USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 631 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 57 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.1) USER MOD Set 1.2: A 60 GLN : amide:sc= 0 K(o=1.2,f=-0.13) USER MOD Single : A 2 SER OG : rot -57:sc= 0.839 USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= 0.767 (180deg=0.763) USER MOD Single : A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.166 X(o=0.17,f=-0.12) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -99:sc= 1.22 USER MOD Single : A 23 THR OG1 : rot -100:sc= 0.00443 USER MOD Single : A 24 GLN : amide:sc= -0.0171 K(o=-0.017,f=-1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 158:sc= -0.0312 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -139:sc= 1.76 (180deg=1.14) USER MOD Single : A 38 ASN : amide:sc= -0.641 K(o=-0.64,f=-3.4!) USER MOD Single : A 43 SER OG : rot -92:sc= 0.843 USER MOD Single : A 54 GLN : amide:sc= 0.00484 X(o=0.0048,f=0) USER MOD Single : A 59 MET CE :methyl -179:sc= 0 (180deg=-0.00168) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -0.133 F(o=-0.94,f=-0.13) USER MOD Single : A 81 HIS : no HE2:sc= -0.283 K(o=-0.28,f=-2.4) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 80:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 5.089 18.678 0.353 1.00 0.00 N ATOM 21 CA SER A 2 5.771 17.768 1.266 1.00 0.00 C ATOM 22 C SER A 2 5.304 16.337 1.009 1.00 0.00 C ATOM 23 O SER A 2 6.107 15.474 0.659 1.00 0.00 O ATOM 24 CB SER A 2 5.498 18.217 2.709 1.00 0.00 C ATOM 25 OG SER A 2 6.261 17.466 3.631 1.00 0.00 O ATOM 0 HA SER A 2 6.848 17.791 1.101 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.735 19.276 2.814 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.437 18.104 2.933 1.00 0.00 H new ATOM 0 HG SER A 2 6.063 16.513 3.520 1.00 0.00 H new ATOM 31 N LYS A 3 3.999 16.092 1.185 1.00 0.00 N ATOM 32 CA LYS A 3 3.420 14.762 1.122 1.00 0.00 C ATOM 33 C LYS A 3 3.399 14.256 -0.314 1.00 0.00 C ATOM 34 O LYS A 3 2.587 14.681 -1.135 1.00 0.00 O ATOM 35 CB LYS A 3 2.019 14.751 1.728 1.00 0.00 C ATOM 36 CG LYS A 3 2.081 14.619 3.252 1.00 0.00 C ATOM 37 CD LYS A 3 2.748 15.822 3.930 1.00 0.00 C ATOM 38 CE LYS A 3 2.419 15.886 5.425 1.00 0.00 C ATOM 39 NZ LYS A 3 1.018 16.282 5.662 1.00 0.00 N ATOM 0 H LYS A 3 3.316 16.825 1.377 1.00 0.00 H new ATOM 0 HA LYS A 3 4.043 14.088 1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.496 15.669 1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.445 13.924 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.070 14.503 3.643 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.629 13.713 3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.828 15.761 3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.419 16.741 3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.603 14.913 5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.085 16.597 5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.820 16.265 6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.862 17.243 5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.382 15.618 5.175 1.00 0.00 H new ATOM 53 N VAL A 4 4.313 13.325 -0.577 1.00 0.00 N ATOM 54 CA VAL A 4 4.555 12.718 -1.875 1.00 0.00 C ATOM 55 C VAL A 4 3.825 11.388 -1.870 1.00 0.00 C ATOM 56 O VAL A 4 4.415 10.331 -1.656 1.00 0.00 O ATOM 57 CB VAL A 4 6.070 12.637 -2.168 1.00 0.00 C ATOM 58 CG1 VAL A 4 6.925 12.022 -1.051 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.349 11.924 -3.502 1.00 0.00 C ATOM 0 H VAL A 4 4.932 12.959 0.146 1.00 0.00 H new ATOM 0 HA VAL A 4 4.167 13.315 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 4 6.381 13.680 -2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.971 12.012 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.818 12.615 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.594 11.002 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.424 11.885 -3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.951 10.910 -3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.870 12.471 -4.314 1.00 0.00 H new ATOM 69 N CYS A 5 2.505 11.458 -2.059 1.00 0.00 N ATOM 70 CA CYS A 5 1.690 10.263 -1.992 1.00 0.00 C ATOM 71 C CYS A 5 1.937 9.433 -3.241 1.00 0.00 C ATOM 72 O CYS A 5 2.181 9.996 -4.305 1.00 0.00 O ATOM 73 CB CYS A 5 0.195 10.564 -1.807 1.00 0.00 C ATOM 74 SG CYS A 5 -0.257 12.006 -0.793 1.00 0.00 S ATOM 0 H CYS A 5 1.993 12.318 -2.256 1.00 0.00 H new ATOM 0 HA CYS A 5 1.984 9.700 -1.106 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.245 10.697 -2.795 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.273 9.684 -1.366 1.00 0.00 H new ATOM 79 N ILE A 6 1.911 8.107 -3.101 1.00 0.00 N ATOM 80 CA ILE A 6 2.148 7.194 -4.215 1.00 0.00 C ATOM 81 C ILE A 6 0.864 6.433 -4.542 1.00 0.00 C ATOM 82 O ILE A 6 -0.076 6.453 -3.752 1.00 0.00 O ATOM 83 CB ILE A 6 3.346 6.271 -3.922 1.00 0.00 C ATOM 84 CG1 ILE A 6 3.207 5.400 -2.666 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.628 7.107 -3.792 1.00 0.00 C ATOM 86 CD1 ILE A 6 2.125 4.333 -2.795 1.00 0.00 C ATOM 0 H ILE A 6 1.725 7.639 -2.214 1.00 0.00 H new ATOM 0 HA ILE A 6 2.419 7.762 -5.105 1.00 0.00 H new ATOM 0 HB ILE A 6 3.386 5.586 -4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.162 4.917 -2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.980 6.038 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.472 6.449 -3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.807 7.645 -4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.516 7.821 -2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.076 3.751 -1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.162 4.811 -2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.362 3.673 -3.629 1.00 0.00 H new ATOM 98 N ILE A 7 0.829 5.763 -5.700 1.00 0.00 N ATOM 99 CA ILE A 7 -0.186 4.770 -6.041 1.00 0.00 C ATOM 100 C ILE A 7 0.524 3.475 -6.439 1.00 0.00 C ATOM 101 O ILE A 7 1.028 3.353 -7.553 1.00 0.00 O ATOM 102 CB ILE A 7 -1.183 5.299 -7.093 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.222 4.209 -7.414 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.528 5.845 -8.371 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.496 4.778 -8.047 1.00 0.00 C ATOM 0 H ILE A 7 1.520 5.901 -6.437 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.813 4.555 -5.176 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.677 6.163 -6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.779 3.478 -8.091 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.482 3.678 -6.498 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.301 6.195 -9.055 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.133 6.673 -8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.049 5.054 -8.850 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.194 3.966 -8.253 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.957 5.488 -7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.244 5.285 -8.979 1.00 0.00 H new ATOM 117 N ALA A 8 0.597 2.531 -5.497 1.00 0.00 N ATOM 118 CA ALA A 8 1.324 1.279 -5.642 1.00 0.00 C ATOM 119 C ALA A 8 0.356 0.168 -6.029 1.00 0.00 C ATOM 120 O ALA A 8 -0.302 -0.406 -5.164 1.00 0.00 O ATOM 121 CB ALA A 8 2.074 0.957 -4.346 1.00 0.00 C ATOM 0 H ALA A 8 0.138 2.624 -4.591 1.00 0.00 H new ATOM 0 HA ALA A 8 2.065 1.370 -6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.616 0.018 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.779 1.758 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.361 0.865 -3.526 1.00 0.00 H new ATOM 127 N TRP A 9 0.287 -0.141 -7.329 1.00 0.00 N ATOM 128 CA TRP A 9 -0.491 -1.261 -7.836 1.00 0.00 C ATOM 129 C TRP A 9 0.302 -2.544 -7.619 1.00 0.00 C ATOM 130 O TRP A 9 1.207 -2.844 -8.396 1.00 0.00 O ATOM 131 CB TRP A 9 -0.761 -1.092 -9.333 1.00 0.00 C ATOM 132 CG TRP A 9 -1.598 0.076 -9.730 1.00 0.00 C ATOM 133 CD1 TRP A 9 -2.942 0.114 -9.672 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.190 1.356 -10.297 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.401 1.345 -10.085 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.359 2.146 -10.507 1.00 0.00 C ATOM 137 CE3 TRP A 9 0.045 1.922 -10.671 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -2.301 3.442 -11.038 1.00 0.00 C ATOM 139 CZ3 TRP A 9 0.113 3.218 -11.211 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.054 3.981 -11.391 1.00 0.00 C ATOM 0 H TRP A 9 0.773 0.385 -8.056 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.444 -1.302 -7.308 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.198 -1.015 -9.846 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.245 -1.998 -9.697 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.570 -0.703 -9.348 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.381 1.627 -10.080 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.953 1.352 -10.