USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 772 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 49 HIS : no HE2:sc= -44.1! C(o=-46!,f=-48!) USER MOD Set 1.2: A 51 TYR OH : rot 72:sc= -2.19! USER MOD Set 2.1: A 7 SER OG : rot 85:sc= 0.608 USER MOD Set 2.2: A 8 HIS : no HD1:sc= -1.7! C(o=-1.1!,f=-5!) USER MOD Single : A 1 SER N :NH3+ -120:sc= 0.783 (180deg=0) USER MOD Single : A 1 SER OG : rot -168:sc= 1.06 USER MOD Single : A 2 LYS NZ :NH3+ 145:sc=-0.00218 (180deg=-0.161) USER MOD Single : A 5 TYR OH : rot 122:sc= -2.16 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.169 USER MOD Single : A 24 MET CE :methyl -114:sc= -1.86 (180deg=-3.64!) USER MOD Single : A 25 GLN : amide:sc= -0.71 X(o=-0.71,f=-0.28) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -5.96! C(o=-6!,f=-4.8!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 70:sc= 0.916 USER MOD Single : A 44 SER OG : rot -61:sc= -1.66! USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.295 X(o=-0.3,f=-0.021) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -3.29! K(o=-3.3!,f=-1) USER MOD Single : A 70 MET CE :methyl -177:sc= -6.64! (180deg=-6.67!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -27:sc= 1.09 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -4.48! C(o=-4.5!,f=-6.8!) USER MOD Single : A 82 SER OG : rot -100:sc= 2.25 USER MOD Single : A 85 CYS SG : rot -11:sc= 0.591 USER MOD Single : A 87 GLN : amide:sc= -0.0512 K(o=-0.051,f=-1.4) USER MOD Single : A 90 MET CE :methyl 170:sc= -12.7! (180deg=-13.6!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -2.71! USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.574 17.672 16.723 1.00 0.00 N ATOM 2 CA SER A 1 15.168 17.768 16.237 1.00 0.00 C ATOM 3 C SER A 1 14.910 19.175 15.695 1.00 0.00 C ATOM 4 O SER A 1 15.711 20.073 15.866 1.00 0.00 O ATOM 5 CB SER A 1 14.209 17.483 17.393 1.00 0.00 C ATOM 6 OG SER A 1 14.954 17.324 18.593 1.00 0.00 O ATOM 0 H1 SER A 1 17.075 16.931 16.192 1.00 0.00 H new ATOM 0 H2 SER A 1 17.053 18.584 16.581 1.00 0.00 H new ATOM 0 H3 SER A 1 16.576 17.434 17.735 1.00 0.00 H new ATOM 0 HA SER A 1 15.007 17.038 15.443 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.496 18.301 17.500 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.631 16.582 17.188 1.00 0.00 H new ATOM 0 HG SER A 1 14.375 16.952 19.291 1.00 0.00 H new ATOM 14 N LYS A 2 13.798 19.375 15.043 1.00 0.00 N ATOM 15 CA LYS A 2 13.489 20.723 14.491 1.00 0.00 C ATOM 16 C LYS A 2 12.019 21.049 14.749 1.00 0.00 C ATOM 17 O LYS A 2 11.234 20.187 15.088 1.00 0.00 O ATOM 18 CB LYS A 2 13.753 20.728 12.986 1.00 0.00 C ATOM 19 CG LYS A 2 14.695 21.881 12.634 1.00 0.00 C ATOM 20 CD LYS A 2 15.186 21.719 11.194 1.00 0.00 C ATOM 21 CE LYS A 2 13.997 21.807 10.235 1.00 0.00 C ATOM 22 NZ LYS A 2 13.622 20.438 9.781 1.00 0.00 N ATOM 0 H LYS A 2 13.090 18.662 14.869 1.00 0.00 H new ATOM 0 HA LYS A 2 14.120 21.469 14.974 1.00 0.00 H new ATOM 0 HB2 LYS A 2 14.194 19.779 12.681 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.814 20.833 12.442 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.179 22.834 12.748 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.543 21.894 13.319 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.915 22.494 10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.691 20.760 11.077 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.150 22.282 10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.253 22.429 9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.590 20.382 9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.087 20.234 8.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.927 19.741 10.490 1.00 0.00 H new ATOM 36 N VAL A 3 11.638 22.287 14.598 1.00 0.00 N ATOM 37 CA VAL A 3 10.220 22.661 14.844 1.00 0.00 C ATOM 38 C VAL A 3 9.884 23.911 14.027 1.00 0.00 C ATOM 39 O VAL A 3 10.761 24.623 13.585 1.00 0.00 O ATOM 40 CB VAL A 3 10.042 22.938 16.343 1.00 0.00 C ATOM 41 CG1 VAL A 3 8.800 23.798 16.588 1.00 0.00 C ATOM 42 CG2 VAL A 3 9.887 21.609 17.086 1.00 0.00 C ATOM 0 H VAL A 3 12.248 23.054 14.315 1.00 0.00 H new ATOM 0 HA VAL A 3 9.551 21.854 14.544 1.00 0.00 H new ATOM 0 HB VAL A 3 10.919 23.474 16.707 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.691 23.983 17.657 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.906 24.748 16.064 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.917 23.276 16.218 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.760 21.800 18.152 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.013 21.079 16.706 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.777 20.999 16.930 1.00 0.00 H new ATOM 52 N VAL A 4 8.625 24.183 13.816 1.00 0.00 N ATOM 53 CA VAL A 4 8.253 25.391 13.029 1.00 0.00 C ATOM 54 C VAL A 4 6.808 25.771 13.345 1.00 0.00 C ATOM 55 O VAL A 4 5.996 24.926 13.636 1.00 0.00 O ATOM 56 CB VAL A 4 8.398 25.087 11.536 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.763 26.209 10.712 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.883 24.977 11.183 1.00 0.00 C ATOM 0 H VAL A 4 7.842 23.623 14.153 1.00 0.00 H new ATOM 0 HA VAL A 4 8.909 26.221 13.291 1.00 0.00 H new ATOM 0 HB VAL A 4 7.895 24.147 11.311 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.870 25.986 9.650 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.705 26.289 10.961 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.261 27.152 10.937 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.989 24.760 10.120 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.382 25.918 11.413 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.337 24.174 11.764 1.00 0.00 H new ATOM 68 N TYR A 5 6.480 27.033 13.298 1.00 0.00 N ATOM 69 CA TYR A 5 5.074 27.441 13.600 1.00 0.00 C ATOM 70 C TYR A 5 4.516 28.248 12.432 1.00 0.00 C ATOM 71 O TYR A 5 5.245 28.877 11.694 1.00 0.00 O ATOM 72 CB TYR A 5 5.014 28.312 14.856 1.00 0.00 C ATOM 73 CG TYR A 5 5.577 27.577 16.050 1.00 0.00 C ATOM 74 CD1 TYR A 5 6.890 27.088 16.030 1.00 0.00 C ATOM 75 CD2 TYR A 5 4.784 27.399 17.189 1.00 0.00 C ATOM 76 CE1 TYR A 5 7.403 26.419 17.147 1.00 0.00 C ATOM 77 CE2 TYR A 5 5.300 26.734 18.305 1.00 0.00 C ATOM 78 CZ TYR A 5 6.609 26.242 18.284 1.00 0.00 C ATOM 79 OH TYR A 5 7.118 25.588 19.387 1.00 0.00 O ATOM 0 H TYR A 5 7.117 27.795 13.066 1.00 0.00 H new ATOM 0 HA TYR A 5 4.487 26.537 13.761 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.575 29.232 14.692 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.982 28.600 15.055 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.505 27.227 15.153 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.772 27.776 17.206 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.414 26.039 17.131 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.687 26.600 19.184 1.00 0.00 H new ATOM 0 HH TYR A 5 7.072 26.179 20.168 1.00 0.00 H new ATOM 89 N VAL A 6 3.223 28.243 12.268 1.00 0.00 N ATOM 90 CA VAL A 6 2.610 29.017 11.150 1.00 0.00 C ATOM 91 C VAL A 6 1.374 29.755 11.639 1.00 0.00 C ATOM 92 O VAL A 6 0.573 29.218 12.377 1.00 0.00 O ATOM 93 CB VAL A 6 2.148 28.077 10.038 1.00 0.00 C ATOM 94 CG1 VAL A 6 1.955 28.879 8.745 1.00 0.00 C ATOM 95 CG2 VAL A 6 3.177 26.968 9.826 1.00 0.00 C ATOM 0 H VAL A 6 2.563 27.737 12.859 1.00 0.00 H new ATOM 0 HA VAL A 6 3.365 29.712 10.782 1.00 0.00 H new ATOM 0 HB VAL A 6 1.201 27.618 10.321 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.625 28.212 7.949 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.203 29.652 8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.899 29.344 8.461 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.838 26.304 9.031 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.134 27.408 9.547 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.294 26.399 10.749 1.00 0.00 H new ATOM 105 N SER A 7 1.168 30.952 11.176 1.00 0.00 N ATOM 106 CA SER A 7 -0.055 31.669 11.554 1.00 0.00 C ATOM 107 C SER A 7 -1.131 31.130 10.626 1.00 0.00 C ATOM 108 O SER A 7 -0.825 30.418 9.693 1.00 0.00 O ATOM 109 CB SER A 7 0.126 33.173 11.337 1.00 0.00 C ATOM 110 OG SER A 7 -0.352 33.522 10.045 1.00 0.00 O ATOM 0 H SER A 7 1.798 31.457 10.553 1.00 0.00 H new ATOM 0 HA SER A 7 -0.308 31.524 12.604 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.417 33.730 12.101 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.178 33.442 11.433 1.00 0.00 H new ATOM 0 HG SER A 7 -1.320 33.672 10.084 1.00 0.00 H new ATOM 116 N HIS A 8 -2.368 31.432 10.863 1.00 0.00 N ATOM 117 CA HIS A 8 -3.435 30.895 9.960 1.00 0.00 C ATOM 118 C HIS A 8 -2.953 30.996 8.508 1.00 0.00 C ATOM 119 O HIS A 8 -2.336 30.087 7.987 1.00 0.00 O ATOM 120 CB HIS A 8 -4.754 31.669 10.124 1.00 0.00 C ATOM 121 CG HIS A 8 -4.530 32.987 10.814 1.00 0.00 C ATOM 122 ND1 HIS A 8 -3.376 33.730 10.645 1.00 0.00 N ATOM 123 CD2 HIS A 8 -5.322 33.713 11.669 1.00 0.00 C ATOM 124 CE1 HIS A 8 -3.501 34.849 11.381 1.00 0.00 C ATOM 125 NE2 HIS A 8 -4.669 34.889 12.027 1.00 0.00 N ATOM 0 H HIS A 8 -2.694 32.019 11.631 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.625 29.855 10.226 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.203 31.840 9.145 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.461 31.070 10.699 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.302 33.417 12.012 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.748 35.621 11.442 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.009 35.623 12.649 1.00 0.00 H new ATOM 133 N ASP A 9 -3.213 32.087 7.850 1.00 0.00 N ATOM 134 CA ASP A 9 -2.752 32.237 6.451 1.00 0.00 C ATOM 135 C ASP A 9 -1.672 33.323 6.388 1.00 0.00 C ATOM 136 O ASP A 9 -1.933 34.424 5.945 1.00 0.00 O ATOM 137 CB ASP A 9 -3.936 32.649 5.576 1.00 0.00 C ATOM 138 CG ASP A 9 -5.010 33.342 6.420 1.00 0.00 C ATOM 139 OD1 ASP A 9 -4.696 34.350 7.032 1.00 0.00 O ATOM 140 OD2 ASP A 9 -6.127 32.853 6.440 1.00 0.00 O ATOM 0 H ASP A 9 -3.728 32.884 8.225 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.341 31.293 6.094 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.597 33.319 4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.359 31.771 5.088 1.00 0.00 H new ATOM 145 N GLY A 10 -0.465 33.054 6.830 1.00 0.00 N ATOM 146 CA GLY A 10 0.567 34.126 6.773 1.00 0.00 C ATOM 147 C GLY A 10 1.958 33.533 6.555 1.00 0.00 C ATOM 148 O GLY A 10 2.311 33.124 5.467 1.00 0.00 O ATOM 0 H GLY A 10 -0.160 32.161 7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.332 34.820 5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.553 34.699 7.700 1.00 0.00 H new ATOM 152 N THR A 11 2.755 33.505 7.585 1.00 0.00 N ATOM 153 CA THR A 11 4.134 32.965 7.457 1.00 0.00 C ATOM 154 C THR A 11 4.394 31.960 8.572 1.00 0.00 C ATOM 155 O THR A 11 3.522 31.638 9.354 1.00 0.00 O ATOM 156 CB THR A 11 5.139 34.116 7.562 1.00 0.00 C ATOM 157 OG1 THR A 11 4.574 35.287 6.988 1.00 0.00 O ATOM 158 CG2 THR A 11 6.422 33.748 6.816 1.00 0.00 C ATOM 0 H THR A 11 2.507 33.836 8.517 1.00 0.00 H new ATOM 0 HA THR A 11 4.244 32.470 6.492 1.00 0.00 H new ATOM 0 HB THR A 11 5.373 34.300 8.611 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.214 36.026 7.055 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.135 34.569 6.892 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.854 32.849 7.257 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.192 33.563 5.767 1.00 0.00 H new ATOM 166 N ARG A 12 5.588 31.458 8.640 1.00 0.00 N ATOM 167 CA ARG A 12 5.918 30.462 9.695 1.00 0.00 C ATOM 168 C ARG A 12 7.404 30.547 10.060 1.00 0.00 C ATOM 169 O ARG A 12 8.269 30.411 9.218 1.00 0.00 O ATOM 170 CB ARG A 12 5.605 29.061 9.169 1.00 0.00 C ATOM 171 CG ARG A 12 6.201 28.896 7.769 1.00 0.00 C ATOM 172 CD ARG A 12 5.691 27.595 7.147 1.00 0.00 C ATOM 173 NE ARG A 12 4.470 27.876 6.339 1.00 0.00 N ATOM 174 CZ ARG A 12 4.031 26.992 5.484 1.00 0.00 C ATOM 175 NH1 ARG A 12 4.660 25.857 5.331 1.00 0.00 N ATOM 176 NH2 ARG A 12 2.962 27.243 4.779 1.00 0.00 N ATOM 0 H ARG A 12 6.355 31.693 8.010 1.00 0.00 H new ATOM 0 HA ARG A 12 5.325 30.671 10.585 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.016 28.308 9.842 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.527 28.905 9.137 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.924 29.744 7.142 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.289 