HIS A 66 -8.237 -3.257 -9.496 1.00 0.00 N ATOM 952 CA HIS A 66 -8.227 -3.395 -10.979 1.00 0.00 C ATOM 953 C HIS A 66 -9.570 -2.931 -11.545 1.00 0.00 C ATOM 954 O HIS A 66 -10.172 -3.691 -12.287 1.00 0.00 O ATOM 955 CB HIS A 66 -7.993 -4.860 -11.353 1.00 0.00 C ATOM 956 CG HIS A 66 -7.868 -4.980 -12.848 1.00 0.00 C ATOM 957 ND1 HIS A 66 -6.814 -4.413 -13.551 1.00 0.00 N ATOM 958 CD2 HIS A 66 -8.656 -5.599 -13.788 1.00 0.00 C ATOM 959 CE1 HIS A 66 -6.995 -4.699 -14.854 1.00 0.00 C ATOM 960 NE2 HIS A 66 -8.101 -5.418 -15.049 1.00 0.00 N ATOM 961 OXT HIS A 66 -9.973 -1.824 -11.229 1.00 0.00 O ATOM 0 H HIS A 66 -7.384 -2.872 -9.090 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.428 -2.782 -11.395 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.088 -5.230 -10.870 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.819 -5.475 -10.996 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -9.566 -6.142 -13.579 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.328 -4.385 -15.643 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -8.464 -5.763 -15.938 1.00 0.00 H new TER 970 HIS A 66