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.204 4.018 -11.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 1.071 3.632 -11.490 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -0.991 4.979 -11.800 1.00 0.00 H new ATOM 151 N VAL A 10 -0.039 -3.293 -6.568 1.00 0.00 N ATOM 152 CA VAL A 10 0.664 -4.516 -6.204 1.00 0.00 C ATOM 153 C VAL A 10 0.108 -5.648 -7.068 1.00 0.00 C ATOM 154 O VAL A 10 -0.884 -6.274 -6.696 1.00 0.00 O ATOM 155 CB VAL A 10 0.522 -4.798 -4.697 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.438 -5.965 -4.309 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.904 -3.585 -3.838 1.00 0.00 C ATOM 0 H VAL A 10 -0.814 -3.064 -5.946 1.00 0.00 H new ATOM 0 HA VAL A 10 1.734 -4.420 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.526 -5.035 -4.512 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.339 -6.166 -3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.155 -6.853 -4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.472 -5.706 -4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.787 -3.835 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.941 -3.313 -4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.255 -2.745 -4.086 1.00 0.00 H new ATOM 167 N TYR A 11 0.720 -5.884 -8.236 1.00 0.00 N ATOM 168 CA TYR A 11 0.153 -6.782 -9.237 1.00 0.00 C ATOM 169 C TYR A 11 0.251 -8.247 -8.813 1.00 0.00 C ATOM 170 O TYR A 11 1.066 -8.608 -7.962 1.00 0.00 O ATOM 171 CB TYR A 11 0.762 -6.573 -10.629 1.00 0.00 C ATOM 172 CG TYR A 11 0.684 -5.152 -11.159 1.00 0.00 C ATOM 173 CD1 TYR A 11 -0.572 -4.552 -11.372 1.00 0.00 C ATOM 174 CD2 TYR A 11 1.854 -4.484 -11.566 1.00 0.00 C ATOM 175 CE1 TYR A 11 -0.655 -3.278 -11.960 1.00 0.00 C ATOM 176 CE2 TYR A 11 1.767 -3.219 -12.170 1.00 0.00 C ATOM 177 CZ TYR A 11 0.516 -2.608 -12.354 1.00 0.00 C ATOM 178 OH TYR A 11 0.440 -1.372 -12.927 1.00 0.00 O ATOM 0 H TYR A 11 1.609 -5.462 -8.506 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.904 -6.525 -9.306 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.808 -6.877 -10.600 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.257 -7.235 -11.333 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.473 -5.072 -11.083 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.819 -4.944 -11.414 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.619 -2.814 -12.109 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.665 -2.714 -12.494 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.347 -0.900 -12.584 1.00 0.00 H new ATOM 188 N GLY A 12 -0.591 -9.083 -9.432 1.00 0.00 N ATOM 189 CA GLY A 12 -0.666 -10.507 -9.177 1.00 0.00 C ATOM 190 C GLY A 12 -1.835 -10.854 -8.262 1.00 0.00 C ATOM 191 O GLY A 12 -2.748 -10.052 -8.074 1.00 0.00 O ATOM 0 H GLY A 12 -1.253 -8.769 -10.142 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.772 -11.041 -10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.265 -10.845 -8.722 1.00 0.00 H new ATOM 195 N ARG A 13 -1.807 -12.075 -7.718 1.00 0.00 N ATOM 196 CA ARG A 13 -2.909 -12.644 -6.954 1.00 0.00 C ATOM 197 C ARG A 13 -2.715 -12.381 -5.465 1.00 0.00 C ATOM 198 O ARG A 13 -2.203 -13.225 -4.730 1.00 0.00 O ATOM 199 CB ARG A 13 -3.056 -14.136 -7.242 1.00 0.00 C ATOM 200 CG ARG A 13 -3.115 -14.408 -8.750 1.00 0.00 C ATOM 201 CD ARG A 13 -3.790 -15.755 -9.027 1.00 0.00 C ATOM 202 NE ARG A 13 -3.878 -16.019 -10.469 1.00 0.00 N ATOM 203 CZ ARG A 13 -4.496 -17.080 -11.017 1.00 0.00 C ATOM 204 NH1 ARG A 13 -5.082 -18.005 -10.242 1.00 0.00 N ATOM 205 NH2 ARG A 13 -4.526 -17.216 -12.349 1.00 0.00 N ATOM 0 H ARG A 13 -1.005 -12.700 -7.800 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.834 -12.158 -7.264 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.217 -14.678 -6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.961 -14.513 -6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.665 -13.610 -9.248 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.107 -14.408 -9.165 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.227 -16.553 -8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.789 -15.760 -8.592 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.439 -15.349 -11.100 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.061 -17.907 -9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.548 -18.806 -10.668 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.081 -16.516 -12.943 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.994 -18.019 -12.769 1.00 0.00 H new ATOM 219 N VAL A 14 -3.112 -11.179 -5.049 1.00 0.00 N ATOM 220 CA VAL A 14 -2.795 -10.606 -3.748 1.00 0.00 C ATOM 221 C VAL A 14 -4.034 -10.562 -2.846 1.00 0.00 C ATOM 222 O VAL A 14 -3.967 -10.959 -1.683 1.00 0.00 O ATOM 223 CB VAL A 14 -2.163 -9.220 -3.954 1.00 0.00 C ATOM 224 CG1 VAL A 14 -1.682 -8.648 -2.616 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.952 -9.304 -4.891 1.00 0.00 C ATOM 0 H VAL A 14 -3.680 -10.561 -5.628 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.072 -11.238 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.927 -8.577 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.237 -7.666 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.528 -8.554 -1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.938 -9.316 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.523 -8.311 -5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.204 -9.969 -4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.268 -9.692 -5.859 1.00 0.00 H new ATOM 235 N GLN A 15 -5.161 -10.073 -3.380 1.00 0.00 N ATOM 236 CA GLN A 15 -6.424 -9.954 -2.659 1.00 0.00 C ATOM 237 C GLN A 15 -6.957 -11.317 -2.209 1.00 0.00 C ATOM 238 O GLN A 15 -6.598 -12.349 -2.775 1.00 0.00 O ATOM 239 CB GLN A 15 -7.431 -9.202 -3.531 1.00 0.00 C ATOM 240 CG GLN A 15 -7.862 -9.958 -4.791 1.00 0.00 C ATOM 241 CD GLN A 15 -8.733 -9.070 -5.675 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.818 -9.473 -6.086 1.00 0.00 O ATOM 243 NE2 GLN A 15 -8.281 -7.844 -5.945 1.00 0.00 N ATOM 0 H GLN A 15 -5.216 -9.744 -4.344 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.257 -9.384 -1.745 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.316 -8.980 -2.934 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.997 -8.247 -3.825 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.982 -10.283 -5.346 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.413 -10.856 -4.513 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.374 -7.544 -5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.842 -7.207 -6.510 1.00 0.00 H new ATOM 252 N GLY A 16 -7.810 -11.319 -1.177 1.00 0.00 N ATOM 253 CA GLY A 16 -8.456 -12.514 -0.655 1.00 0.00 C ATOM 254 C GLY A 16 -7.605 -13.214 0.404 1.00 0.00 C ATOM 255 O GLY A 16 -8.126 -13.635 1.435 1.00 0.00 O ATOM 0 H GLY A 16 -8.071 -10.469 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.420 -12.245 -0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.655 -13.205 -1.474 1.00 0.00 H new ATOM 259 N VAL A 17 -6.298 -13.339 0.146 1.00 0.00 N ATOM 260 CA VAL A 17 -5.349 -14.042 1.003 1.00 0.00 C ATOM 261 C VAL A 17 -5.288 -13.415 2.400 1.00 0.00 C ATOM 262 O VAL A 17 -5.192 -14.133 3.393 1.00 0.00 O ATOM 263 CB VAL A 17 -3.967 -14.066 0.328 1.00 0.00 C ATOM 264 CG1 VAL A 17 -2.917 -14.765 1.205 1.00 0.00 C ATOM 265 CG2 VAL A 17 -4.044 -14.792 -1.023 1.00 0.00 C ATOM 0 H VAL A 17 -5.864 -12.942 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.687 -15.070 1.137 