28.883 7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.463 27.153 6.517 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.464 26.870 7.929 1.00 0.00 H new ATOM 0 HE ARG A 12 3.976 28.761 6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.496 25.659 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.315 25.169 4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.470 28.129 4.896 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.618 26.553 4.111 1.00 0.00 H new ATOM 190 N ARG A 13 7.705 30.748 11.317 1.00 0.00 N ATOM 191 CA ARG A 13 9.133 30.815 11.742 1.00 0.00 C ATOM 192 C ARG A 13 9.597 29.405 12.090 1.00 0.00 C ATOM 193 O ARG A 13 8.824 28.470 12.070 1.00 0.00 O ATOM 194 CB ARG A 13 9.273 31.718 12.972 1.00 0.00 C ATOM 195 CG ARG A 13 8.310 32.901 12.856 1.00 0.00 C ATOM 196 CD ARG A 13 8.332 33.707 14.156 1.00 0.00 C ATOM 197 NE ARG A 13 7.435 34.889 14.023 1.00 0.00 N ATOM 198 CZ ARG A 13 7.063 35.553 15.084 1.00 0.00 C ATOM 199 NH1 ARG A 13 7.475 35.185 16.268 1.00 0.00 N ATOM 200 NH2 ARG A 13 6.277 36.588 14.962 1.00 0.00 N ATOM 0 H ARG A 13 7.023 30.868 12.066 1.00 0.00 H new ATOM 0 HA ARG A 13 9.740 31.226 10.936 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.060 31.150 13.878 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.298 32.078 13.056 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.596 33.536 12.017 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.300 32.543 12.655 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.008 33.083 14.989 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.349 34.032 14.378 1.00 0.00 H new ATOM 0 HE ARG A 13 7.111 35.180 13.101 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.089 34.377 16.366 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.182 35.706 17.095 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.954 36.877 14.039 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.986 37.108 15.790 1.00 0.00 H new ATOM 214 N GLN A 14 10.846 29.233 12.401 1.00 0.00 N ATOM 215 CA GLN A 14 11.327 27.865 12.739 1.00 0.00 C ATOM 216 C GLN A 14 12.213 27.906 13.988 1.00 0.00 C ATOM 217 O GLN A 14 13.007 28.807 14.170 1.00 0.00 O ATOM 218 CB GLN A 14 12.131 27.305 11.564 1.00 0.00 C ATOM 219 CG GLN A 14 13.255 28.278 11.203 1.00 0.00 C ATOM 220 CD GLN A 14 14.304 27.556 10.356 1.00 0.00 C ATOM 221 OE1 GLN A 14 15.131 26.835 10.878 1.00 0.00 O ATOM 222 NE2 GLN A 14 14.306 27.720 9.062 1.00 0.00 N ATOM 0 H GLN A 14 11.551 29.970 12.437 1.00 0.00 H new ATOM 0 HA GLN A 14 10.466 27.226 12.937 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.548 26.333 11.826 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.479 27.151 10.704 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.851 29.128 10.654 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.713 28.673 12.110 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.612 28.325 8.624 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.002 27.243 8.489 1.00 0.00 H new ATOM 231 N LEU A 15 12.090 26.924 14.843 1.00 0.00 N ATOM 232 CA LEU A 15 12.927 26.888 16.073 1.00 0.00 C ATOM 233 C LEU A 15 13.443 25.472 16.291 1.00 0.00 C ATOM 234 O LEU A 15 13.218 24.581 15.496 1.00 0.00 O ATOM 235 CB LEU A 15 12.102 27.313 17.290 1.00 0.00 C ATOM 236 CG LEU A 15 10.688 26.753 17.186 1.00 0.00 C ATOM 237 CD1 LEU A 15 10.188 26.386 18.584 1.00 0.00 C ATOM 238 CD2 LEU A 15 9.773 27.816 16.582 1.00 0.00 C ATOM 0 H LEU A 15 11.442 26.143 14.739 1.00 0.00 H new ATOM 0 HA LEU A 15 13.763 27.576 15.950 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.577 26.955 18.204 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.067 28.401 17.354 1.00 0.00 H new ATOM 0 HG LEU A 15 10.686 25.865 16.553 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.177 25.985 18.515 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.847 25.636 19.021 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.183 27.276 19.214 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.760 27.422 16.505 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.771 28.700 17.220 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.134 28.086 15.590 1.00 0.00 H new ATOM 250 N ASP A 16 14.135 25.265 17.368 1.00 0.00 N ATOM 251 CA ASP A 16 14.679 23.909 17.662 1.00 0.00 C ATOM 252 C ASP A 16 14.245 23.478 19.065 1.00 0.00 C ATOM 253 O ASP A 16 15.041 23.421 19.981 1.00 0.00 O ATOM 254 CB ASP A 16 16.207 23.947 17.591 1.00 0.00 C ATOM 255 CG ASP A 16 16.659 23.665 16.157 1.00 0.00 C ATOM 256 OD1 ASP A 16 15.800 23.446 15.318 1.00 0.00 O ATOM 257 OD2 ASP A 16 17.856 23.673 15.921 1.00 0.00 O ATOM 0 H ASP A 16 14.351 25.978 18.065 1.00 0.00 H new ATOM 0 HA ASP A 16 14.298 23.198 16.929 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.572 24.922 17.914 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.632 23.207 18.269 1.00 0.00 H new ATOM 262 N VAL A 17 12.988 23.173 19.239 1.00 0.00 N ATOM 263 CA VAL A 17 12.503 22.746 20.582 1.00 0.00 C ATOM 264 C VAL A 17 13.345 21.571 21.080 1.00 0.00 C ATOM 265 O VAL A 17 13.303 20.487 20.533 1.00 0.00 O ATOM 266 CB VAL A 17 11.038 22.317 20.478 1.00 0.00 C ATOM 267 CG1 VAL A 17 10.524 21.914 21.861 1.00 0.00 C ATOM 268 CG2 VAL A 17 10.205 23.485 19.946 1.00 0.00 C ATOM 0 H VAL A 17 12.276 23.201 18.509 1.00 0.00 H new ATOM 0 HA VAL A 17 12.592 23.576 21.283 1.00 0.00 H new ATOM 0 HB VAL A 17 10.954 21.469 19.799 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.480 21.608 21.786 1.00 0.00 H new ATOM 0 HG12 VAL A 17 11.119 21.084 22.243 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.606 22.762 22.541 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.161 23.182 19.871 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.289 24.332 20.627 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.571 23.774 18.961 1.00 0.00 H new ATOM 278 N ALA A 18 14.111 21.777 22.117 1.00 0.00 N ATOM 279 CA ALA A 18 14.956 20.672 22.652 1.00 0.00 C ATOM 280 C ALA A 18 14.116 19.402 22.780 1.00 0.00 C ATOM 281 O ALA A 18 12.919 19.412 22.570 1.00 0.00 O ATOM 282 CB ALA A 18 15.497 21.066 24.028 1.00 0.00 C ATOM 0 H ALA A 18 14.188 22.663 22.617 1.00 0.00 H new ATOM 0 HA ALA A 18 15.788 20.489 21.972 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.115 20.259 24.421 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.097 21.971 23.937 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.665 21.249 24.708 1.00 0.00 H new ATOM 288 N ASP A 19 14.735 18.308 23.126 1.00 0.00 N ATOM 289 CA ASP A 19 13.981 17.040 23.273 1.00 0.00 C ATOM 290 C ASP A 19 13.354 16.988 24.661 1.00 0.00 C ATOM 291 O ASP A 19 14.021 17.125 25.667 1.00 0.00 O ATOM 292 CB ASP A 19 14.924 15.851 23.097 1.00 0.00 C ATOM 293 CG ASP A 19 15.490 15.852 21.676 1.00 0.00 C ATOM 294 OD1 ASP A 19 14.805 16.332 20.787 1.00 0.00 O ATOM 295 OD2 ASP A 19 16.598 15.373 21.501 1.00 0.00 O ATOM 0 H ASP A 19 15.735 18.241 23.313 1.00 0.00 H new ATOM 0 HA ASP A 19 13.201 16.993 22.513 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.735 15.907 23.823 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.391 14.920 23.286 1.00 0.00 H new ATOM 300 N GLY A 20 12.075 16.793 24.713 1.00 0.00 N ATOM 301 CA GLY A 20 11.376 16.731 26.028 1.00 0.00 C ATOM 302 C GLY A 20 10.800 18.107 26.363 1.00 0.00 C ATOM 303 O GLY A 20 10.492 18.402 27.500 1.00 0.00 O ATOM 0 H GLY A 20 11.473 16.672 23.898 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.578 15.989 25.993 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.070 16.416 26.807 1.00 0.00 H new ATOM 307 N VAL A 21 10.651 18.953 25.379 1.00 0.00 N ATOM 308 CA VAL A 21 10.094 20.311 25.641 1.00 0.00 C ATOM 309 C VAL A 21 8.787 20.479 24.866 1.00 0.00 C ATOM 310 O VAL A 21 8.560 19.831 23.866 1.00 0.00 O ATOM 311 CB VAL A 21 11.089 21.380 25.180 1.00 0.00 C ATOM 312 CG1 VAL A 21 10.979 22.607 26.086 1.00 0.00 C ATOM 313 CG2 VAL A 21 12.515 20.826 25.246 1.00 0.00 C ATOM 0 H VAL A 21 10.891 18.762 24.406 1.00 0.00 H new ATOM 0 HA VAL A 21 9.911 20.423 26.710 1.00 0.00 H new ATOM 0 HB VAL A 21 10.859 21.662 24.153 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.688 23.367 25.757 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.967 23.008 26.034 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.204 22.322 27.114 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.218 21.591 24.917 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.746 20.538 26.271 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.597 19.954 24.597 1.00 0.00 H new ATOM 323 N SER A 22 7.930 21.350 25.315 1.00 0.00 N ATOM 324 CA SER A 22 6.641 21.564 24.600 1.00 0.00 C ATOM 325 C SER A 22 6.807 22.702 23.592 1.00 0.00 C ATOM 326 O SER A 22 7.375 23.732 23.896 1.00 0.00 O ATOM 327 CB SER A 22 5.554 21.933 25.609 1.00 0.00 C ATOM 328 OG SER A 22 5.712 21.141 26.780 1.00 0.00 O ATOM 0 H SER A 22 8.065 21.924 26.147 1.00 0.00 H new ATOM 0 HA SER A 22 6.356 20.651 24.078 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.619 22.992 25.860 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.568 21.769 25.175 1.00 0.00 H new ATOM 0 HG SER A 22 5.017 21.376 27.430 1.00 0.00 H new ATOM 334 N LEU A 23 6.320 22.529 22.393 1.00 0.00 N ATOM 335 CA LEU A 23 6.457 23.612 21.379 1.00 0.00 C ATOM 336 C LEU A 23 6.097 24.949 22.028 1.00 0.00 C ATOM 337 O LEU A 23 6.678 25.973 21.730 1.00 0.00 O ATOM 338 CB LEU A 23 5.516 23.343 20.201 1.00 0.00 C ATOM 339 CG LEU A 23 6.094 22.234 19.317 1.00 0.00 C ATOM 340 CD1 LEU A 23 5.286 22.140 18.022 1.00 0.00 C ATOM 341 CD2 LEU A 23 7.553 22.549 18.981 1.00 0.00 C ATOM 0 H LEU A 23 5.836 21.690 22.074 1.00 0.00 H new ATOM 0 HA LEU A 23 7.483 23.643 21.013 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.532 23.052 20.569 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.381 24.253 19.617 1.00 0.00 H new ATOM 0 HG LEU A 23 6.042 21.285 19.851 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.697 21.351 17.393 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.247 21.912 18.257 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.337 23.091 17.491 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.961 21.758 18.352 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.607 23.499 18.449 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.132 22.615 19.902 1.00 0.00 H new ATOM 353 N MET A 24 5.147 24.945 22.924 1.00 0.00 N ATOM 354 CA MET A 24 4.759 26.213 23.600 1.00 0.00 C ATOM 355 C MET A 24 5.931 26.701 24.452 1.00 0.00 C ATOM 356 O MET A 24 6.293 27.860 24.424 1.00 0.00 O ATOM 357 CB MET A 24 3.543 25.965 24.495 1.00 0.00 C ATOM 358 CG MET A 24 3.213 27.240 25.274 1.00 0.00 C ATOM 359 SD MET A 24 4.096 27.227 26.854 1.00 0.00 S ATOM 360 CE MET A 24 3.067 28.453 27.699 1.00 0.00 C ATOM 0 H MET A 24 4.624 24.119 23.216 1.00 0.00 H new ATOM 0 HA MET A 24 4.507 26.967 22.854 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.688 25.665 23.889 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.747 25.147 25.186 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.497 28.118 24.693 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.139 27.306 25.446 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.658 29.346 27.903 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.220 28.716 27.065 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.702 28.037 28.638 1.00 0.00 H new ATOM 370 N GLN A 25 6.531 25.820 25.207 1.00 0.00 N ATOM 371 CA GLN A 25 7.685 26.228 26.056 1.00 0.00 C ATOM 372 C GLN A 25 8.734 26.916 25.182 1.00 0.00 C ATOM 373 O GLN A 25 9.175 28.008 25.471 1.00 0.00 O ATOM 374 CB GLN A 25 8.298 24.989 26.713 1.00 0.00 C ATOM 375 CG GLN A 25 8.837 25.359 28.096 1.00 0.00 C ATOM 376 CD GLN A 25 7.670 25.708 29.022 1.00 0.00 C ATOM 377 OE1 GLN A 25 7.714 26.695 29.729 1.00 0.00 O ATOM 378 NE2 GLN A 25 6.619 24.934 29.047 1.00 0.00 N ATOM 0 H GLN A 25 6.271 24.836 25.272 1.00 0.00 H new ATOM 0 HA GLN A 25 7.346 26.916 26.830 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.548 24.203 26.802 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.102 24.595 26.091 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.408 24.528 28.510 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.519 26.206 28.018 