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.666 -13.029 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.955 -14.761 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.825 -14.237 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.225 -15.794 1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.058 -14.801 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.380 -15.817 -0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.748 -14.275 -1.675 1.00 0.00 H new ATOM 275 N GLY A 18 -5.344 -12.079 2.462 1.00 0.00 N ATOM 276 CA GLY A 18 -5.273 -11.293 3.678 1.00 0.00 C ATOM 277 C GLY A 18 -3.955 -10.527 3.772 1.00 0.00 C ATOM 278 O GLY A 18 -3.454 -10.303 4.871 1.00 0.00 O ATOM 0 H GLY A 18 -5.444 -11.502 1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.106 -10.591 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.377 -11.948 4.543 1.00 0.00 H new ATOM 282 N PHE A 19 -3.420 -10.105 2.617 1.00 0.00 N ATOM 283 CA PHE A 19 -2.225 -9.280 2.462 1.00 0.00 C ATOM 284 C PHE A 19 -2.217 -8.071 3.389 1.00 0.00 C ATOM 285 O PHE A 19 -1.167 -7.689 3.902 1.00 0.00 O ATOM 286 CB PHE A 19 -2.174 -8.821 1.004 1.00 0.00 C ATOM 287 CG PHE A 19 -0.871 -8.185 0.570 1.00 0.00 C ATOM 288 CD1 PHE A 19 0.297 -8.968 0.502 1.00 0.00 C ATOM 289 CD2 PHE A 19 -0.861 -6.874 0.056 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.459 -8.454 -0.097 1.00 0.00 C ATOM 291 CE2 PHE A 19 0.283 -6.385 -0.594 1.00 0.00 C ATOM 292 CZ PHE A 19 1.448 -7.167 -0.657 1.00 0.00 C ATOM 0 H PHE A 19 -3.837 -10.347 1.718 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.351 -9.873 2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.371 -9.680 0.363 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.981 -8.107 0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.300 -9.967 0.912 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.733 -6.245 0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.360 -9.049 -0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.267 -5.405 -1.047 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.335 -6.778 -1.136 1.00 0.00 H new ATOM 302 N ARG A 20 -3.406 -7.511 3.631 1.00 0.00 N ATOM 303 CA ARG A 20 -3.667 -6.460 4.605 1.00 0.00 C ATOM 304 C ARG A 20 -3.531 -6.942 6.062 1.00 0.00 C ATOM 305 O ARG A 20 -4.303 -6.515 6.919 1.00 0.00 O ATOM 306 CB ARG A 20 -5.086 -5.927 4.342 1.00 0.00 C ATOM 307 CG ARG A 20 -6.162 -7.007 4.583 1.00 0.00 C ATOM 308 CD ARG A 20 -7.235 -6.548 5.583 1.00 0.00 C ATOM 309 NE ARG A 20 -7.997 -7.686 6.115 1.00 0.00 N ATOM 310 CZ ARG A 20 -7.598 -8.488 7.121 1.00 0.00 C ATOM 311 NH1 ARG A 20 -6.413 -8.310 7.720 1.00 0.00 N ATOM 312 NH2 ARG A 20 -8.396 -9.482 7.532 1.00 0.00 N ATOM 0 H ARG A 20 -4.247 -7.794 3.128 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.920 -5.675 4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.278 -5.072 4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.155 -5.570 3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.637 -7.262 3.635 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.686 -7.914 4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.762 -6.010 6.404 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.915 -5.850 5.094 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.902 -7.885 5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.796 -7.557 7.416 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.128 -8.927 8.480 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.300 -9.628 7.084 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.099 -10.093 8.293 1.00 0.00 H new ATOM 326 N TYR A 21 -2.585 -7.842 6.357 1.00 0.00 N ATOM 327 CA TYR A 21 -2.486 -8.527 7.635 1.00 0.00 C ATOM 328 C TYR A 21 -2.278 -7.524 8.762 1.00 0.00 C ATOM 329 O TYR A 21 -3.083 -7.450 9.689 1.00 0.00 O ATOM 330 CB TYR A 21 -1.327 -9.530 7.587 1.00 0.00 C ATOM 331 CG TYR A 21 -1.161 -10.321 8.870 1.00 0.00 C ATOM 332 CD1 TYR A 21 -2.178 -11.202 9.280 1.00 0.00 C ATOM 333 CD2 TYR A 21 -0.050 -10.098 9.705 1.00 0.00 C ATOM 334 CE1 TYR A 21 -2.098 -11.838 10.531 1.00 0.00 C ATOM 335 CE2 TYR A 21 0.027 -10.730 10.958 1.00 0.00 C ATOM 336 CZ TYR A 21 -1.002 -11.591 11.376 1.00 0.00 C ATOM 337 OH TYR A 21 -0.936 -12.186 12.601 1.00 0.00 O ATOM 0 H TYR A 21 -1.857 -8.114 5.696 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.415 -9.063 7.827 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.489 -10.222 6.761 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.401 -8.994 7.377 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.022 -11.390 8.633 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.744 -9.441 9.383 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.878 -12.516 10.843 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.877 -10.554 11.600 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.113 -11.909 13.055 1.00 0.00 H new ATOM 347 N THR A 22 -1.184 -6.767 8.654 1.00 0.00 N ATOM 348 CA THR A 22 -0.770 -5.763 9.623 1.00 0.00 C ATOM 349 C THR A 22 -0.580 -4.385 8.968 1.00 0.00 C ATOM 350 O THR A 22 -0.050 -3.481 9.611 1.00 0.00 O ATOM 351 CB THR A 22 0.469 -6.292 10.371 1.00 0.00 C ATOM 352 OG1 THR A 22 0.800 -5.468 11.464 1.00 0.00 O ATOM 353 CG2 THR A 22 1.693 -6.470 9.467 1.00 0.00 C ATOM 0 H THR A 22 -0.545 -6.842 7.863 1.00 0.00 H new ATOM 0 HA THR A 22 -1.554 -5.596 10.362 1.00 0.00 H new ATOM 0 HB THR A 22 0.189 -7.280 10.735 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.530 -4.866 11.210 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.529 -6.845 10.057 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.460 -7.181 8.675 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.962 -5.510 9.025 1.00 0.00 H new ATOM 361 N THR A 23 -1.035 -4.206 7.714 1.00 0.00 N ATOM 362 CA THR A 23 -0.935 -2.937 6.990 1.00 0.00 C ATOM 363 C THR A 23 -1.387 -1.728 7.818 1.00 0.00 C ATOM 364 O THR A 23 -0.718 -0.699 7.813 1.00 0.00 O ATOM 365 CB THR A 23 -1.686 -3.026 5.649 1.00 0.00 C ATOM 366 OG1 THR A 23 -1.375 -1.902 4.854 1.00 0.00 O ATOM 367 CG2 THR A 23 -3.207 -3.122 5.789 1.00 0.00 C ATOM 0 H THR A 23 -1.485 -4.947 7.176 1.00 0.00 H new ATOM 0 HA THR A 23 0.123 -2.768 6.787 1.00 0.00 H new ATOM 0 HB THR A 23 -1.352 -3.952 5.182 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.101 -1.247 4.915 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.660 -3.181 4.800 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.464 -4.014 6.360 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.581 -2.239 6.307 1.00 0.00 H new ATOM 375 N GLN A 24 -2.508 -1.860 8.542 1.00 0.00 N ATOM 376 CA GLN A 24 -3.074 -0.822 9.388 1.00 0.00 C ATOM 377 C GLN A 24 -2.107 -0.455 10.513 1.00 0.00 C ATOM 378 O GLN A 24 -1.817 0.721 10.714 1.00 0.00 O ATOM 379 CB GLN A 24 -4.403 -1.326 9.956 1.00 0.00 C ATOM 380 CG GLN A 24 -5.456 -1.453 8.849 1.00 0.00 C ATOM 381 CD GLN A 24 -6.097 -0.134 8.446 1.00 0.00 C ATOM 382 OE1 GLN A 24 -5.897 0.902 9.075 1.00 0.00 O ATOM 383 NE2 GLN A 24 -6.889 -0.187 7.379 1.00 0.00 N ATOM 0 H GLN A 24 -3.055 -2.721 8.549 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.247 0.079 8.799 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.255 -2.293 10.436 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.758 -0.640 10.725 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.992 -1.902 7.971 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.237 -2.137 9.182 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.025 -1.071 6.888 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.360 0.656 7.051 1.00 0.00 H new ATOM 392 N TYR A 25 -1.621 -1.461 11.249 1.00 0.00 N ATOM 393 CA TYR A 25 -0.678 -1.270 12.341 1.00 0.00 C ATOM 394 C TYR A 25 0.528 -0.467 11.865 1.00 0.00 C ATOM 395 O TYR A 25 0.808 0.600 12.401 1.00 0.00 O ATOM 396 CB TYR A 25 -0.228 -2.630 12.878 1.00 0.00 C ATOM 397 CG TYR A 25 0.467 -2.562 14.222 1.00 0.00 C ATOM 398 CD1 TYR A 25 -0.288 -2.355 15.392 1.00 0.00 C ATOM 399 CD2 TYR A 25 1.867 -2.690 14.307 1.00 0.00 C ATOM 400 CE1 TYR A 25 0.354 -2.280 16.641 1.00 0.00 C ATOM 401 CE2 TYR A 25 2.505 -2.629 15.557 1.00 0.00 C ATOM 402 CZ TYR A 25 1.749 -2.420 16.724 1.00 0.00 C ATOM 403 OH TYR A 25 2.368 -2.354 17.938 1.00 0.00 O ATOM 0 H TYR A 25 -1.877 -2.436 11.097 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.169 -0.715 13.140 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.098 -3.282 12.963 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.446 -3.090 12.155 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.361 -2.254 15.330 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.451 -2.835 13.410 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.226 -2.115 17.537 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.577 -2.743 15.622 1.00 0.00 H new ATOM 0 HH TYR A 25 3.334 -2.471 17.820 1.00 0.00 H new ATOM 413 N GLU A 26 1.212 -0.988 10.840 1.00 0.00 N ATOM 414 CA GLU A 26 2.375 -0.366 10.213 1.00 0.00 C ATOM 415 C GLU A 26 2.067 1.074 9.808 1.00 0.00 C ATOM 416 O GLU A 26 2.816 1.991 10.144 1.00 0.00 O ATOM 417 CB GLU A 26 2.825 -1.219 9.016 1.00 0.00 C ATOM 418 CG GLU A 26 3.979 -2.160 9.399 1.00 0.00 C ATOM 419 CD GLU A 26 3.718 -2.921 10.698 1.00 0.00 C ATOM 420 OE1 GLU A 26 2.774 -3.737 10.699 1.00 0.00 O ATOM 421 OE2 GLU A 26 4.453 -2.653 11.677 1.00 0.00 O ATOM 0 H GLU A 26 0.961 -1.880 10.414 1.00 0.00 H new ATOM 0 HA GLU A 26 3.196 -0.322 10.928 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.983 -1.805 8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.140 -0.567 8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.142 -2.874 8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.896 -1.580 9.502 1.00 0.00 H new ATOM 428 N ALA A 27 0.946 1.271 9.109 1.00 0.00 N ATOM 429 CA ALA A 27 0.492 2.586 8.683 1.00 0.00 C ATOM 430 C ALA A 27 0.362 3.551 9.862 1.00 0.00 C ATOM 431 O ALA A 27 0.702 4.723 9.731 1.00 0.00 O ATOM 432 CB ALA A 27 -0.847 2.454 7.948 1.00 0.00 C ATOM 0 H ALA A 27 0.327 0.512 8.823 1.00 0.00 H new ATOM 0 HA ALA A 27 1.240 3.001 8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.186 3.440 7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.721 1.814 7.075 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.587 2.014 8.617 1.00 0.00 H new ATOM 438 N LYS A 28 -0.113 3.053 11.011 1.00 0.00 N ATOM 439 CA LYS A 28 -0.277 3.835 12.230 1.00 0.00 C ATOM 440 C LYS A 28 1.074 4.247 12.834 1.00 0.00 C ATOM 441 O LYS A 28 1.146 5.288 13.484 1.00 0.00 O ATOM 442 CB LYS A 28 -1.139 3.055 13.236 1.00 0.00 C ATOM 443 CG LYS A 28 -1.592 3.920 14.418 1.00 0.00 C ATOM 444 CD LYS A 28 -2.486 3.100 15.355 1.00 0.00 C ATOM 445 CE LYS A 28 -2.963 3.954 16.535 1.00 0.00 C ATOM 446 NZ LYS A 28 -3.822 3.181 17.450 1.00 0.00 N ATOM 0 H LYS A 28 -0.397 2.079 11.115 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.792 4.762 11.978 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.015 2.656 12.725 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.572 2.202 13.610 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.723 4.290 14.962 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.135 4.792 14.054 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.346 2.720 14.804 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.936 2.235 15.725 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.100 4.337 17.081 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.513 4.818 16.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.127 3.789 18.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.657 2.837 16.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.289 2.371 17.825 1.00 0.00 H new ATOM 460 N ARG A 29 2.143 3.464 12.614 1.00 0.00 N ATOM 461 CA ARG A 29 3.488 3.823 13.063 1.00 0.00 C ATOM 462 C ARG A 29 3.931 5.113 12.370 1.00 0.00 C ATOM 463 O ARG A 29 4.430 6.028 13.023 1.00 0.00 O ATOM 464 CB ARG A 29 4.522 2.716 12.778 1.00 0.00 C ATOM 465 CG ARG A 29 4.079 1.284 13.097 1.00 0.00 C ATOM 466 CD ARG A 29 3.910 0.976 14.586 1.00 0.00 C ATOM 467 NE ARG A 29 5.193 0.694 15.243 1.00 0.00 N ATOM 468 CZ ARG A 29 5.919 -0.428 15.082 1.00 0.00 C ATOM 469 NH1 ARG A 29 5.535 -1.394 14.232 1.00 0.00 N ATOM 470 NH2 ARG A 29 7.049 -0.586 15.784 1.00 0.00 N ATOM 0 H ARG A 29 2.095 2.571 12.123 1.00 0.00 H new ATOM 0 HA ARG A 29 3.441 3.961 14.143 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.795 2.764 11.724 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.424 2.932 13.351 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.132 1.092 12.592 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.810 0.592 12.679 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.430 1.822 15.078 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.247 0.119 14.705 1.00 0.00 H new ATOM 0 HE ARG A 29 5.564 1.406 15.872 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.677 -1.286 13.692 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.102 -2.236 14.127 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.352 0.140 16.433 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.606 -1.432 15.669 1.00 0.00 H new ATOM 484 N LEU A 30 3.749 5.176 11.045 1.00 0.00 N ATOM 485 CA LEU A 30 4.133 6.324 10.234 1.00 0.00 C ATOM 486 C LEU A 30 3.118 7.462 10.376 1.00 0.00 C ATOM 487 O LEU A 30 3.485 8.632 10.284 1.00 0.00 O ATOM 488 CB LEU A 30 4.234 5.889 8.769 1.00 0.00 C ATOM 489 CG LEU A 30 5.234 4.745 8.528 1.00 0.00 C ATOM 490 CD1 LEU A 30 5.068 4.260 7.087 1.00 0.00 C ATOM 491 CD2 LEU A 30 6.682 5.182 8.773 1.00 0.00 C ATOM 0 H LEU A 30 3.326 4.420 10.506 1.00 0.00 H new ATOM 0 HA LEU A 30 5.099 6.693 10.579 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.249 5.576 8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.526 6.748 8.164 1.00 0.00 H new ATOM 0 HG LEU A 30 5.024 3.942 9.234 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.768 3.448 6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.049 3.904 6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.268 5.083 6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.352 4.341 8.591 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.934 6.000 8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.792 5.516 9.805 1.00 0.00 H new ATOM 503 N GLY A 31 1.841 7.111 10.574 1.00 0.00 N ATOM 504 CA GLY A 31 0.725 8.038 10.654 1.00 0.00 C ATOM 505 C GLY A 31 0.349 8.617 9.291 1.00 0.00 C ATOM 506 O GLY A 31 -0.117 9.752 9.212 1.00 0.00 O ATOM 0 H GLY A 31 1.556 6.138 10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.139 7.527 11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.980 8.851 11.333 1.00 0.00 H new ATOM 510 N LEU A 32 0.554 7.836 8.225 1.00 0.00 N ATOM 511 CA LEU A 32 0.262 8.248 6.858 1.00 0.00 C ATOM 512 C LEU A 32 -1.216 8.085 6.510 1.00 0.00 C ATOM 513 O LEU A 32 -1.980 7.489 7.269 1.00 0.00 O ATOM 514 CB LEU A 32 1.206 7.572 5.852 1.00 0.00 C ATOM 515 CG LEU A 32 0.892 6.147 5.362 1.00 0.00 C ATOM 516 CD1 LEU A 32 0.653 5.181 6.509 1.00 0.00 C ATOM 517 CD2 LEU A 32 -0.292 6.051 4.401 1.00 0.00 C ATOM 0 H LEU A 32 0.932 6.891 8.293 1.00 0.00 H new ATOM 0 HA LEU A 32 0.459 9.318 6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.263 8.215 4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.200 7.553 6.298 1.00 0.00 H new ATOM 0 HG LEU A 32 1.791 5.867 4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.436 4.190 6.111 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.543 5.133 7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.192 5.526 7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.440 5.011 4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.191 6.421 4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.091 6.652 3.514 1.00 0.00 H new ATOM 529 N THR A 33 -1.601 8.648 5.360 1.00 0.00 N ATOM 530 CA THR A 33 -2.992 8.814 4.964 1.00 0.00 C ATOM 531 C THR A 33 -3.192 8.223 3.576 1.00 0.00 C ATOM 532 O THR A 33 -2.273 8.258 2.759 1.00 0.00 O ATOM 533 CB THR A 33 -3.407 10.291 5.015 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.851 11.056 3.969 1.00 0.00 O ATOM 535 CG2 THR A 33 -3.020 10.920 6.356 1.00 0.00 C ATOM 0 H THR A 33 -0.939 9.005 4.671 1.00 0.00 H new ATOM 0 HA THR A 33 -3.633 8.282 5.667 1.00 0.00 H new ATOM 0 HB THR A 33 -4.490 10.301 4.896 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.397 11.857 3.824 