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.582 24.105 28.454 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.835 25.158 29.660 1.00 0.00 H new ATOM 387 N ALA A 26 9.134 26.286 24.110 1.00 0.00 N ATOM 388 CA ALA A 26 10.152 26.910 23.215 1.00 0.00 C ATOM 389 C ALA A 26 9.579 28.200 22.625 1.00 0.00 C ATOM 390 O ALA A 26 10.304 29.088 22.222 1.00 0.00 O ATOM 391 CB ALA A 26 10.498 25.940 22.084 1.00 0.00 C ATOM 0 H ALA A 26 8.801 25.368 23.815 1.00 0.00 H new ATOM 0 HA ALA A 26 11.053 27.137 23.785 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.242 26.395 21.429 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.900 25.019 22.505 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.599 25.715 21.510 1.00 0.00 H new ATOM 397 N ALA A 27 8.281 28.307 22.571 1.00 0.00 N ATOM 398 CA ALA A 27 7.652 29.534 22.010 1.00 0.00 C ATOM 399 C ALA A 27 7.916 30.722 22.941 1.00 0.00 C ATOM 400 O ALA A 27 7.935 31.859 22.518 1.00 0.00 O ATOM 401 CB ALA A 27 6.144 29.311 21.882 1.00 0.00 C ATOM 0 H ALA A 27 7.626 27.594 22.893 1.00 0.00 H new ATOM 0 HA ALA A 27 8.078 29.746 21.029 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.677 30.206 21.472 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.956 28.467 21.218 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.723 29.100 22.865 1.00 0.00 H new ATOM 407 N VAL A 28 8.118 30.472 24.206 1.00 0.00 N ATOM 408 CA VAL A 28 8.377 31.597 25.151 1.00 0.00 C ATOM 409 C VAL A 28 9.600 32.387 24.677 1.00 0.00 C ATOM 410 O VAL A 28 9.607 33.602 24.678 1.00 0.00 O ATOM 411 CB VAL A 28 8.629 31.042 26.557 1.00 0.00 C ATOM 412 CG1 VAL A 28 7.615 29.937 26.859 1.00 0.00 C ATOM 413 CG2 VAL A 28 10.047 30.466 26.645 1.00 0.00 C ATOM 0 H VAL A 28 8.115 29.542 24.625 1.00 0.00 H new ATOM 0 HA VAL A 28 7.510 32.256 25.179 1.00 0.00 H new ATOM 0 HB VAL A 28 8.522 31.848 27.283 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.794 29.542 27.859 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.606 30.345 26.805 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.722 29.136 26.128 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.219 30.073 27.647 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.159 29.663 25.917 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.773 31.252 26.434 1.00 0.00 H new ATOM 423 N SER A 29 10.633 31.703 24.272 1.00 0.00 N ATOM 424 CA SER A 29 11.858 32.404 23.795 1.00 0.00 C ATOM 425 C SER A 29 11.663 32.830 22.341 1.00 0.00 C ATOM 426 O SER A 29 11.782 33.991 22.000 1.00 0.00 O ATOM 427 CB SER A 29 13.044 31.451 23.873 1.00 0.00 C ATOM 428 OG SER A 29 14.247 32.202 23.970 1.00 0.00 O ATOM 0 H SER A 29 10.682 30.684 24.251 1.00 0.00 H new ATOM 0 HA SER A 29 12.042 33.280 24.417 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.941 30.795 24.737 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.071 30.813 22.990 1.00 0.00 H new ATOM 0 HG SER A 29 15.011 31.591 24.022 1.00 0.00 H new ATOM 434 N ASN A 30 11.363 31.895 21.481 1.00 0.00 N ATOM 435 CA ASN A 30 11.156 32.237 20.047 1.00 0.00 C ATOM 436 C ASN A 30 10.181 33.410 19.941 1.00 0.00 C ATOM 437 O ASN A 30 10.138 34.108 18.947 1.00 0.00 O ATOM 438 CB ASN A 30 10.583 31.023 19.313 1.00 0.00 C ATOM 439 CG ASN A 30 11.726 30.096 18.899 1.00 0.00 C ATOM 440 OD1 ASN A 30 12.423 30.362 17.940 1.00 0.00 O ATOM 441 ND2 ASN A 30 11.951 29.011 19.589 1.00 0.00 N ATOM 0 H ASN A 30 11.252 30.907 21.711 1.00 0.00 H new ATOM 0 HA ASN A 30 12.108 32.516 19.595 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.883 30.491 19.958 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.025 31.345 18.434 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.712 28.386 19.323 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.366 28.788 20.394 1.00 0.00 H new ATOM 448 N GLY A 31 9.401 33.634 20.961 1.00 0.00 N ATOM 449 CA GLY A 31 8.430 34.766 20.925 1.00 0.00 C ATOM 450 C GLY A 31 7.155 34.332 20.198 1.00 0.00 C ATOM 451 O GLY A 31 6.406 35.148 19.699 1.00 0.00 O ATOM 0 H GLY A 31 9.393 33.083 21.819 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.191 35.084 21.940 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.875 35.623 20.419 1.00 0.00 H new ATOM 455 N ILE A 32 6.901 33.054 20.135 1.00 0.00 N ATOM 456 CA ILE A 32 5.672 32.568 19.441 1.00 0.00 C ATOM 457 C ILE A 32 4.600 32.288 20.480 1.00 0.00 C ATOM 458 O ILE A 32 3.420 32.446 20.241 1.00 0.00 O ATOM 459 CB ILE A 32 5.988 31.291 18.665 1.00 0.00 C ATOM 460 CG1 ILE A 32 7.451 31.330 18.243 1.00 0.00 C ATOM 461 CG2 ILE A 32 5.100 31.206 17.422 1.00 0.00 C ATOM 462 CD1 ILE A 32 7.777 30.103 17.394 1.00 0.00 C ATOM 0 H ILE A 32 7.491 32.324 20.534 1.00 0.00 H new ATOM 0 HA ILE A 32 5.318 33.326 18.742 1.00 0.00 H new ATOM 0 HB ILE A 32 5.801 30.420 19.293 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.652 32.239 17.676 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.093 31.355 19.124 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.330 30.293 16.872 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.053 31.194 17.723 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.284 32.070 16.784 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.825 30.136 17.095 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.594 29.199 17.975 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.146 30.097 16.505 1.00 0.00 H new ATOM 474 N TYR A 33 5.009 31.893 21.642 1.00 0.00 N ATOM 475 CA TYR A 33 4.019 31.630 22.716 1.00 0.00 C ATOM 476 C TYR A 33 3.132 32.867 22.816 1.00 0.00 C ATOM 477 O TYR A 33 1.940 32.788 23.038 1.00 0.00 O ATOM 478 CB TYR A 33 4.763 31.359 24.042 1.00 0.00 C ATOM 479 CG TYR A 33 4.670 32.544 24.984 1.00 0.00 C ATOM 480 CD1 TYR A 33 5.408 33.704 24.724 1.00 0.00 C ATOM 481 CD2 TYR A 33 3.845 32.477 26.113 1.00 0.00 C ATOM 482 CE1 TYR A 33 5.322 34.798 25.593 1.00 0.00 C ATOM 483 CE2 TYR A 33 3.759 33.571 26.982 1.00 0.00 C ATOM 484 CZ TYR A 33 4.497 34.731 26.723 1.00 0.00 C ATOM 485 OH TYR A 33 4.412 35.810 27.580 1.00 0.00 O ATOM 0 H TYR A 33 5.984 31.740 21.899 1.00 0.00 H new ATOM 0 HA TYR A 33 3.407 30.754 22.500 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.341 30.476 24.523 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.810 31.139 23.834 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.044 33.755 23.853 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.275 31.582 26.313 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.892 35.693 25.392 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.123 33.520 27.853 1.00 0.00 H new ATOM 0 HH TYR A 33 3.796 35.599 28.312 1.00 0.00 H new ATOM 495 N ASP A 34 3.725 34.013 22.633 1.00 0.00 N ATOM 496 CA ASP A 34 2.952 35.278 22.690 1.00 0.00 C ATOM 497 C ASP A 34 2.079 35.385 21.440 1.00 0.00 C ATOM 498 O ASP A 34 0.971 35.881 21.491 1.00 0.00 O ATOM 499 CB ASP A 34 3.915 36.465 22.746 1.00 0.00 C ATOM 500 CG ASP A 34 3.124 37.755 22.969 1.00 0.00 C ATOM 501 OD1 ASP A 34 2.862 38.075 24.117 1.00 0.00 O ATOM 502 OD2 ASP A 34 2.794 38.402 21.988 1.00 0.00 O ATOM 0 H ASP A 34 4.721 34.125 22.445 1.00 0.00 H new ATOM 0 HA ASP A 34 2.323 35.285 23.580 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.636 36.324 23.551 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.483 36.530 21.818 1.00 0.00 H new ATOM 507 N ILE A 35 2.559 34.922 20.312 1.00 0.00 N ATOM 508 CA ILE A 35 1.725 35.009 19.078 1.00 0.00 C ATOM 509 C ILE A 35 0.750 33.826 19.037 1.00 0.00 C ATOM 510 O ILE A 35 0.028 33.637 18.078 1.00 0.00 O ATOM 511 CB ILE A 35 2.628 35.001 17.835 1.00 0.00 C ATOM 512 CG1 ILE A 35 2.999 33.564 17.456 1.00 0.00 C ATOM 513 CG2 ILE A 35 3.904 35.790 18.130 1.00 0.00 C ATOM 514 CD1 ILE A 35 3.852 33.575 16.187 1.00 0.00 C ATOM 0 H ILE A 35 3.478 34.494 20.194 1.00 0.00 H new ATOM 0 HA ILE A 35 1.156 35.939 19.088 1.00 0.00 H new ATOM 0 HB ILE A 35 2.090 35.459 17.005 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.547 33.092 18.271 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.096 32.975 17.295 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.546 35.786 17.249 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.645 36.818 18.386 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.431 35.330 18.966 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.116 32.552 15.917 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.288 34.031 15.373 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.761 34.150 16.365 1.00 0.00 H new ATOM 526 N VAL A 36 0.722 33.030 20.074 1.00 0.00 N ATOM 527 CA VAL A 36 -0.206 31.863 20.099 1.00 0.00 C ATOM 528 C VAL A 36 -0.229 31.261 21.507 1.00 0.00 C ATOM 529 O VAL A 36 0.783 30.836 22.027 1.00 0.00 O ATOM 530 CB VAL A 36 0.274 30.804 19.104 1.00 0.00 C ATOM 531 CG1 VAL A 36 -0.289 31.113 17.716 1.00 0.00 C ATOM 532 CG2 VAL A 36 1.803 30.814 19.047 1.00 0.00 C ATOM 0 H VAL A 36 1.303 33.139 20.905 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.208 32.192 19.824 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.072 29.822 19.425 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.053 30.358 17.008 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.378 31.106 17.755 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.056 32.096 17.394 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.146 30.060 18.338 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.149 31.797 18.726 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.205 30.592 20.035 1.00 0.00 H new ATOM 542 N GLY A 37 -1.377 31.222 22.129 1.00 0.00 N ATOM 543 CA GLY A 37 -1.462 30.647 23.503 1.00 0.00 C ATOM 544 C GLY A 37 -2.210 31.617 24.420 1.00 0.00 C ATOM 545 O GLY A 37 -2.479 32.745 24.057 1.00 0.00 O ATOM 0 H GLY A 37 -2.259 31.563 21.746 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.977 29.687 23.475 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.461 30.461 23.893 1.00 0.00 H new ATOM 549 N ASP A 38 -2.550 31.188 25.606 1.00 0.00 N ATOM 550 CA ASP A 38 -3.281 32.090 26.541 1.00 0.00 C ATOM 551 C ASP A 38 -3.179 31.549 27.969 1.00 0.00 C ATOM 552 O ASP A 38 -2.675 32.208 28.856 1.00 0.00 O ATOM 553 CB ASP A 38 -4.753 32.167 26.132 1.00 0.00 C ATOM 554 CG ASP A 38 -4.976 33.399 25.252 1.00 0.00 C ATOM 555 OD1 ASP A 38 -4.224 34.348 25.395 1.00 0.00 O ATOM 556 OD2 ASP A 38 -5.895 33.370 24.450 1.00 0.00 O ATOM 0 H ASP A 38 -2.354 30.254 25.967 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.837 33.085 26.499 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.039 31.265 25.591 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.385 32.221 27.018 1.00 0.00 H new ATOM 561 N CYS A 39 -3.659 30.357 28.202 1.00 0.00 N ATOM 562 CA CYS A 39 -3.592 29.788 29.578 1.00 0.00 C ATOM 563 C CYS A 39 -2.211 29.167 29.815 1.00 0.00 C ATOM 564 O CYS A 39 -1.983 28.497 30.802 1.00 0.00 O ATOM 565 CB CYS A 39 -4.693 28.729 29.752 1.00 0.00 C ATOM 566 SG CYS A 39 -4.185 27.152 29.012 1.00 0.00 S ATOM 0 H CYS A 39 -4.093 29.755 27.502 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.748 30.582 30.308 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.905 28.588 30.812 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.615 29.075 29.286 1.00 0.00 H new ATOM 571 N GLY A 40 -1.289 29.386 28.917 1.00 0.00 N ATOM 572 CA GLY A 40 0.074 28.810 29.092 1.00 0.00 C ATOM 573 C GLY A 40 -0.023 27.289 29.218 1.00 0.00 C ATOM 574 O GLY A 40 0.048 26.570 28.241 1.00 0.00 O ATOM 0 H GLY A 40 -1.421 29.939 28.070 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.703 29.075 28.242 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.545 29.229 29.981 1.00 0.00 H new ATOM 578 N GLY A 41 -0.185 26.792 30.414 1.00 0.00 N ATOM 579 CA GLY A 41 -0.286 25.316 30.601 1.00 0.00 C ATOM 580 C GLY A 41 -1.493 24.783 29.828 1.00 0.00 C ATOM 581 O GLY A 41 -1.620 24.988 28.637 1.00 0.00 O ATOM 0 H GLY A 41 -0.252 27.344 31.269 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.626 24.832 30.251 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.386 25.079 31.660 1.00 0.00 H new ATOM 585 N SER A 42 -2.381 24.098 30.495 1.00 0.00 N ATOM 586 CA SER A 42 -3.578 23.552 29.795 1.00 0.00 C ATOM 587 C SER A 42 -4.816 23.744 30.674 1.00 0.00 C ATOM 588 O SER A 42 -5.588 22.829 30.883 1.00 0.00 O ATOM 589 CB SER A 42 -3.373 22.062 