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.324 11.967 6.368 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.519 10.387 7.165 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.940 10.854 6.491 1.00 0.00 H new ATOM 543 N GLY A 34 -4.377 7.673 3.309 1.00 0.00 N ATOM 544 CA GLY A 34 -4.611 6.931 2.080 1.00 0.00 C ATOM 545 C GLY A 34 -5.509 5.737 2.332 1.00 0.00 C ATOM 546 O GLY A 34 -6.411 5.796 3.162 1.00 0.00 O ATOM 0 H GLY A 34 -5.185 7.730 3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.068 7.585 1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.660 6.595 1.667 1.00 0.00 H new ATOM 550 N TYR A 35 -5.245 4.656 1.600 1.00 0.00 N ATOM 551 CA TYR A 35 -5.919 3.382 1.786 1.00 0.00 C ATOM 552 C TYR A 35 -5.342 2.312 0.866 1.00 0.00 C ATOM 553 O TYR A 35 -4.822 2.616 -0.206 1.00 0.00 O ATOM 554 CB TYR A 35 -7.426 3.515 1.527 1.00 0.00 C ATOM 555 CG TYR A 35 -7.791 4.201 0.223 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.629 3.530 -1.003 1.00 0.00 C ATOM 557 CD2 TYR A 35 -8.188 5.552 0.226 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.779 4.223 -2.214 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.376 6.236 -0.988 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.149 5.577 -2.209 1.00 0.00 C ATOM 561 OH TYR A 35 -8.282 6.255 -3.385 1.00 0.00 O ATOM 0 H TYR A 35 -4.549 4.645 0.854 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.758 3.081 2.821 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.871 2.520 1.534 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.874 4.070 2.351 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.388 2.477 -1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.349 6.064 1.163 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.610 3.714 -3.151 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.695 7.268 -0.983 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.544 7.181 -3.201 1.00 0.00 H new ATOM 571 N ALA A 36 -5.501 1.053 1.282 1.00 0.00 N ATOM 572 CA ALA A 36 -5.281 -0.119 0.456 1.00 0.00 C ATOM 573 C ALA A 36 -6.624 -0.617 -0.070 1.00 0.00 C ATOM 574 O ALA A 36 -7.291 -1.388 0.615 1.00 0.00 O ATOM 575 CB ALA A 36 -4.569 -1.185 1.293 1.00 0.00 C ATOM 0 H ALA A 36 -5.795 0.823 2.231 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.651 0.120 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.398 -2.072 0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.613 -0.795 1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.189 -1.448 2.150 1.00 0.00 H new ATOM 581 N LYS A 37 -7.029 -0.192 -1.276 1.00 0.00 N ATOM 582 CA LYS A 37 -8.174 -0.753 -1.961 1.00 0.00 C ATOM 583 C LYS A 37 -7.704 -1.873 -2.887 1.00 0.00 C ATOM 584 O LYS A 37 -6.503 -2.067 -3.056 1.00 0.00 O ATOM 585 CB LYS A 37 -8.911 0.348 -2.728 1.00 0.00 C ATOM 586 CG LYS A 37 -8.185 0.884 -3.969 1.00 0.00 C ATOM 587 CD LYS A 37 -9.068 1.837 -4.792 1.00 0.00 C ATOM 588 CE LYS A 37 -10.308 1.188 -5.431 1.00 0.00 C ATOM 589 NZ LYS A 37 -9.980 0.011 -6.256 1.00 0.00 N ATOM 0 H LYS A 37 -6.562 0.552 -1.794 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.875 -1.177 -1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.884 -0.035 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.096 1.180 -2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.279 1.406 -3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.874 0.048 -4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.395 2.652 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.461 2.279 -5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.002 0.892 -4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.821 1.926 -6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.553 0.025 -7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.971 0.033 -6.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.184 -0.856 -5.720 1.00 0.00 H new ATOM 603 N ASN A 38 -8.652 -2.592 -3.498 1.00 0.00 N ATOM 604 CA ASN A 38 -8.370 -3.702 -4.405 1.00 0.00 C ATOM 605 C ASN A 38 -9.053 -3.468 -5.750 1.00 0.00 C ATOM 606 O ASN A 38 -10.118 -2.854 -5.805 1.00 0.00 O ATOM 607 CB ASN A 38 -8.808 -5.036 -3.782 1.00 0.00 C ATOM 608 CG ASN A 38 -8.028 -5.423 -2.535 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.166 -4.694 -2.058 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.333 -6.597 -1.992 1.00 0.00 N ATOM 0 H ASN A 38 -9.649 -2.414 -3.373 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.294 -3.754 -4.574 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.867 -4.978 -3.532 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.699 -5.825 -4.526 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.845 -6.914 -1.154 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.056 -7.181 -2.413 1.00 0.00 H new ATOM 617 N LEU A 39 -8.429 -3.957 -6.829 1.00 0.00 N ATOM 618 CA LEU A 39 -8.996 -3.971 -8.170 1.00 0.00 C ATOM 619 C LEU A 39 -9.882 -5.202 -8.351 1.00 0.00 C ATOM 620 O LEU A 39 -9.931 -6.080 -7.492 1.00 0.00 O ATOM 621 CB LEU A 39 -7.865 -3.975 -9.219 1.00 0.00 C ATOM 622 CG LEU A 39 -7.236 -2.594 -9.456 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.996 -2.723 -10.346 1.00 0.00 C ATOM 624 CD2 LEU A 39 -8.222 -1.644 -10.147 1.00 0.00 C ATOM 0 H LEU A 39 -7.494 -4.362 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.604 -3.076 -8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.087 -4.668 -8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.259 -4.352 -10.163 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.966 -2.189 -8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.559 -1.737 -10.507 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.265 -3.369 -9.860 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.280 -3.155 -11.306 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.747 -0.675 -10.301 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.515 -2.061 -11.110 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.106 -1.519 -9.522 1.00 0.00 H new ATOM 636 N ASP A 40 -10.542 -5.279 -9.510 1.00 0.00 N ATOM 637 CA ASP A 40 -11.262 -6.459 -9.970 1.00 0.00 C ATOM 638 C ASP A 40 -10.321 -7.403 -10.738 1.00 0.00 C ATOM 639 O ASP A 40 -10.791 -8.257 -11.489 1.00 0.00 O ATOM 640 CB ASP A 40 -12.441 -6.008 -10.843 1.00 0.00 C ATOM 641 CG ASP A 40 -13.372 -5.062 -10.089 1.00 0.00 C ATOM 642 OD1 ASP A 40 -14.280 -5.580 -9.404 1.00 0.00 O ATOM 643 OD2 ASP A 40 -13.149 -3.836 -10.200 1.00 0.00 O ATOM 0 H ASP A 40 -10.589 -4.500 -10.167 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.646 -7.016 -9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.063 -5.511 -11.737 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.002 -6.881 -11.177 1.00 0.00 H new ATOM 648 N ASP A 41 -8.999 -7.256 -10.557 1.00 0.00 N ATOM 649 CA ASP A 41 -7.974 -8.050 -11.214 1.00 0.00 C ATOM 650 C ASP A 41 -7.549 -9.192 -10.297 1.00 0.00 C ATOM 651 O ASP A 41 -7.513 -10.352 -10.702 1.00 0.00 O ATOM 652 CB ASP A 41 -6.796 -7.122 -11.548 1.00 0.00 C ATOM 653 CG ASP A 41 -5.489 -7.880 -11.767 1.00 0.00 C ATOM 654 OD1 ASP A 41 -5.324 -8.437 -12.873 1.00 0.00 O ATOM 655 OD2 ASP A 41 -4.679 -7.889 -10.814 1.00 0.00 O ATOM 0 H ASP A 41 -8.612 -6.555 -9.926 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.349 -8.493 -12.136 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.033 -6.550 -12.445 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.663 -6.405 -10.738 1.00 0.00 H new ATOM 660 N GLY A 42 -7.179 -8.823 -9.071 1.00 0.00 N ATOM 661 CA GLY A 42 -6.382 -9.635 -8.176 1.00 0.00 C ATOM 662 C GLY A 42 -5.484 -8.783 -7.270 1.00 0.00 C ATOM 663 O GLY A 42 -4.960 -9.283 -6.276 1.00 0.00 O ATOM 0 H GLY A 42 -7.438 -7.922 -8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.040 -10.248 -7.560 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.764 -10.318 -8.760 1.00 0.00 H new ATOM 667 N SER A 43 -5.275 -7.510 -7.633 1.00 0.00 N ATOM 668 CA SER A 43 -4.190 -6.680 -7.131 1.00 0.00 C ATOM 669 C SER A 43 -4.680 -5.603 -6.159 1.00 0.00 C ATOM 670 O SER A 43 -5.836 -5.189 -6.223 1.00 0.00 O ATOM 671 CB SER A 43 -3.493 -6.064 -8.345 1.00 0.00 C ATOM 672 OG SER A 43 -4.434 -5.574 -9.273 1.00 0.00 O ATOM 0 H SER A 43 -5.874 -7.024 -8.300 1.00 0.00 H new ATOM 0 HA SER A 43 -3.494 -7.291 -6.556 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.840 -5.253 -8.021 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.860 -6.811 -8.824 1.00 0.00 H new ATOM 0 HG SER A 43 -4.638 -6.271 -9.931 1.00 0.00 H new ATOM 678 N VAL A 44 -3.789 -5.167 -5.255 1.00 0.00 N ATOM 679 CA VAL A 44 -4.072 -4.181 -4.218 1.00 0.00 C ATOM 680 C VAL A 44 -3.491 -2.829 -4.636 1.00 0.00 C ATOM 681 O VAL A 44 -2.282 -2.723 -4.822 1.00 0.00 O ATOM 682 CB VAL A 44 -3.467 -4.633 -2.874 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.818 -3.643 -1.754 1.00 0.00 C ATOM 684 CG2 VAL A 44 -3.981 -6.020 -2.472 1.00 0.00 C ATOM 0 H VAL A 44 -2.827 -5.504 -5.231 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.151 -4.086 -4.093 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.386 -4.670 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.380 -3.984 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.423 -2.658 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.901 -3.583 -1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.536 -6.311 -1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.066 -5.991 -2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.707 -6.746 -3.238 1.00 0.00 H new ATOM 694 N GLU A 45 -4.331 -1.793 -4.747 1.00 0.00 N ATOM 695 CA GLU A 45 -3.885 -0.431 -5.004 1.00 0.00 C ATOM 696 C GLU A 45 -3.643 0.258 -3.665 1.00 0.00 C ATOM 697 O GLU A 45 -4.583 0.746 -3.035 1.00 0.00 O ATOM 698 CB GLU A 45 -4.910 0.355 -5.829 1.00 0.00 C ATOM 699 CG GLU A 45 -5.516 -0.469 -6.961 1.00 0.00 C ATOM 700 CD GLU A 45 -6.393 0.413 -7.847 1.00 0.00 C ATOM 701 OE1 GLU A 45 -5.832 1.073 -8.746 1.00 0.00 O ATOM 702 OE2 GLU A 45 -7.616 0.428 -7.595 1.00 0.00 O ATOM 0 H GLU A 45 -5.343 -1.883 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.964 -0.464 -5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.707 0.704 -5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.431 1.241 -6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.723 -0.920 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.109 -1.286 -6.549 1.00 0.00 H new ATOM 709 N VAL A 46 -2.384 0.280 -3.227 1.00 0.00 N ATOM 710 CA VAL A 46 -2.015 0.905 -1.962 1.00 0.00 C ATOM 711 C VAL A 46 -1.666 2.360 -2.229 1.00 0.00 C ATOM 712 O VAL A 46 -0.742 2.642 -2.986 1.00 0.00 O ATOM 713 CB VAL A 46 -0.858 0.165 -1.279 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.544 0.788 0.089 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.193 -1.316 -1.077 1.00 0.00 C ATOM 0 H VAL A 46 -1.601 -0.131 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.858 0.852 -1.273 1.00 0.00 H new ATOM 0 HB VAL A 46 0.011 0.254 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.280 0.247 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.263 1.833 -0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.425 0.727 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.355 -1.816 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.081 -1.406 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.381 -1.782 -2.044 1.00 0.00 H new ATOM 725 N VAL A 47 -2.405 3.275 -1.600 1.00 0.00 N ATOM 726 CA VAL A 47 -2.191 4.706 -1.726 1.00 0.00 C ATOM 727 C VAL A 47 -1.739 5.217 -0.361 1.00 0.00 C ATOM 728 O VAL A 47 -2.384 4.918 0.642 1.00 0.00 O ATOM 729 CB VAL A 47 -3.476 5.427 -2.156 1.00 0.00 C ATOM 730 CG1 VAL A 47 -3.160 6.830 -2.681 1.00 0.00 C ATOM 731 CG2 VAL A 47 -4.268 4.665 -3.228 1.00 0.00 C ATOM 0 H VAL A 47 -3.179 3.033 -0.981 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.440 4.903 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.096 5.485 -1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.085 7.323 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.676 7.412 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.494 6.755 -3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.164 5.228 -3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.649 4.538 -4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.554 3.686 -2.842 1.00 0.00 H new ATOM 741 N ALA A 48 -0.606 5.923 -0.335 1.00 0.00 N ATOM 742 CA ALA A 48 0.068 6.270 0.910 1.00 0.00 C ATOM 743 C ALA A 48 0.774 7.613 0.787 1.00 0.00 C ATOM 744 O ALA A 48 1.743 7.712 0.036 1.00 0.00 O ATOM 745 CB ALA A 48 1.101 5.180 1.222 1.00 0.00 C ATOM 0 H ALA A 48 -0.136 6.266 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.669 6.343 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.616 5.422 2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.596 4.220 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.826 5.122 0.410 1.00 0.00 H new ATOM 751 N CYS A 49 0.320 8.617 1.544 1.00 0.00 N ATOM 752 CA CYS A 49 0.960 9.921 1.662 1.00 0.00 C ATOM 753 C CYS A 49 2.132 9.862 2.634 1.00 0.00 C ATOM 754 O CYS A 49 2.496 8.794 3.120 1.00 0.00 O ATOM 755 CB CYS A 49 -0.095 10.957 2.059 1.00 0.00 C ATOM 756 SG CYS A 49 -1.339 11.264 0.776 1.00 0.00 S ATOM 0 H CYS A 49 -0.528 8.537 2.106 1.00 0.00 H new ATOM 0 HA CYS A 49 1.382 10.223 0.703 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.597 10.621 2.966 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.404 11.896 2.300 1.00 0.00 H new ATOM 761 N GLY A 50 2.745 11.020 2.874 1.00 0.00 N ATOM 762 CA GLY A 50 3.908 11.162 3.731 1.00 0.00 C ATOM 763 C GLY A 50 5.145 11.390 2.875 1.00 0.00 C ATOM 764 O GLY A 50 5.060 11.487 1.651 1.00 0.00 O ATOM 0 H GLY A 50 2.435 11.902 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.768 11.998 4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.035 10.268 4.341 1.00 0.00 H new ATOM 768 N GLU A 51 6.302 11.459 3.535 1.00 0.00 N ATOM 769 CA GLU A 51 7.579 11.569 2.856 1.00 0.00 C ATOM 770 C GLU A 51 7.938 10.208 2.258 1.00 0.00 C ATOM 771 O GLU A 51 7.534 9.171 2.783 1.00 0.00 O ATOM 772 CB GLU A 51 8.645 12.084 3.832 1.00 0.00 C ATOM 773 CG GLU A 51 8.185 13.349 4.576 1.00 0.00 C ATOM 774 CD GLU A 51 7.637 14.424 3.635 1.00 0.00 C ATOM 775 OE1 GLU A 51 8.457 14.987 2.878 1.00 0.00 O ATOM 776 OE2 GLU A 51 6.409 14.661 3.684 1.00 0.00 O ATOM 0 H GLU A 51 6.373 11.440 4.552 1.00 0.00 H new ATOM 0 HA GLU A 51 7.523 12.290 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.881 11.304 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.563 12.299 3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.416 13.080 5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.023 13.759 5.139 1.00 0.00 H new ATOM 783 N GLU A 52 8.678 10.212 1.145 1.00 0.00 N ATOM 784 CA GLU A 52 9.037 8.998 0.420 1.00 0.00 C ATOM 785 C GLU A 52 9.705 7.993 1.360 1.00 0.00 C ATOM 786 O GLU A 52 9.332 6.822 1.393 1.00 0.00 O ATOM 787 CB GLU A 52 9.954 9.356 -0.759 1.00 0.00 C ATOM 788 CG GLU A 52 9.479 8.663 -2.039 1.00 0.00 C ATOM 789 CD GLU A 52 10.341 9.061 -3.233 1.00 0.00 C ATOM 790 OE1 GLU A 52 10.083 10.156 -3.779 1.00 0.00 O ATOM 791 OE2 GLU A 52 11.246 8.267 -3.571 1.00 0.00 O ATOM 0 H GLU A 52 9.045 11.065 0.722 1.00 0.00 H new ATOM 0 HA GLU A 52 8.135 8.530 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.963 10.436 -0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.978 9.056 -0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.515 7.582 -1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.439 8.926 -2.234 1.00 0.00 H new ATOM 798 N GLY A 53 10.656 8.492 2.157 1.00 0.00 N ATOM 799 CA GLY A 53 11.350 7.777 3.205 1.00 0.00 C ATOM 800 C GLY A 53 10.407 6.988 4.112 1.00 0.00 C ATOM 801 O GLY A 53 10.644 5.811 4.367 1.00 0.00 O ATOM 0 H GLY A 53 10.971 9.459 2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.070 7.093 2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.917 8.486 3.808 1.00 0.00 H new ATOM 805 N GLN A 54 9.336 7.629 4.598 1.00 0.00 N ATOM 806 CA GLN A 54 8.341 6.990 5.452 1.00 0.00 C ATOM 807 C GLN A 54 7.611 5.876 4.712 1.00 0.00 C ATOM 808 O GLN A 54 7.544 4.746 5.191 1.00 0.00 O ATOM 809 CB GLN A 54 7.308 8.018 5.927 1.00 0.00 C ATOM 810 CG GLN A 54 7.846 8.962 7.004 1.00 0.00 C ATOM 811 CD GLN A 54 6.699 9.759 7.619 1.00 0.00 C ATOM 812 OE1 GLN A 54 6.446 10.896 7.228 1.00 0.00 O ATOM 813 NE2 GLN A 54 5.995 