29.522 1.00 0.00 C ATOM 590 OG SER A 42 -3.532 21.336 30.734 1.00 0.00 O ATOM 0 H SER A 42 -2.330 23.893 31.493 1.00 0.00 H new ATOM 0 HA SER A 42 -3.718 24.079 28.851 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.091 21.714 28.780 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.379 21.890 29.109 1.00 0.00 H new ATOM 0 HG SER A 42 -4.473 21.356 31.006 1.00 0.00 H new ATOM 596 N ALA A 43 -5.012 24.926 31.191 1.00 0.00 N ATOM 597 CA ALA A 43 -6.200 25.172 32.054 1.00 0.00 C ATOM 598 C ALA A 43 -7.476 24.896 31.256 1.00 0.00 C ATOM 599 O ALA A 43 -7.943 23.776 31.186 1.00 0.00 O ATOM 600 CB ALA A 43 -6.196 26.627 32.529 1.00 0.00 C ATOM 0 H ALA A 43 -4.401 25.731 31.053 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.163 24.510 32.919 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.066 26.806 33.161 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.288 26.821 33.099 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.231 27.292 31.666 1.00 0.00 H new ATOM 606 N SER A 44 -8.048 25.904 30.652 1.00 0.00 N ATOM 607 CA SER A 44 -9.293 25.683 29.864 1.00 0.00 C ATOM 608 C SER A 44 -9.501 26.839 28.881 1.00 0.00 C ATOM 609 O SER A 44 -10.500 27.528 28.927 1.00 0.00 O ATOM 610 CB SER A 44 -10.488 25.605 30.815 1.00 0.00 C ATOM 611 OG SER A 44 -11.667 25.344 30.066 1.00 0.00 O ATOM 0 H SER A 44 -7.708 26.866 30.671 1.00 0.00 H new ATOM 0 HA SER A 44 -9.204 24.750 29.307 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.330 24.818 31.552 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.592 26.541 31.365 1.00 0.00 H new ATOM 0 HG SER A 44 -11.821 26.076 29.433 1.00 0.00 H new ATOM 617 N CYS A 45 -8.574 27.054 27.986 1.00 0.00 N ATOM 618 CA CYS A 45 -8.740 28.163 27.004 1.00 0.00 C ATOM 619 C CYS A 45 -9.051 27.572 25.623 1.00 0.00 C ATOM 620 O CYS A 45 -9.274 26.387 25.483 1.00 0.00 O ATOM 621 CB CYS A 45 -7.457 29.015 26.958 1.00 0.00 C ATOM 622 SG CYS A 45 -6.248 28.312 25.800 1.00 0.00 S ATOM 0 H CYS A 45 -7.714 26.513 27.893 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.567 28.806 27.307 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.703 30.033 26.658 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.019 29.074 27.955 1.00 0.00 H new ATOM 627 N ALA A 46 -9.065 28.387 24.604 1.00 0.00 N ATOM 628 CA ALA A 46 -9.360 27.864 23.240 1.00 0.00 C ATOM 629 C ALA A 46 -8.572 28.666 22.204 1.00 0.00 C ATOM 630 O ALA A 46 -8.907 28.689 21.036 1.00 0.00 O ATOM 631 CB ALA A 46 -10.858 27.996 22.956 1.00 0.00 C ATOM 0 H ALA A 46 -8.885 29.390 24.656 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.070 26.815 23.183 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.074 27.614 21.958 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.420 27.423 23.694 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.148 29.045 23.013 1.00 0.00 H new ATOM 637 N THR A 47 -7.527 29.327 22.621 1.00 0.00 N ATOM 638 CA THR A 47 -6.721 30.129 21.659 1.00 0.00 C ATOM 639 C THR A 47 -5.606 29.262 21.069 1.00 0.00 C ATOM 640 O THR A 47 -5.080 29.549 20.012 1.00 0.00 O ATOM 641 CB THR A 47 -6.104 31.328 22.385 1.00 0.00 C ATOM 642 OG1 THR A 47 -5.603 32.251 21.429 1.00 0.00 O ATOM 643 CG2 THR A 47 -4.962 30.851 23.284 1.00 0.00 C ATOM 0 H THR A 47 -7.197 29.346 23.586 1.00 0.00 H new ATOM 0 HA THR A 47 -7.367 30.481 20.855 1.00 0.00 H new ATOM 0 HB THR A 47 -6.865 31.814 22.996 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.209 33.020 21.892 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.524 31.705 23.800 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.348 30.143 24.017 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.199 30.364 22.676 1.00 0.00 H new ATOM 651 N CYS A 48 -5.236 28.206 21.743 1.00 0.00 N ATOM 652 CA CYS A 48 -4.151 27.335 21.212 1.00 0.00 C ATOM 653 C CYS A 48 -4.730 26.277 20.266 1.00 0.00 C ATOM 654 O CYS A 48 -4.339 25.128 20.286 1.00 0.00 O ATOM 655 CB CYS A 48 -3.377 26.686 22.364 1.00 0.00 C ATOM 656 SG CYS A 48 -4.402 25.477 23.232 1.00 0.00 S ATOM 0 H CYS A 48 -5.636 27.911 22.634 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.454 27.949 20.642 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.482 26.198 21.977 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.045 27.454 23.062 1.00 0.00 H new ATOM 661 N HIS A 49 -5.646 26.683 19.423 1.00 0.00 N ATOM 662 CA HIS A 49 -6.258 25.753 18.423 1.00 0.00 C ATOM 663 C HIS A 49 -5.291 25.657 17.240 1.00 0.00 C ATOM 664 O HIS A 49 -5.616 26.043 16.134 1.00 0.00 O ATOM 665 CB HIS A 49 -7.574 26.376 17.934 1.00 0.00 C ATOM 666 CG HIS A 49 -8.374 25.394 17.124 1.00 0.00 C ATOM 667 ND1 HIS A 49 -8.407 25.477 15.753 1.00 0.00 N ATOM 668 CD2 HIS A 49 -9.175 24.323 17.446 1.00 0.00 C ATOM 669 CE1 HIS A 49 -9.186 24.484 15.307 1.00 0.00 C ATOM 670 NE2 HIS A 49 -9.677 23.756 16.297 1.00 0.00 N ATOM 0 H HIS A 49 -6.002 27.638 19.385 1.00 0.00 H new ATOM 0 HA HIS A 49 -6.445 24.770 18.854 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.161 26.709 18.790 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.359 27.259 17.331 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.925 26.169 15.179 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.379 23.979 18.449 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.390 24.299 14.263 1.00 0.00 H new ATOM 678 N VAL A 50 -4.092 25.195 17.459 1.00 0.00 N ATOM 679 CA VAL A 50 -3.120 25.152 16.343 1.00 0.00 C ATOM 680 C VAL A 50 -3.423 24.005 15.408 1.00 0.00 C ATOM 681 O VAL A 50 -3.909 22.964 15.797 1.00 0.00 O ATOM 682 CB VAL A 50 -1.704 24.987 16.877 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.414 26.075 17.912 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.560 23.609 17.523 1.00 0.00 C ATOM 0 H VAL A 50 -3.749 24.849 18.355 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.202 26.093 15.798 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.994 25.077 16.055 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.400 25.954 18.292 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.513 27.056 17.446 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.123 25.992 18.736 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.546 23.491 17.905 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.271 23.516 18.344 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.760 22.836 16.781 1.00 0.00 H new ATOM 694 N TYR A 51 -3.111 24.199 14.173 1.00 0.00 N ATOM 695 CA TYR A 51 -3.337 23.145 13.170 1.00 0.00 C ATOM 696 C TYR A 51 -1.971 22.590 12.778 1.00 0.00 C ATOM 697 O TYR A 51 -1.204 23.211 12.072 1.00 0.00 O ATOM 698 CB TYR A 51 -4.037 23.769 11.981 1.00 0.00 C ATOM 699 CG TYR A 51 -5.540 23.644 12.143 1.00 0.00 C ATOM 700 CD1 TYR A 51 -6.169 22.446 11.798 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.306 24.725 12.616 1.00 0.00 C ATOM 702 CE1 TYR A 51 -7.559 22.311 11.920 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.699 24.591 12.731 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.326 23.385 12.384 1.00 0.00 C ATOM 705 OH TYR A 51 -9.703 23.263 12.492 1.00 0.00 O ATOM 0 H TYR A 51 -2.701 25.059 13.808 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.959 22.335 13.552 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.758 24.819 11.894 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.719 23.277 11.062 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.580 21.617 11.434 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.825 25.653 12.889 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.037 21.379 11.656 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.291 25.421 13.088 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.921 22.673 13.243 1.00 0.00 H new ATOM 715 N VAL A 52 -1.655 21.446 13.292 1.00 0.00 N ATOM 716 CA VAL A 52 -0.319 20.833 13.044 1.00 0.00 C ATOM 717 C VAL A 52 -0.316 19.959 11.793 1.00 0.00 C ATOM 718 O VAL A 52 -1.332 19.729 11.176 1.00 0.00 O ATOM 719 CB VAL A 52 0.025 19.976 14.258 1.00 0.00 C ATOM 720 CG1 VAL A 52 1.515 19.629 14.253 1.00 0.00 C ATOM 721 CG2 VAL A 52 -0.327 20.757 15.525 1.00 0.00 C ATOM 0 H VAL A 52 -2.273 20.893 13.886 1.00 0.00 H new ATOM 0 HA VAL A 52 0.413 21.625 12.888 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.544 19.047 14.226 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.749 19.017 15.124 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.757 19.076 13.345 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.102 20.547 14.286 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.086 20.156 16.402 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.246 21.684 15.552 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.392 20.989 15.525 1.00 0.00 H new ATOM 731 N ASN A 53 0.842 19.472 11.423 1.00 0.00 N ATOM 732 CA ASN A 53 0.950 18.605 10.222 1.00 0.00 C ATOM 733 C ASN A 53 0.295 17.255 10.516 1.00 0.00 C ATOM 734 O ASN A 53 -0.274 17.047 11.567 1.00 0.00 O ATOM 735 CB ASN A 53 2.427 18.391 9.881 1.00 0.00 C ATOM 736 CG ASN A 53 2.703 18.900 8.465 1.00 0.00 C ATOM 737 OD1 ASN A 53 3.296 18.207 7.663 1.00 0.00 O ATOM 738 ND2 ASN A 53 2.296 20.092 8.123 1.00 0.00 N ATOM 0 H ASN A 53 1.722 19.643 11.910 1.00 0.00 H new ATOM 0 HA ASN A 53 0.448 19.080 9.379 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.057 18.918 10.598 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.678 17.333 9.954 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.476 20.442 7.182 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.798 20.674 8.797 1.00 0.00 H new ATOM 745 N GLU A 54 0.372 16.336 9.597 1.00 0.00 N ATOM 746 CA GLU A 54 -0.246 14.999 9.827 1.00 0.00 C ATOM 747 C GLU A 54 0.834 13.985 10.216 1.00 0.00 C ATOM 748 O GLU A 54 0.567 12.808 10.359 1.00 0.00 O ATOM 749 CB GLU A 54 -0.944 14.534 8.547 1.00 0.00 C ATOM 750 CG GLU A 54 0.037 14.609 7.375 1.00 0.00 C ATOM 751 CD GLU A 54 -0.579 13.932 6.149 1.00 0.00 C ATOM 752 OE1 GLU A 54 -1.213 12.904 6.321 1.00 0.00 O ATOM 753 OE2 GLU A 54 -0.406 14.453 5.059 1.00 0.00 O ATOM 0 H GLU A 54 0.836 16.451 8.696 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.974 15.075 10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.306 13.513 8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.814 15.159 8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.272 15.649 7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.975 14.121 7.640 1.00 0.00 H new ATOM 760 N ALA A 55 2.053 14.424 10.377 1.00 0.00 N ATOM 761 CA ALA A 55 3.141 13.470 10.743 1.00 0.00 C ATOM 762 C ALA A 55 3.607 13.723 12.180 1.00 0.00 C ATOM 763 O ALA A 55 4.123 12.839 12.835 1.00 0.00 O ATOM 764 CB ALA A 55 4.321 13.657 9.787 1.00 0.00 C ATOM 0 H ALA A 55 2.342 15.396 10.272 1.00 0.00 H new ATOM 0 HA ALA A 55 2.760 12.451 10.668 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.117 12.962 10.052 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.995 13.464 8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.692 14.679 9.862 1.00 0.00 H new ATOM 770 N PHE A 56 3.441 14.918 12.675 1.00 0.00 N ATOM 771 CA PHE A 56 3.889 15.211 14.068 1.00 0.00 C ATOM 772 C PHE A 56 2.692 15.161 15.019 1.00 0.00 C ATOM 773 O PHE A 56 2.846 15.059 16.220 1.00 0.00 O ATOM 774 CB PHE A 56 4.534 16.597 14.112 1.00 0.00 C ATOM 775 CG PHE A 56 5.784 16.584 13.265 1.00 0.00 C ATOM 776 CD1 PHE A 56 5.686 16.706 11.874 1.00 0.00 C ATOM 777 CD2 PHE A 56 7.041 16.444 13.868 1.00 0.00 C ATOM 778 CE1 PHE A 56 6.842 16.688 11.086 1.00 0.00 C ATOM 779 CE2 PHE A 56 8.197 16.427 13.079 1.00 0.00 C ATOM 780 CZ PHE A 56 8.097 16.549 11.688 1.00 0.00 C ATOM 0 H PHE A 56 3.017 15.702 12.179 1.00 0.00 H new ATOM 0 HA PHE A 56 4.618 14.464 14.380 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.837 17.349 13.743 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.778 16.866 15.140 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.717 16.814 11.409 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.118 16.349 14.941 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.765 16.781 10.013 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.166 16.320 13.543 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.989 16.536 11.079 1.00 0.00 H new ATOM 790 N THR A 57 1.499 15.228 14.494 1.00 0.00 N ATOM 791 CA THR A 57 0.295 15.179 15.372 