9.149 8.577 1.00 0.00 N ATOM 0 H GLN A 54 9.139 8.611 4.405 1.00 0.00 H new ATOM 0 HA GLN A 54 8.869 6.566 6.306 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.971 8.606 5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.436 7.493 6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.358 8.390 7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.580 9.641 6.570 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.243 8.204 8.869 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.210 9.629 9.017 1.00 0.00 H new ATOM 822 N VAL A 55 7.045 6.219 3.554 1.00 0.00 N ATOM 823 CA VAL A 55 6.263 5.312 2.727 1.00 0.00 C ATOM 824 C VAL A 55 7.077 4.079 2.316 1.00 0.00 C ATOM 825 O VAL A 55 6.529 2.981 2.265 1.00 0.00 O ATOM 826 CB VAL A 55 5.684 6.077 1.527 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.908 5.137 0.601 1.00 0.00 C ATOM 828 CG2 VAL A 55 4.723 7.173 2.001 1.00 0.00 C ATOM 0 H VAL A 55 7.122 7.157 3.160 1.00 0.00 H new ATOM 0 HA VAL A 55 5.426 4.928 3.309 1.00 0.00 H new ATOM 0 HB VAL A 55 6.523 6.517 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.508 5.703 -0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.575 4.359 0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.087 4.679 1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.323 7.704 1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.904 6.722 2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.258 7.874 2.642 1.00 0.00 H new ATOM 838 N GLU A 56 8.384 4.232 2.084 1.00 0.00 N ATOM 839 CA GLU A 56 9.279 3.116 1.821 1.00 0.00 C ATOM 840 C GLU A 56 9.177 2.056 2.922 1.00 0.00 C ATOM 841 O GLU A 56 9.178 0.868 2.613 1.00 0.00 O ATOM 842 CB GLU A 56 10.709 3.650 1.675 1.00 0.00 C ATOM 843 CG GLU A 56 11.724 2.569 1.285 1.00 0.00 C ATOM 844 CD GLU A 56 13.152 3.086 1.422 1.00 0.00 C ATOM 845 OE1 GLU A 56 13.568 3.291 2.584 1.00 0.00 O ATOM 846 OE2 GLU A 56 13.804 3.267 0.371 1.00 0.00 O ATOM 0 H GLU A 56 8.847 5.141 2.075 1.00 0.00 H new ATOM 0 HA GLU A 56 8.989 2.627 0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.720 4.438 0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.017 4.105 2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.588 1.692 1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.545 2.251 0.258 1.00 0.00 H new ATOM 853 N LYS A 57 9.071 2.460 4.196 1.00 0.00 N ATOM 854 CA LYS A 57 9.123 1.518 5.308 1.00 0.00 C ATOM 855 C LYS A 57 7.927 0.561 5.317 1.00 0.00 C ATOM 856 O LYS A 57 8.100 -0.617 5.623 1.00 0.00 O ATOM 857 CB LYS A 57 9.284 2.243 6.650 1.00 0.00 C ATOM 858 CG LYS A 57 10.434 3.265 6.670 1.00 0.00 C ATOM 859 CD LYS A 57 11.728 2.757 6.016 1.00 0.00 C ATOM 860 CE LYS A 57 12.857 3.781 6.154 1.00 0.00 C ATOM 861 NZ LYS A 57 14.012 3.402 5.323 1.00 0.00 N ATOM 0 H LYS A 57 8.949 3.433 4.475 1.00 0.00 H new ATOM 0 HA LYS A 57 10.010 0.902 5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.352 2.754 6.890 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.453 1.504 7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.111 4.171 6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.644 3.541 7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.028 1.817 6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.548 2.550 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.498 4.767 5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.163 3.853 7.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.724 4.159 5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.428 2.521 5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.701 3.257 4.341 1.00 0.00 H new ATOM 875 N LEU A 58 6.724 1.038 4.968 1.00 0.00 N ATOM 876 CA LEU A 58 5.555 0.168 4.904 1.00 0.00 C ATOM 877 C LEU A 58 5.592 -0.710 3.646 1.00 0.00 C ATOM 878 O LEU A 58 5.195 -1.873 3.700 1.00 0.00 O ATOM 879 CB LEU A 58 4.254 0.968 5.104 1.00 0.00 C ATOM 880 CG LEU A 58 3.682 1.662 3.857 1.00 0.00 C ATOM 881 CD1 LEU A 58 2.643 0.761 3.181 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.000 2.977 4.245 1.00 0.00 C ATOM 0 H LEU A 58 6.542 2.013 4.729 1.00 0.00 H new ATOM 0 HA LEU A 58 5.580 -0.534 5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.495 0.293 5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.433 1.727 5.866 1.00 0.00 H new ATOM 0 HG LEU A 58 4.507 1.860 3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.245 1.263 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.113 -0.177 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.831 0.555 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.600 3.457 3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.187 2.773 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.727 3.638 4.717 1.00 0.00 H new ATOM 894 N MET A 59 6.107 -0.184 2.523 1.00 0.00 N ATOM 895 CA MET A 59 6.268 -0.953 1.299 1.00 0.00 C ATOM 896 C MET A 59 7.288 -2.086 1.437 1.00 0.00 C ATOM 897 O MET A 59 7.045 -3.171 0.913 1.00 0.00 O ATOM 898 CB MET A 59 6.590 -0.052 0.109 1.00 0.00 C ATOM 899 CG MET A 59 5.433 0.907 -0.192 1.00 0.00 C ATOM 900 SD MET A 59 5.350 1.532 -1.894 1.00 0.00 S ATOM 901 CE MET A 59 6.945 2.386 -2.006 1.00 0.00 C ATOM 0 H MET A 59 6.420 0.784 2.448 1.00 0.00 H new ATOM 0 HA MET A 59 5.306 -1.428 1.108 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.494 0.520 0.317 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.795 -0.665 -0.769 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.496 0.399 0.035 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.506 1.758 0.485 1.00 0.00 H new ATOM 0 HE1 MET A 59 7.044 2.844 -2.990 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.998 3.159 -1.239 1.00 0.00 H new ATOM 0 HE3 MET A 59 7.753 1.670 -1.856 1.00 0.00 H new ATOM 911 N GLN A 60 8.404 -1.857 2.141 1.00 0.00 N ATOM 912 CA GLN A 60 9.382 -2.893 2.464 1.00 0.00 C ATOM 913 C GLN A 60 8.708 -4.149 3.021 1.00 0.00 C ATOM 914 O GLN A 60 9.103 -5.261 2.674 1.00 0.00 O ATOM 915 CB GLN A 60 10.397 -2.364 3.487 1.00 0.00 C ATOM 916 CG GLN A 60 11.519 -1.548 2.832 1.00 0.00 C ATOM 917 CD GLN A 60 12.451 -0.948 3.883 1.00 0.00 C ATOM 918 OE1 GLN A 60 12.534 0.268 4.031 1.00 0.00 O ATOM 919 NE2 GLN A 60 13.160 -1.804 4.623 1.00 0.00 N ATOM 0 H GLN A 60 8.652 -0.937 2.504 1.00 0.00 H new ATOM 0 HA GLN A 60 9.895 -3.159 1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.880 -1.743 4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.832 -3.203 4.030 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.090 -2.186 2.157 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.087 -0.751 2.227 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.065 -2.808 4.472 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.796 -1.454 5.339 1.00 0.00 H new ATOM 928 N TRP A 61 7.691 -3.974 3.876 1.00 0.00 N ATOM 929 CA TRP A 61 6.946 -5.088 4.426 1.00 0.00 C ATOM 930 C TRP A 61 5.931 -5.620 3.405 1.00 0.00 C ATOM 931 O TRP A 61 5.745 -6.833 3.348 1.00 0.00 O ATOM 932 CB TRP A 61 6.303 -4.691 5.759 1.00 0.00 C ATOM 933 CG TRP A 61 5.187 -5.595 6.172 1.00 0.00 C ATOM 934 CD1 TRP A 61 5.304 -6.826 6.716 1.00 0.00 C ATOM 935 CD2 TRP A 61 3.775 -5.413 5.896 1.00 0.00 C ATOM 936 NE1 TRP A 61 4.061 -7.427 6.779 1.00 0.00 N ATOM 937 CE2 TRP A 61 3.083 -6.604 6.255 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.023 -4.368 5.328 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.704 -6.753 6.043 1.00 0.00 C ATOM 940 CZ3 TRP A 61 1.637 -4.496 5.141 1.00 0.00 C ATOM 941 CH2 TRP A 61 0.979 -5.690 5.487 1.00 0.00 C ATOM 0 H TRP A 61 7.372 -3.060 4.197 1.00 0.00 H new ATOM 0 HA TRP A 61 7.630 -5.910 4.637 1.00 0.00 H new ATOM 0 HB2 TRP A 61 7.067 -4.690 6.537 1.00 0.00 H new ATOM 0 HB3 TRP A 61 5.925 -3.671 5.682 1.00 0.00 H new ATOM 0 HD1 TRP A 61 6.229 -7.273 7.051 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.888 -8.356 7.162 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.518 -3.455 5.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 1.207 -7.675 6.