1.00 0.00 C ATOM 792 C THR A 57 0.229 13.823 16.078 1.00 0.00 C ATOM 793 O THR A 57 -0.052 13.738 17.257 1.00 0.00 O ATOM 794 CB THR A 57 -0.964 15.364 14.522 1.00 0.00 C ATOM 795 OG1 THR A 57 -0.925 14.467 13.421 1.00 0.00 O ATOM 796 CG2 THR A 57 -1.029 16.801 14.008 1.00 0.00 C ATOM 0 H THR A 57 1.306 15.314 13.496 1.00 0.00 H new ATOM 0 HA THR A 57 0.358 15.975 16.114 1.00 0.00 H new ATOM 0 HB THR A 57 -1.846 15.158 15.129 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.731 14.583 12.876 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.926 16.931 13.403 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.059 17.489 14.853 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.148 17.010 13.401 1.00 0.00 H new ATOM 804 N ASP A 58 0.479 12.760 15.363 1.00 0.00 N ATOM 805 CA ASP A 58 0.422 11.407 15.986 1.00 0.00 C ATOM 806 C ASP A 58 1.357 11.351 17.197 1.00 0.00 C ATOM 807 O ASP A 58 0.965 10.958 18.277 1.00 0.00 O ATOM 808 CB ASP A 58 0.853 10.356 14.961 1.00 0.00 C ATOM 809 CG ASP A 58 0.026 9.084 15.155 1.00 0.00 C ATOM 810 OD1 ASP A 58 -0.409 8.848 16.270 1.00 0.00 O ATOM 811 OD2 ASP A 58 -0.158 8.367 14.185 1.00 0.00 O ATOM 0 H ASP A 58 0.721 12.770 14.372 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.598 11.205 16.312 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.716 10.741 13.950 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.914 10.134 15.076 1.00 0.00 H new ATOM 816 N LYS A 59 2.592 11.734 17.026 1.00 0.00 N ATOM 817 CA LYS A 59 3.548 11.694 18.168 1.00 0.00 C ATOM 818 C LYS A 59 2.924 12.381 19.385 1.00 0.00 C ATOM 819 O LYS A 59 3.035 11.910 20.499 1.00 0.00 O ATOM 820 CB LYS A 59 4.838 12.413 17.775 1.00 0.00 C ATOM 821 CG LYS A 59 5.650 11.520 16.835 1.00 0.00 C ATOM 822 CD LYS A 59 5.314 11.865 15.383 1.00 0.00 C ATOM 823 CE LYS A 59 4.677 10.652 14.703 1.00 0.00 C ATOM 824 NZ LYS A 59 5.630 10.083 13.708 1.00 0.00 N ATOM 0 H LYS A 59 2.980 12.073 16.146 1.00 0.00 H new ATOM 0 HA LYS A 59 3.773 10.657 18.418 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.606 13.359 17.286 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.422 12.649 18.665 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.716 11.659 17.015 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.428 10.471 17.031 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.631 12.714 15.349 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.218 12.161 14.850 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.419 9.899 15.447 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.750 10.944 14.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.197 9.258 13.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.855 10.803 12.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.503 9.790 14.191 1.00 0.00 H new ATOM 838 N VAL A 60 2.264 13.488 19.182 1.00 0.00 N ATOM 839 CA VAL A 60 1.631 14.197 20.330 1.00 0.00 C ATOM 840 C VAL A 60 0.719 13.218 21.080 1.00 0.00 C ATOM 841 O VAL A 60 0.077 12.387 20.469 1.00 0.00 O ATOM 842 CB VAL A 60 0.807 15.377 19.800 1.00 0.00 C ATOM 843 CG1 VAL A 60 -0.048 15.967 20.924 1.00 0.00 C ATOM 844 CG2 VAL A 60 1.753 16.454 19.266 1.00 0.00 C ATOM 0 H VAL A 60 2.136 13.932 18.273 1.00 0.00 H new ATOM 0 HA VAL A 60 2.397 14.570 21.009 1.00 0.00 H new ATOM 0 HB VAL A 60 0.154 15.027 19.001 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.629 16.804 20.538 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.724 15.202 21.307 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.599 16.315 21.729 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.171 17.295 18.888 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.405 16.796 20.069 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.358 16.040 18.459 1.00 0.00 H new ATOM 854 N PRO A 61 0.692 13.340 22.384 1.00 0.00 N ATOM 855 CA PRO A 61 -0.134 12.465 23.235 1.00 0.00 C ATOM 856 C PRO A 61 -1.602 12.522 22.799 1.00 0.00 C ATOM 857 O PRO A 61 -1.977 13.301 21.947 1.00 0.00 O ATOM 858 CB PRO A 61 0.039 13.021 24.655 1.00 0.00 C ATOM 859 CG PRO A 61 1.067 14.179 24.585 1.00 0.00 C ATOM 860 CD PRO A 61 1.473 14.356 23.114 1.00 0.00 C ATOM 0 HA PRO A 61 0.166 11.419 23.168 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -0.914 13.379 25.045 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.387 12.241 25.332 1.00 0.00 H new ATOM 0 HG2 PRO A 61 0.633 15.100 24.975 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.940 13.953 25.198 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.245 15.361 22.759 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.544 14.205 22.978 1.00 0.00 H new ATOM 868 N ALA A 62 -2.431 11.697 23.378 1.00 0.00 N ATOM 869 CA ALA A 62 -3.872 11.694 23.003 1.00 0.00 C ATOM 870 C ALA A 62 -4.699 12.240 24.165 1.00 0.00 C ATOM 871 O ALA A 62 -5.524 11.550 24.730 1.00 0.00 O ATOM 872 CB ALA A 62 -4.316 10.266 22.691 1.00 0.00 C ATOM 0 H ALA A 62 -2.170 11.023 24.097 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.020 12.320 22.123 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.371 10.265 22.417 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.725 9.874 21.863 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.169 9.639 23.570 1.00 0.00 H new ATOM 878 N ALA A 63 -4.476 13.472 24.523 1.00 0.00 N ATOM 879 CA ALA A 63 -5.237 14.085 25.653 1.00 0.00 C ATOM 880 C ALA A 63 -6.696 13.622 25.609 1.00 0.00 C ATOM 881 O ALA A 63 -7.367 13.740 24.603 1.00 0.00 O ATOM 882 CB ALA A 63 -5.184 15.609 25.534 1.00 0.00 C ATOM 0 H ALA A 63 -3.794 14.088 24.080 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.790 13.775 26.597 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.739 16.058 26.358 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.146 15.941 25.572 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.629 15.916 24.587 1.00 0.00 H new ATOM 888 N ASN A 64 -7.189 13.088 26.695 1.00 0.00 N ATOM 889 CA ASN A 64 -8.601 12.610 26.721 1.00 0.00 C ATOM 890 C ASN A 64 -9.534 13.715 26.222 1.00 0.00 C ATOM 891 O ASN A 64 -9.098 14.763 25.789 1.00 0.00 O ATOM 892 CB ASN A 64 -8.987 12.228 28.153 1.00 0.00 C ATOM 893 CG ASN A 64 -8.273 13.152 29.141 1.00 0.00 C ATOM 894 OD1 ASN A 64 -8.002 12.769 30.262 1.00 0.00 O ATOM 895 ND2 ASN A 64 -7.953 14.362 28.772 1.00 0.00 N ATOM 0 H ASN A 64 -6.673 12.962 27.566 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.694 11.739 26.072 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.067 12.305 28.282 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.716 11.191 28.349 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.476 14.985 29.424 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.180 14.685 27.831 1.00 0.00 H new ATOM 902 N GLU A 65 -10.818 13.486 26.281 1.00 0.00 N ATOM 903 CA GLU A 65 -11.785 14.518 25.811 1.00 0.00 C ATOM 904 C GLU A 65 -11.907 15.622 26.863 1.00 0.00 C ATOM 905 O GLU A 65 -12.495 16.658 26.624 1.00 0.00 O ATOM 906 CB GLU A 65 -13.154 13.869 25.594 1.00 0.00 C ATOM 907 CG GLU A 65 -14.107 14.885 24.960 1.00 0.00 C ATOM 908 CD GLU A 65 -14.247 14.591 23.466 1.00 0.00 C ATOM 909 OE1 GLU A 65 -13.615 13.654 23.005 1.00 0.00 O ATOM 910 OE2 GLU A 65 -14.984 15.307 22.808 1.00 0.00 O ATOM 0 H GLU A 65 -11.239 12.627 26.635 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.431 14.948 24.874 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.056 12.995 24.950 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.558 13.520 26.545 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -15.082 14.836 25.444 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -13.728 15.896 25.108 1.00 0.00 H new ATOM 917 N ARG A 66 -11.357 15.412 28.027 1.00 0.00 N ATOM 918 CA ARG A 66 -11.444 16.454 29.088 1.00 0.00 C ATOM 919 C ARG A 66 -10.810 17.749 28.579 1.00 0.00 C ATOM 920 O ARG A 66 -11.403 18.808 28.642 1.00 0.00 O ATOM 921 CB ARG A 66 -10.699 15.976 30.337 1.00 0.00 C ATOM 922 CG ARG A 66 -11.078 16.859 31.527 1.00 0.00 C ATOM 923 CD ARG A 66 -9.841 17.111 32.391 1.00 0.00 C ATOM 924 NE ARG A 66 -8.977 18.132 31.735 1.00 0.00 N ATOM 925 CZ ARG A 66 -8.028 18.722 32.412 1.00 0.00 C ATOM 926 NH1 ARG A 66 -7.832 18.420 33.668 1.00 0.00 N ATOM 927 NH2 ARG A 66 -7.275 19.616 31.833 1.00 0.00 N ATOM 0 H ARG A 66 -10.852 14.565 28.289 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.490 16.634 29.338 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.950 14.936 30.548 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.623 16.016 30.169 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.488 17.806 31.175 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -11.855 16.376 32.119 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.140 17.454 33.382 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.285 16.183 32.529 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.127 18.371 30.755 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.421 17.722 34.123 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.090 18.882 34.194 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.427 19.854 30.853 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.534 20.077 32.360 1.00 0.00 H new ATOM 941 N GLU A 67 -9.611 17.674 28.072 1.00 0.00 N ATOM 942 CA GLU A 67 -8.942 18.901 27.556 1.00 0.00 C ATOM 943 C GLU A 67 -9.599 19.323 26.240 1.00 0.00 C ATOM 944 O GLU A 67 -9.305 20.368 25.695 1.00 0.00 O ATOM 945 CB GLU A 67 -7.459 18.612 27.317 1.00 0.00 C ATOM 946 CG GLU A 67 -6.712 18.634 28.652 1.00 0.00 C ATOM 947 CD GLU A 67 -5.269 18.175 28.438 1.00 0.00 C ATOM 948 OE1 GLU A 67 -4.912 17.922 27.299 1.00 0.00 O ATOM 949 OE2 GLU A 67 -4.545 18.084 29.416 1.00 0.00 O ATOM 0 H GLU A 67 -9.065 16.816 27.993 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.041 19.704 28.286 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.340 17.640 26.838 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.037 19.355 26.640 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.726 19.640 29.072 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.209 17.982 29.370 1.00 0.00 H new ATOM 956 N ILE A 68 -10.487 18.517 25.722 1.00 0.00 N ATOM 957 CA ILE A 68 -11.160 18.873 24.442 1.00 0.00 C ATOM 958 C ILE A 68 -12.230 19.935 24.704 1.00 0.00 C ATOM 959 O ILE A 68 -12.438 20.828 23.907 1.00 0.00 O ATOM 960 CB ILE A 68 -11.813 17.626 23.843 1.00 0.00 C ATOM 961 CG1 ILE A 68 -10.725 16.650 23.389 1.00 0.00 C ATOM 962 CG2 ILE A 68 -12.671 18.026 22.642 1.00 0.00 C ATOM 963 CD1 ILE A 68 -11.358 15.523 22.571 1.00 0.00 C ATOM 0 H ILE A 68 -10.775 17.628 26.131 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.422 19.267 23.743 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.441 17.148 24.595 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.979 17.173 22.791 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.207 16.238 24.255 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.136 17.137 22.215 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.446 18.722 22.964 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.044 18.504 21.890 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.583 14.828 22.248 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -12.087 14.994 23.184 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -11.856 15.943 21.697 1.00 0.00 H new ATOM 975 N GLY A 69 -12.910 19.848 25.816 1.00 0.00 N ATOM 976 CA GLY A 69 -13.964 20.856 26.123 1.00 0.00 C ATOM 977 C GLY A 69 -13.385 22.262 25.966 1.00 0.00 C ATOM 978 O GLY A 69 -13.914 23.083 25.245 1.00 0.00 O ATOM 0 H GLY A 69 -12.781 19.124 26.523 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.814 20.724 25.454 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.333 20.714 27.139 1.00 0.00 H new ATOM 982 N MET A 70 -12.299 22.545 26.633 1.00 0.00 N ATOM 983 CA MET A 70 -11.686 23.896 26.511 1.00 0.00 C ATOM 984 C MET A 70 -11.121 24.054 25.101 1.00 0.00 C ATOM 985 O MET A 70 -11.025 25.145 24.575 1.00 0.00 O ATOM 986 CB MET A 70 -10.559 24.043 27.536 1.00 0.00 C ATOM 987 CG MET A 70 -9.613 22.845 27.429 1.00 0.00 C ATOM 988 SD MET A 70 -7.905 23.404 27.647 1.00 0.00 S ATOM 989 CE MET A 70 -7.389 22.110 28.802 1.00 0.00 C ATOM 0 H MET A 70 -11.812 21.900 27.255 1.00 0.00 H new ATOM 0 HA MET A 70 -12.438 24.663 26.697 1.00 0.00 H new ATOM 0 HB2 MET A 70 -10.012 24.969 27.360 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.974 24.104 28.542 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.863 22.102 28.186 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.728 22.363 26.458 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.362 22.293 29.118 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.043 22.118 29.674 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.451 21.139 28.311 1.00 0.00 H new ATOM 999 N LEU A 71 -10.758 22.965 24.481 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.210 23.041 23.099 1.00 0.00 C ATOM 1001 C LEU A 71 -11.369 23.095 22.102 1.00 0.00 C ATOM 1002 O LEU A 71 -11.179 23.013 20.905 1.00 0.00 O ATOM 1003 CB LEU A 71 -9.354 21.804 22.823 1.00 0.00 C ATOM 1004 CG LEU A 71 -8.967 21.766 21.345 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -7.509 21.326 21.213 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -9.867 20.770 20.610 1.00 0.00 C ATOM 0 H LEU A 71 -10.818 22.025 24.873 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.596 23.936 22.995 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.458 21.824 23.443 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.905 20.902 23.088 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.089 22.758 20.910 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.231 21.298 20.159 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.867 22.032 21.739 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.388 20.333 21.646 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.593 20.741 19.555 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.743 19.778 21.044 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.907 21.080 20.706 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.573 23.232 22.589 1.00 0.00 N ATOM 1019 CA GLU A 72 -13.748 23.294 21.679 1.00 0.00 C ATOM 1020 C GLU A 72 -14.177 24.754 21.504 1.00 0.00 C ATOM 1021 O GLU A 72 -14.994 25.075 20.664 1.00 0.00 O ATOM 1022 CB GLU A 72 -14.899 22.482 22.285 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.211 22.838 21.582 1.00 0.00 C ATOM 1024 CD GLU A 72 -16.105 22.494 20.096 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -15.231 23.040 19.442 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -16.899 21.689 19.636 1.00 0.00 O ATOM 0 H GLU A 72 -12.792 23.304 23.583 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.486 22.878 20.706 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.698 21.416 22.181 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.980 22.689 23.352 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -17.038 22.291 22.034 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.425 23.900 21.706 1.00 0.00 H new ATOM 1033 N CYS A 73 -13.635 25.642 22.295 1.00 0.00 N ATOM 1034 CA CYS A 73 -14.015 27.079 22.178 1.00 0.00 C ATOM 1035 C CYS A 73 -13.219 27.737 21.047 1.00 0.00 C ATOM 1036 O CYS A 73 -13.532 28.827 20.614 1.00 0.00 O ATOM 1037 CB CYS A 73 -13.713 27.794 23.496 1.00 0.00 C ATOM 1038 SG CYS A 73 -15.263 28.133 24.367 1.00 0.00 S ATOM 0 H CYS A 73 -12.945 25.433 23.017 1.00 0.00 H new ATOM 0 HA CYS A 73 -15.080 27.152 21.957 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -13.062 27.177 24.116 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -13.180 28.725 23.303 1.00 0.00 H new ATOM 0 HG CYS A 73 -15.007 28.739 25.488 1.00 0.00 H new ATOM 1044 N VAL A 74 -12.193 27.082 20.570 1.00 0.00 N ATOM 1045 CA VAL A 74 -11.367 27.661 19.466 1.00 0.00 C ATOM 1046 C VAL A 74 -12.277 28.349 18.446 1.00 0.00 C ATOM 1047 O VAL A 74 -13.322 27.844 18.089 1.00 0.00 O ATOM 1048 CB VAL A 74 -10.589 26.534 18.792 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -9.936 25.682 19.884 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -11.560 25.676 17.984 1.00 0.00 C ATOM 0 H VAL A 74 -11.889 26.166 20.899 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.672 28.398 19.869 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.825 26.938 18.127 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.374 24.869 19.424 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.261 26.302 20.474 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.708 25.268 20.533 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.014 24.868 17.498 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.314 25.256 18.649 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.046 26.291 17.227 1.00 0.00 H new ATOM 1060 N THR A 75 -11.888 29.502 17.977 1.00 0.00 N ATOM 1061 CA THR A 75 -12.730 30.222 16.985 1.00 0.00 C ATOM 1062 C THR A 75 -13.219 29.234 15.926 1.00 0.00 C ATOM 1063 O THR A 75 -14.236 29.439 15.294 1.00 0.00 O ATOM 1064 CB THR A 75 -11.904 31.322 16.314 1.00 0.00 C ATOM 1065 OG1 THR A 75 -11.142 32.006 17.299 1.00 0.00 O ATOM 1066 CG2 THR A 75 -12.837 32.309 15.612 1.00 0.00 C ATOM 0 H THR A 75 -11.023 29.976 18.239 1.00 0.00 H new ATOM 0 HA THR A 75 -13.586 30.670 17.490 1.00 0.00 H new ATOM 0 HB THR A 75 -11.234 30.876 15.579 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.596 31.945 18.165 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.247 33.091 15.135 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.421 31.783 14.856 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.510 32.757 16.343 1.00 0.00 H new ATOM 1074 N ALA A 76 -12.499 28.165 15.722 1.00 0.00 N ATOM 1075 CA ALA A 76 -12.922 27.172 14.700 1.00 0.00 C ATOM 1076 C ALA A 76 -13.230 25.825 15.367 1.00 0.00 C ATOM 1077 O ALA A 76 -13.655 25.758 16.502 1.00 0.00 O ATOM 1078 CB ALA A 76 -11.797 26.994 13.678 1.00 0.00 C ATOM 0 H ALA A 76 -11.638 27.938 16.219 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.822 27.530 14.201 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.101 26.267 12.925 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.589 27.949 13.196 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.899 26.639 14.184 1.00 0.00 H new ATOM 1084 N GLU A 77 -13.004 24.755 14.657 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.247 23.401 15.190 1.00 0.00 C ATOM 1086 C GLU A 77 -11.908 22.713 15.288 1.00 0.00 C ATOM 1087 O GLU A 77 -11.031 22.980 14.500 1.00 0.00 O ATOM 1088 CB GLU A 77 -14.113 22.616 14.219 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.894 23.122 12.789 1.00 0.00 C ATOM 1090 CD GLU A 77 -12.454 22.836 12.361 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -11.951 21.781 12.710 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -11.879 23.678 11.690 1.00 0.00 O ATOM 0 H GLU A 77 -12.650 24.772 13.701 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.746 23.458 16.157 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.870 21.555 14.279 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.163 22.718 14.492 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.591 22.633 12.108 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.095 24.192 12.736 1.00 0.00 H new ATOM 1099 N LEU A 78 -11.721 21.818 16.200 1.00 0.00 N ATOM 1100 CA LEU A 78 -10.397 21.164 16.244 1.00 0.00 C ATOM 1101 C LEU A 78 -10.457 19.760 15.670 1.00 0.00 C ATOM 1102 O LEU A 78 -11.291 18.947 16.016 1.00 0.00 O ATOM 1103 CB LEU A 78 -9.835 21.127 17.656 1.00 0.00 C ATOM 1104 CG LEU A 78 -8.317 21.109 17.522 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -7.688 22.162 18.431 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -7.785 19.725 17.892 1.00 0.00 C ATOM 0 H LEU A 78 -12.402 21.516 16.897 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.727 21.763 15.628 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.163 21.996 18.226 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.187 20.244 18.190 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.054 21.337 16.489 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.604 22.135 18.323 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.056 23.150 18.153 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.954 21.954 19.467 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.699 19.715 17.795 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.060 19.493 18.921 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.216 18.979 17.224 1.00 0.00 H new ATOM 1118 N LYS A 79 -9.544 19.492 14.790 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.458 18.164 14.142 1.00 0.00 C ATOM 1120 C LYS A 79 -8.276 17.413 14.769 1.00 0.00 C ATOM 1121 O LYS A 79 -7.471 18.008 15.455 1.00 0.00 O ATOM 1122 CB LYS A 79 -9.239 18.383 12.640 1.00 0.00 C ATOM 1123 CG LYS A 79 -10.587 18.347 11.915 1.00 0.00 C ATOM 1124 CD LYS A 79 -10.879 16.924 11.435 1.00 0.00 C ATOM 1125 CE LYS A 79 -12.030 16.951 10.427 1.00 0.00 C ATOM 1126 NZ LYS A 79 -11.584 16.331 9.148 1.00 0.00 N ATOM 0 H LYS A 79 -8.834 20.157 14.485 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.367 17.579 14.283 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.748 19.341 12.469 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.580 17.612 12.242 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.379 18.685 12.583 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.572 19.031 11.067 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.989 16.494 10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.138 16.289 12.282 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.889 16.411 10.825 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.351 17.978 10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.366 16.349 8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.777 16.864 8.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.298 15.346 9.321 1.00 0.00 H new ATOM 1140 N PRO A 80 -8.209 16.133 14.533 1.00 0.00 N ATOM 1141 CA PRO A 80 -7.133 15.294 15.087 1.00 0.00 C ATOM 1142 C PRO A 80 -5.772 15.885 14.723 1.00 0.00 C ATOM 1143 O PRO A 80 -4.789 15.690 15.409 1.00 0.00 O ATOM 1144 CB PRO A 80 -7.337 13.920 14.434 1.00 0.00 C ATOM 1145 CG PRO A 80 -8.626 13.998 13.572 1.00 0.00 C ATOM 1146 CD PRO A 80 -9.182 15.427 13.693 1.00 0.00 C ATOM 0 HA PRO A 80 -7.162 15.230 16.175 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.478 13.658 13.816 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.431 13.145 15.194 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.405 13.760 12.531 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.361 13.271 13.916 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -9.278 15.899 12.715 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -10.173 15.430 14.147 1.00 0.00 H new ATOM 1154 N ASN A 81 -5.717 16.608 13.645 1.00 0.00 N ATOM 1155 CA ASN A 81 -4.434 17.227 13.213 1.00 0.00 C ATOM 1156 C ASN A 81 -4.109 18.440 14.096 1.00 0.00 C ATOM 1157 O ASN A 81 -2.962 18.713 14.388 1.00 0.00 O ATOM 1158 CB ASN A 81 -4.566 17.677 11.759 1.00 0.00 C ATOM 1159 CG ASN A 81 -3.361 17.182 10.962 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -3.010 16.021 11.022 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -2.710 18.024 10.212 1.00 0.00 N ATOM 0 H ASN A 81 -6.513 16.800 13.037 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.630 16.497 13.307 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.487 17.285 11.328 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.628 18.764 11.708 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.903 17.709 9.673 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.007 18.999 10.163 1.00 0.00 H new ATOM 1168 N SER A 82 -5.105 19.173 14.521 1.00 0.00 N ATOM 1169 CA SER A 82 -4.838 20.367 15.381 1.00 0.00 C ATOM 1170 C SER A 82 -4.779 19.936 16.848 1.00 0.00 C ATOM 1171 O SER A 82 -5.196 18.850 17.198 1.00 0.00 O ATOM 1172 CB SER A 82 -5.960 21.387 15.213 1.00 0.00 C ATOM 1173 OG SER A 82 -6.986 20.824 14.421 1.00 0.00 O ATOM 0 H SER A 82 -6.088 18.999 14.312 1.00 0.00 H new ATOM 0 HA SER A 82 -3.889 20.813 15.084 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.354 21.676 16.187 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.577 22.293 14.743 1.00 0.00 H new ATOM 0 HG SER A 82 -6.909 21.156 13.502 1.00 0.00 H new ATOM 1179 N ARG A 83 -4.275 20.776 17.713 1.00 0.00 N ATOM 1180 CA ARG A 83 -4.212 20.397 19.151 1.00 0.00 C ATOM 1181 C ARG A 83 -4.012 21.651 19.999 1.00 0.00 C ATOM 1182 O ARG A 83 -4.227 22.759 19.550 1.00 0.00 O ATOM 1183 CB ARG A 83 -3.048 19.432 19.377 1.00 0.00 C ATOM 1184 CG ARG A 83 -3.594 18.061 19.781 1.00 0.00 C ATOM 1185 CD ARG A 83 -4.546 18.221 20.966 1.00 0.00 C ATOM 1186 NE ARG A 83 -3.946 17.583 22.179 1.00 0.00 N ATOM 1187 CZ ARG A 83 -3.466 16.367 22.137 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -3.667 15.606 21.093 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -2.829 15.889 23.171 1.00 0.00 N ATOM 0 H ARG A 83 -3.908 21.700 17.487 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.143 19.910 19.439 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.452 19.345 18.468 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.389 19.816 20.155 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.116 17.603 18.941 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.773 17.395 20.047 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.735 19.278 21.154 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.508 17.761 20.738 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.911 18.106 23.054 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.203 15.959 20.300 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.288 14.659 21.071 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.708 16.463 24.005 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.452 14.941 23.145 1.00 0.00 H new ATOM 1203 N LEU A 84 -3.587 21.484 21.219 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.356 22.664 22.095 1.00 0.00 C ATOM 1205 C LEU A 84 -1.867 23.007 22.072 1.00 0.00 C ATOM 1206 O LEU A 84 -1.054 22.297 22.619 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.783 22.329 23.526 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.203 21.765 23.516 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.291 20.583 24.483 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -6.187 22.853 23.951 1.00 0.00 C ATOM 0 H LEU A 84 -3.389 20.580 21.648 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.938 23.513 21.738 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.096 21.604 23.962 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.740 23.223 24.148 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.452 21.430 22.509 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.304 20.181 24.475 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.591 19.807 24.174 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.041 20.917 25.490 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.200 22.451 23.944 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.937 23.189 24.957 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.126 23.695 23.262 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.501 24.084 21.437 1.00 0.00 N ATOM 1223 CA CYS A 85 -0.058 24.461 21.377 1.00 0.00 C ATOM 1224 C CYS A 85 0.595 24.259 22.749 1.00 0.00 C ATOM 1225 O CYS A 85 1.790 24.070 22.854 1.00 0.00 O ATOM 1226 CB CYS A 85 0.066 25.930 20.968 1.00 0.00 C ATOM 1227 SG CYS A 85 1.791 26.457 21.126 1.00 0.00 S ATOM 0 H CYS A 85 -2.137 24.721 20.956 1.00 0.00 H new ATOM 0 HA CYS A 85 0.446 23.830 20.645 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.273 26.062 19.941 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -0.574 26.549 21.597 1.00 0.00 H new ATOM 0 HG CYS A 85 2.468 25.544 21.757 1.00 0.00 H new ATOM 1233 N CYS A 86 -0.175 24.311 23.802 1.00 0.00 N ATOM 1234 CA CYS A 86 0.407 24.136 25.163 1.00 0.00 C ATOM 1235 C CYS A 86 0.563 22.647 25.496 1.00 0.00 C ATOM 1236 O CYS A 86 1.526 22.241 26.115 1.00 0.00 O ATOM 1237 CB CYS A 86 -0.524 24.779 26.191 1.00 0.00 C ATOM 1238 SG CYS A 86 -2.128 23.941 26.152 1.00 0.00 S ATOM 0 H CYS A 86 -1.183 24.467 23.778 1.00 0.00 H new ATOM 0 HA CYS A 86 1.389 24.609 25.189 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.088 24.709 27.188 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.649 25.839 25.972 1.00 0.00 H new ATOM 1243 N GLN A 87 -0.386 21.834 25.118 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.297 20.381 25.447 1.00 0.00 C ATOM 1245 C GLN A 87 0.452 19.609 24.352 1.00 0.00 C ATOM 1246 O GLN A 87 0.246 18.425 24.176 1.00 0.00 O ATOM 1247 CB GLN A 87 -1.709 19.810 25.588 1.00 0.00 C ATOM 1248 CG GLN A 87 -1.851 19.128 26.950 1.00 0.00 C ATOM 1249 CD GLN A 87 -0.996 17.859 26.977 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -1.096 17.027 26.097 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -0.155 17.675 27.957 1.00 0.00 N ATOM 0 H GLN A 87 -1.218 22.112 24.597 1.00 0.00 H new ATOM 0 HA GLN A 87 0.253 20.273 26.382 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.446 20.607 25.490 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.905 19.095 24.789 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.538 19.807 27.743 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.896 18.879 27.137 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.071 18.374 28.695 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.419 16.832 27.985 1.00 0.00 H new ATOM 1260 N ILE A 88 1.335 20.246 23.630 1.00 0.00 N ATOM 1261 CA ILE A 88 2.095 19.503 22.579 1.00 0.00 C ATOM 1262 C ILE A 88 3.527 19.297 23.058 1.00 0.00 C ATOM 1263 O ILE A 88 4.067 20.098 23.795 1.00 0.00 O ATOM 1264 CB ILE A 88 2.129 20.283 21.265 1.00 0.00 C ATOM 1265 CG1 ILE A 88 0.953 21.257 21.203 1.00 0.00 C ATOM 1266 CG2 ILE A 88 2.042 19.305 20.091 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -0.343 20.473 20.988 1.00 0.00 C ATOM 0 H ILE A 88 1.562 21.236 23.719 1.00 0.00 H new ATOM 0 HA ILE A 88 1.599 18.548 22.406 1.00 0.00 H new ATOM 0 HB ILE A 88 3.061 20.845 21.208 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.894 21.833 22.127 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.099 21.970 20.392 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.066 19.860 19.153 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.886 18.617 20.127 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.111 18.741 20.155 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.184 21.165 20.943 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.281 19.917 20.053 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.489 19.778 21.815 1.00 0.00 H new ATOM 1279 N ILE A 89 4.148 18.231 22.649 1.00 0.00 N ATOM 1280 CA ILE A 89 5.536 17.972 23.081 1.00 0.00 C ATOM 1281 C ILE A 89 6.418 17.696 21.863 1.00 0.00 C ATOM 1282 O ILE A 89 5.940 17.374 20.793 1.00 0.00 O ATOM 1283 CB ILE A 89 5.551 16.759 23.997 1.00 0.00 C ATOM 1284 CG1 ILE A 89 4.698 17.039 25.236 1.00 0.00 C ATOM 1285 CG2 ILE A 89 6.985 16.486 24.415 1.00 0.00 C ATOM 1286 CD1 ILE A 89 5.117 18.374 25.853 1.00 0.00 C ATOM 0 H ILE A 89 3.748 17.526 22.030 1.00 0.00 H new ATOM 0 HA ILE A 89 5.920 18.845 23.610 1.00 0.00 H new ATOM 0 HB ILE A 89 5.143 15.893 23.475 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.643 17.067 24.965 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.819 16.236 25.963 1.00 0.00 H new ATOM 0 HG21 ILE A 89 7.013 15.618 25.073 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.591 16.290 23.530 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.382 17.354 24.942 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.509 18.574 26.736 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.168 18.329 26.139 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.973 19.172 25.125 1.00 0.00 H new ATOM 1298 N MET A 90 7.707 17.813 22.025 1.00 0.00 N ATOM 1299 CA MET A 90 8.633 17.553 20.891 1.00 0.00 C ATOM 1300 C MET A 90 9.733 16.599 21.352 1.00 0.00 C ATOM 1301 O MET A 90 10.722 17.004 21.930 1.00 0.00 O ATOM 1302 CB MET A 90 9.259 18.865 20.428 1.00 0.00 C ATOM 1303 CG MET A 90 10.420 18.574 19.474 1.00 0.00 C ATOM 1304 SD MET A 90 9.877 17.412 18.196 1.00 0.00 S ATOM 1305 CE MET A 90 10.692 18.216 16.796 1.00 0.00 C ATOM 0 H MET A 90 8.159 18.079 22.900 1.00 0.00 H new ATOM 0 HA MET A 90 8.081 17.107 20.064 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.510 19.480 19.928 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.615 19.432 21.288 1.00 0.00 H new ATOM 0 HG2 MET A 90 10.768 19.499 19.015 1.00 0.00 H new ATOM 0 HG3 MET A 90 11.262 18.156 20.026 1.00 0.00 H new ATOM 0 HE1 MET A 90 10.638 17.567 15.922 1.00 0.00 H new ATOM 0 HE2 MET A 90 10.193 19.160 16.578 1.00 0.00 H new ATOM 0 HE3 MET A 90 11.737 18.406 17.043 1.00 0.00 H new ATOM 1315 N THR A 91 9.562 15.336 21.101 1.00 0.00 N ATOM 1316 CA THR A 91 10.590 14.344 21.524 1.00 0.00 C ATOM 1317 C THR A 91 11.719 14.302 20.490 1.00 0.00 C ATOM 1318 O THR A 91 11.567 14.793 19.390 1.00 0.00 O ATOM 1319 CB THR A 91 9.947 12.959 21.633 1.00 0.00 C ATOM 1320 OG1 THR A 91 8.707 12.959 20.940 1.00 0.00 O ATOM 1321 CG2 THR A 91 9.711 12.618 23.105 1.00 0.00 C ATOM 0 H THR A 91 8.753 14.943 20.620 1.00 0.00 H new ATOM 0 HA THR A 91 10.997 14.635 22.493 1.00 0.00 H new ATOM 0 HB THR A 91 10.610 12.215 21.192 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.295 12.073 21.007 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.253 11.632 23.181 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.663 12.618 23.636 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.048 13.361 23.549 1.00 0.00 H new ATOM 1329 N PRO A 92 12.821 13.712 20.879 1.00 0.00 N ATOM 1330 CA PRO A 92 13.997 13.590 20.000 1.00 0.00 C ATOM 1331 C PRO A 92 13.636 12.786 18.749 1.00 0.00 C ATOM 1332 O PRO A 92 14.210 12.970 17.694 1.00 0.00 O ATOM 1333 CB PRO A 92 15.042 12.844 20.842 1.00 0.00 C ATOM 1334 CG PRO A 92 14.417 12.570 22.235 1.00 0.00 C ATOM 1335 CD PRO A 92 12.983 13.122 22.220 1.00 0.00 C ATOM 0 HA PRO A 92 14.365 14.557 19.659 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.325 11.909 20.359 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.950 13.439 20.940 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.413 11.501 22.449 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.003 13.050 23.018 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.253 12.332 22.395 1.00 0.00 H new ATOM 0 HD3 PRO A 92 12.838 13.869 23.001 1.00 0.00 H new ATOM 1343 N GLU A 93 12.686 11.898 18.858 1.00 0.00 N ATOM 1344 CA GLU A 93 12.286 11.087 17.675 1.00 0.00 C ATOM 1345 C GLU A 93 11.645 12.000 16.629 1.00 0.00 C ATOM 1346 O GLU A 93 11.841 11.834 15.441 1.00 0.00 O ATOM 1347 CB GLU A 93 11.279 10.018 18.105 1.00 0.00 C ATOM 1348 CG GLU A 93 11.898 9.142 19.196 1.00 0.00 C ATOM 1349 CD GLU A 93 10.865 8.891 20.296 1.00 0.00 C ATOM 1350 OE1 GLU A 93 10.225 9.843 20.709 1.00 0.00 O ATOM 1351 OE2 GLU A 93 10.732 7.750 20.707 1.00 0.00 O ATOM 0 H GLU A 93 12.170 11.700 19.715 1.00 0.00 H new ATOM 0 HA GLU A 93 13.166 10.605 17.249 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.369 10.489 18.475 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.996 9.405 17.249 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.230 8.195 18.772 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.778 9.631 19.614 1.00 0.00 H new ATOM 1358 N LEU A 94 10.883 12.967 17.061 1.00 0.00 N ATOM 1359 CA LEU A 94 10.232 13.893 16.092 1.00 0.00 C ATOM 1360 C LEU A 94 11.261 14.905 15.587 1.00 0.00 C ATOM 1361 O LEU A 94 12.128 15.342 16.319 1.00 0.00 O ATOM 1362 CB LEU A 94 9.088 14.633 16.788 1.00 0.00 C ATOM 1363 CG LEU A 94 7.909 13.681 16.988 1.00 0.00 C ATOM 1364 CD1 LEU A 94 7.974 13.079 18.393 1.00 0.00 C ATOM 1365 CD2 LEU A 94 6.598 14.452 16.825 1.00 0.00 C ATOM 0 H LEU A 94 10.683 13.156 18.043 1.00 0.00 H new ATOM 0 HA LEU A 94 9.839 13.324 15.250 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.424 15.020 17.750 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.779 15.490 16.190 1.00 0.00 H new ATOM 0 HG LEU A 94 7.956 12.883 16.247 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.134 12.400 18.537 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.908 12.530 18.511 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.926 13.877 19.134 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.757 13.774 16.967 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.550 15.250 17.566 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.551 14.883 15.825 1.00 0.00 H new ATOM 1377 N ASP A 95 11.176 15.283 14.341 1.00 0.00 N ATOM 1378 CA ASP A 95 12.152 16.267 13.793 1.00 0.00 C ATOM 1379 C ASP A 95 11.494 17.068 12.668 1.00 0.00 C ATOM 1380 O ASP A 95 10.995 16.514 11.709 1.00 0.00 O ATOM 1381 CB ASP A 95 13.372 15.524 13.245 1.00 0.00 C ATOM 1382 CG ASP A 95 12.914 14.264 12.508 1.00 0.00 C ATOM 1383 OD1 ASP A 95 12.434 14.394 11.394 1.00 0.00 O ATOM 1384 OD2 ASP A 95 13.051 13.190 13.071 1.00 0.00 O ATOM 0 H ASP A 95 10.473 14.953 13.679 1.00 0.00 H new ATOM 0 HA ASP A 95 12.466 16.946 14.585 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.931 16.171 12.569 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.045 15.257 14.060 1.00 0.00 H new ATOM 1389 N GLY A 96 11.491 18.369 12.776 1.00 0.00 N ATOM 1390 CA GLY A 96 10.866 19.203 11.711 1.00 0.00 C ATOM 1391 C GLY A 96 9.345 19.152 11.850 1.00 0.00 C ATOM 1392 O GLY A 96 8.633 18.928 10.891 1.00 0.00 O ATOM 0 H GLY A 96 11.894 18.890 13.555 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.215 20.233 11.789 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.164 18.839 10.728 1.00 0.00 H new ATOM 1396 N ILE A 97 8.837 19.366 13.034 1.00 0.00 N ATOM 1397 CA ILE A 97 7.358 19.332 13.220 1.00 0.00 C ATOM 1398 C ILE A 97 6.770 20.640 12.686 1.00 0.00 C ATOM 1399 O ILE A 97 7.384 21.685 12.779 1.00 0.00 O ATOM 1400 CB ILE A 97 7.011 19.144 14.716 1.00 0.00 C ATOM 1401 CG1 ILE A 97 6.728 20.496 15.386 1.00 0.00 C ATOM 1402 CG2 ILE A 97 8.180 18.475 15.441 1.00 0.00 C ATOM 1403 CD1 ILE A 97 5.234 20.812 15.287 1.00 0.00 C ATOM 0 H ILE A 97 9.379 19.562 13.876 1.00 0.00 H new ATOM 0 HA ILE A 97 6.932 18.492 12.672 1.00 0.00 H new ATOM 0 HB ILE A 97 6.120 18.519 14.779 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.036 20.467 16.431 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.309 21.282 14.904 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.929 18.346 16.494 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.377 17.501 14.993 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.068 19.101 15.354 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.033 21.772 15.763 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.941 20.858 14.238 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.663 20.031 15.789 1.00 0.00 H new ATOM 1415 N VAL A 98 5.595 20.603 12.123 1.00 0.00 N ATOM 1416 CA VAL A 98 5.008 21.859 11.592 1.00 0.00 C ATOM 1417 C VAL A 98 3.695 22.163 12.311 1.00 0.00 C ATOM 1418 O VAL A 98 2.714 21.463 12.163 1.00 0.00 O ATOM 1419 CB VAL A 98 4.745 21.706 10.094 1.00 0.00 C ATOM 1420 CG1 VAL A 98 4.759 23.083 9.428 1.00 0.00 C ATOM 1421 CG2 VAL A 98 5.836 20.829 9.473 1.00 0.00 C ATOM 0 H VAL A 98 5.023 19.766 12.009 1.00 0.00 H new ATOM 0 HA VAL A 98 5.706 22.679 11.758 1.00 0.00 H new ATOM 0 HB VAL A 98 3.771 21.240 9.942 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.571 22.973 8.360 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.984 23.709 9.870 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.732 23.550 9.579 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.650 20.719 8.405 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.809 21.296 9.626 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.827 19.847 9.946 1.00 0.00 H new ATOM 1431 N VAL A 99 3.668 23.218 13.072 1.00 0.00 N ATOM 1432 CA VAL A 99 2.425 23.598 13.787 1.00 0.00 C ATOM 1433 C VAL A 99 1.844 24.822 13.089 1.00 0.00 C ATOM 1434 O VAL A 99 2.566 25.665 12.600 1.00 0.00 O ATOM 1435 CB VAL A 99 2.723 23.930 15.257 1.00 0.00 C ATOM 1436 CG1 VAL A 99 2.343 22.735 16.133 1.00 0.00 C ATOM 1437 CG2 VAL A 99 4.212 24.235 15.441 1.00 0.00 C ATOM 0 H VAL A 99 4.462 23.838 13.230 1.00 0.00 H new ATOM 0 HA VAL A 99 1.718 22.769 13.769 1.00 0.00 H new ATOM 0 HB VAL A 99 2.142 24.805 15.547 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.553 22.968 17.177 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.281 22.521 16.016 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.924 21.863 15.831 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.409 24.469 16.487 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.801 23.366 15.146 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.488 25.088 14.821 1.00 0.00 H new ATOM 1447 N ASP A 100 0.552 24.926 13.024 1.00 0.00 N ATOM 1448 CA ASP A 100 -0.053 26.098 12.341 1.00 0.00 C ATOM 1449 C ASP A 100 -0.964 26.838 13.311 1.00 0.00 C ATOM 1450 O ASP A 100 -1.196 26.402 14.422 1.00 0.00 O ATOM 1451 CB ASP A 100 -0.867 25.629 11.133 1.00 0.00 C ATOM 1452 CG ASP A 100 -0.032 24.655 10.301 1.00 0.00 C ATOM 1453 OD1 ASP A 100 1.178 24.659 10.457 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -0.616 23.921 9.521 1.00 0.00 O ATOM 0 H ASP A 100 -0.110 24.254 13.412 1.00 0.00 H new ATOM 0 HA ASP A 100 0.739 26.766 12.004 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.785 25.145 11.466 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -1.160 26.485 10.525 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.478 27.956 12.901 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.380 28.731 13.808 1.00 0.00 C ATOM 1461 C VAL A 101 -3.834 28.537 13.369 1.00 0.00 C ATOM 1462 O VAL A 101 -4.113 28.385 12.196 1.00 0.00 O ATOM 1463 CB VAL A 101 -1.995 30.228 13.770 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -3.132 31.126 14.280 1.00 0.00 C ATOM 1465 CG2 VAL A 101 -0.760 30.449 14.647 1.00 0.00 C ATOM 0 H VAL A 101 -1.319 28.372 11.983 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.271 28.371 14.831 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.791 30.495 12.733 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.819 32.169 14.236 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.015 30.985 13.656 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.370 30.862 15.310 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.482 31.503 14.625 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.984 30.154 15.672 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.067 29.848 14.269 1.00 0.00 H new ATOM 1475 N PRO A 102 -4.720 28.552 14.337 1.00 0.00 N ATOM 1476 CA PRO A 102 -6.161 28.385 14.090 1.00 0.00 C ATOM 1477 C PRO A 102 -6.630 29.381 13.027 1.00 0.00 C ATOM 1478 O PRO A 102 -5.956 30.349 12.738 1.00 0.00 O ATOM 1479 CB PRO A 102 -6.820 28.683 15.431 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.697 28.730 16.494 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.358 28.744 15.753 1.00 0.00 C ATOM 0 HA PRO A 102 -6.410 27.389 13.723 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.354 29.632 15.394 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.552 27.914 15.679 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.798 29.617 17.119 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.760 27.866 17.155 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.830 29.686 15.904 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.700 27.950 16.106 1.00 0.00 H new ATOM 1489 N ASP A 103 -7.778 29.166 12.450 1.00 0.00 N ATOM 1490 CA ASP A 103 -8.269 30.123 11.420 1.00 0.00 C ATOM 1491 C ASP A 103 -8.359 31.511 12.044 1.00 0.00 C ATOM 1492 O ASP A 103 -8.244 32.520 11.377 1.00 0.00 O ATOM 1493 CB ASP A 103 -9.651 29.691 10.932 1.00 0.00 C ATOM 1494 CG ASP A 103 -9.506 28.840 9.669 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -8.631 29.141 8.873 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -10.271 27.902 9.519 1.00 0.00 O ATOM 0 H ASP A 103 -8.394 28.376 12.644 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.583 30.139 10.573 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.161 29.122 11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.265 30.567 10.724 1.00 0.00 H new ATOM 1501 N ARG A 104 -8.558 31.557 13.325 1.00 0.00 N ATOM 1502 CA ARG A 104 -8.653 32.865 14.029 1.00 0.00 C ATOM 1503 C ARG A 104 -7.734 32.845 15.253 1.00 0.00 C ATOM 1504 O ARG A 104 -6.861 32.008 15.370 1.00 0.00 O ATOM 1505 CB ARG A 104 -10.098 33.099 14.476 1.00 0.00 C ATOM 1506 CG ARG A 104 -10.724 34.201 13.620 1.00 0.00 C ATOM 1507 CD ARG A 104 -11.724 33.584 12.641 1.00 0.00 C ATOM 1508 NE ARG A 104 -11.023 33.233 11.372 1.00 0.00 N ATOM 1509 CZ ARG A 104 -11.602 32.458 10.494 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -12.798 31.985 10.724 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -10.985 32.156 9.385 1.00 0.00 N ATOM 0 H ARG A 104 -8.660 30.738 13.924 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.349 33.668 13.357 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.673 32.178 14.380 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.123 33.382 15.528 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.225 34.930 14.257 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.948 34.736 13.073 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.176 32.693 13.078 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.533 34.286 12.440 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.089 33.599 11.189 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.282 32.221 11.591 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -13.248 31.380 10.037 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.051 32.525 9.204 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.436 31.551 8.699 1.00 0.00 H new ATOM 1525 N GLN A 105 -7.924 33.756 16.167 1.00 0.00 N ATOM 1526 CA GLN A 105 -7.060 33.781 17.382 1.00 0.00 C ATOM 1527 C GLN A 105 -7.835 34.398 18.549 1.00 0.00 C ATOM 1528 O GLN A 105 -7.256 34.904 19.490 1.00 0.00 O ATOM 1529 CB GLN A 105 -5.810 34.618 17.101 1.00 0.00 C ATOM 1530 CG GLN A 105 -6.189 35.833 16.252 1.00 0.00 C ATOM 1531 CD GLN A 105 -5.600 37.098 16.880 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -4.406 37.188 17.086 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -6.393 38.085 17.194 1.00 0.00 N ATOM 0 H GLN A 105 -8.638 34.483 16.126 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.767 32.763 17.639 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -5.359 34.943 18.039 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -5.065 34.016 16.581 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.815 35.711 15.236 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.274 35.919 16.184 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.395 38.009 17.021 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.011 38.933 17.613 1.00 0.00 H new ATOM 1542 N TRP A 106 -9.139 34.358 18.496 1.00 0.00 N ATOM 1543 CA TRP A 106 -9.952 34.941 19.601 1.00 0.00 C ATOM 1544 C TRP A 106 -9.350 36.281 20.031 1.00 0.00 C ATOM 1545 O TRP A 106 -9.667 37.278 19.404 1.00 0.00 O ATOM 1546 CB TRP A 106 -9.959 33.978 20.791 1.00 0.00 C ATOM 1547 CG TRP A 106 -10.919 32.864 20.522 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -10.596 31.551 20.493 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -12.347 32.941 20.243 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -11.734 30.816 20.214 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -12.840 31.628 20.052 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -13.253 34.012 20.139 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -14.185 31.387 19.766 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -14.607 33.772 19.853 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -15.071 32.463 19.667 1.00 0.00 C ATOM 1556 OXT TRP A 106 -8.583 36.286 20.979 1.00 0.00 O ATOM 0 H TRP A 106 -9.677 33.946 17.734 1.00 0.00 H new ATOM 0 HA TRP A 106 -10.973 35.099 19.254 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -8.958 33.579 20.956 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -10.245 34.508 21.700 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -9.610 31.143 20.660 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -11.754 29.799 20.137 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -12.905 35.025 20.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -14.538 30.377 19.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -15.295 34.601 19.776 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -16.113 32.286 19.447 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -4.789 27.091 26.899 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -3.634 25.289 25.288 1.00 0.00 FE HETATM 1570 S1 FES A 107 -5.420 25.012 26.544 1.00 0.00 S HETATM 1571 S2 FES A 107 -2.910 27.308 25.778 1.00 0.00 S