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.073 -3.672 4.729 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -0.084 -5.788 5.324 1.00 0.00 H new ATOM 952 N LEU A 62 5.282 -4.762 2.598 1.00 0.00 N ATOM 953 CA LEU A 62 4.299 -5.228 1.616 1.00 0.00 C ATOM 954 C LEU A 62 4.937 -6.201 0.625 1.00 0.00 C ATOM 955 O LEU A 62 4.410 -7.292 0.413 1.00 0.00 O ATOM 956 CB LEU A 62 3.636 -4.069 0.861 1.00 0.00 C ATOM 957 CG LEU A 62 2.574 -3.349 1.704 1.00 0.00 C ATOM 958 CD1 LEU A 62 2.227 -2.011 1.047 1.00 0.00 C ATOM 959 CD2 LEU A 62 1.265 -4.140 1.825 1.00 0.00 C ATOM 0 H LEU A 62 5.422 -3.752 2.609 1.00 0.00 H new ATOM 0 HA LEU A 62 3.520 -5.747 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.400 -3.354 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.175 -4.450 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 62 3.003 -3.227 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.473 -1.497 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.123 -1.393 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.838 -2.188 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.555 -3.578 2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.845 -4.302 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.464 -5.103 2.296 1.00 0.00 H new ATOM 1101 N VAL A 72 2.567 -12.173 -5.405 1.00 0.00 N ATOM 1102 CA VAL A 72 2.968 -10.793 -5.642 1.00 0.00 C ATOM 1103 C VAL A 72 3.890 -10.778 -6.863 1.00 0.00 C ATOM 1104 O VAL A 72 5.100 -10.964 -6.733 1.00 0.00 O ATOM 1105 CB VAL A 72 3.646 -10.220 -4.381 1.00 0.00 C ATOM 1106 CG1 VAL A 72 4.087 -8.767 -4.609 1.00 0.00 C ATOM 1107 CG2 VAL A 72 2.699 -10.260 -3.175 1.00 0.00 C ATOM 0 HA VAL A 72 2.107 -10.157 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 72 4.518 -10.841 -4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.562 -8.385 -3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.795 -8.727 -5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.217 -8.156 -4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.205 -9.850 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.810 -9.668 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.408 -11.291 -2.975 1.00 0.00 H new ATOM 1117 N GLU A 73 3.307 -10.587 -8.052 1.00 0.00 N ATOM 1118 CA GLU A 73 4.026 -10.641 -9.315 1.00 0.00 C ATOM 1119 C GLU A 73 5.058 -9.520 -9.422 1.00 0.00 C ATOM 1120 O GLU A 73 6.228 -9.799 -9.672 1.00 0.00 O ATOM 1121 CB GLU A 73 3.030 -10.582 -10.482 1.00 0.00 C ATOM 1122 CG GLU A 73 2.304 -11.920 -10.684 1.00 0.00 C ATOM 1123 CD GLU A 73 3.237 -13.048 -11.123 1.00 0.00 C ATOM 1124 OE1 GLU A 73 4.263 -12.733 -11.766 1.00 0.00 O ATOM 1125 OE2 GLU A 73 2.907 -14.210 -10.807 1.00 0.00 O ATOM 0 H GLU A 73 2.312 -10.389 -8.158 1.00 0.00 H new ATOM 0 HA GLU A 73 4.571 -11.584 -9.360 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.298 -9.796 -10.295 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.558 -10.314 -11.397 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.813 -12.204 -9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.521 -11.792 -11.432 1.00 0.00 H new ATOM 1132 N ARG A 74 4.617 -8.266 -9.268 1.00 0.00 N ATOM 1133 CA ARG A 74 5.423 -7.059 -9.431 1.00 0.00 C ATOM 1134 C ARG A 74 4.573 -5.883 -8.957 1.00 0.00 C ATOM 1135 O ARG A 74 3.356 -5.929 -9.092 1.00 0.00 O ATOM 1136 CB ARG A 74 5.808 -6.871 -10.912 1.00 0.00 C ATOM 1137 CG ARG A 74 7.239 -7.330 -11.238 1.00 0.00 C ATOM 1138 CD ARG A 74 7.305 -8.010 -12.612 1.00 0.00 C ATOM 1139 NE ARG A 74 6.570 -9.285 -12.616 1.00 0.00 N ATOM 1140 CZ ARG A 74 6.161 -9.933 -13.720 1.00 0.00 C ATOM 1141 NH1 ARG A 74 6.451 -9.456 -14.941 1.00 0.00 N ATOM 1142 NH2 ARG A 74 5.455 -11.067 -13.615 1.00 0.00 N ATOM 0 H ARG A 74 3.650 -8.060 -9.016 1.00 0.00 H new ATOM 0 HA ARG A 74 6.345 -7.130 -8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.106 -7.426 -11.535 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.704 -5.818 -11.175 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.911 -6.472 -11.221 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.586 -8.022 -10.470 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.888 -7.346 -13.369 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.346 -8.188 -12.882 1.00 0.00 H new ATOM 0 HE ARG A 74 6.355 -9.709 -11.713 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.987 -8.594 -15.038 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.135 -9.956 -15.772 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.226 -11.442 -12.694 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.147 -11.555 -14.456 1.00 0.00 H new ATOM 1156 N VAL A 75 5.194 -4.836 -8.402 1.00 0.00 N ATOM 1157 CA VAL A 75 4.488 -3.647 -7.938 1.00 0.00 C ATOM 1158 C VAL A 75 4.978 -2.411 -8.694 1.00 0.00 C ATOM 1159 O VAL A 75 6.179 -2.149 -8.725 1.00 0.00 O ATOM 1160 CB VAL A 75 4.598 -3.514 -6.408 1.00 0.00 C ATOM 1161 CG1 VAL A 75 6.037 -3.559 -5.885 1.00 0.00 C ATOM 1162 CG2 VAL A 75 3.907 -2.233 -5.919 1.00 0.00 C ATOM 0 H VAL A 75 6.204 -4.794 -8.264 1.00 0.00 H new ATOM 0 HA VAL A 75 3.425 -3.743 -8.158 1.00 0.00 H new ATOM 0 HB VAL A 75 4.089 -4.388 -6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.033 -3.459 -4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.495 -4.509 -6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.609 -2.741 -6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.998 -2.161 -4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.379 -1.366 -6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.852 -2.261 -6.193 1.00 0.00 H new ATOM 1172 N LEU A 76 4.045 -1.655 -9.292 1.00 0.00 N ATOM 1173 CA LEU A 76 4.332 -0.373 -9.927 1.00 0.00 C ATOM 1174 C LEU A 76 3.859 0.753 -9.017 1.00 0.00 C ATOM 1175 O LEU A 76 2.662 0.865 -8.763 1.00 0.00 O ATOM 1176 CB LEU A 76 3.620 -0.273 -11.285 1.00 0.00 C ATOM 1177 CG LEU A 76 3.777 1.109 -11.952 1.00 0.00 C ATOM 1178 CD1 LEU A 76 5.238 1.471 -12.250 1.00 0.00 C ATOM 1179 CD2 LEU A 76 2.983 1.134 -13.263 1.00 0.00 C ATOM 0 H LEU A 76 3.063 -1.925 -9.345 1.00 0.00 H new ATOM 0 HA LEU A 76 5.406 -0.291 -10.092 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.015 -1.039 -11.953 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.560 -0.485 -11.149 1.00 0.00 H new ATOM 0 HG LEU A 76 3.396 1.846 -11.245 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.281 2.454 -12.719 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.806 1.487 -11.320 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.667 0.729 -12.924 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.092 2.110 -13.736 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.362 0.362 -13.932 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.929 0.948 -13.054 1.00 0.00 H new ATOM 1191 N SER A 77 4.790 1.606 -8.577 1.00 0.00 N ATOM 1192 CA SER A 77 4.482 2.848 -7.886 1.00 0.00 C ATOM 1193 C SER A 77 4.622 4.021 -8.853 1.00 0.00 C ATOM 1194 O SER A 77 5.588 4.090 -9.612 1.00 0.00 O ATOM 1195 CB SER A 77 5.434 3.065 -6.710 1.00 0.00 C ATOM 1196 OG SER A 77 5.608 1.877 -5.967 1.00 0.00 O ATOM 0 H SER A 77 5.790 1.445 -8.696 1.00 0.00 H new ATOM 0 HA SER A 77 3.460 2.786 -7.512 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.400 3.410 -7.079 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.042 3.848 -6.061 1.00 0.00 H new ATOM 0 HG SER A 77 6.223 2.044 -5.222 1.00 0.00 H new ATOM 1202 N GLU A 78 3.679 4.958 -8.772 1.00 0.00 N ATOM 1203 CA GLU A 78 3.703 6.244 -9.462 1.00 0.00 C ATOM 1204 C GLU A 78 3.403 7.347 -8.445 1.00 0.00 C ATOM 1205 O GLU A 78 2.743 7.073 -7.444 1.00 0.00 O ATOM 1206 CB GLU A 78 2.663 6.252 -10.591 1.00 0.00 C ATOM 1207 CG GLU A 78 3.186 5.533 -11.845 1.00 0.00 C ATOM 1208 CD GLU A 78 2.187 5.551 -13.000 1.00 0.00 C ATOM 1209 OE1 GLU A 78 1.165 6.265 -12.880 1.00 0.00 O ATOM 1210 OE2 GLU A 78 2.465 4.846 -13.993 1.00 0.00 O ATOM 0 H GLU A 78 2.843 4.836 -8.200 1.00 0.00 H new ATOM 0 HA GLU A 78 4.684 6.415 -9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.749 5.768 -10.248 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.405 7.281 -10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.115 6.004 -12.167 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.424 4.500 -11.593 1.00 0.00 H new ATOM 1217 N PRO A 79 3.861 8.589 -8.676 1.00 0.00 N ATOM 1218 CA PRO A 79 3.596 9.714 -7.791 1.00 0.00 C ATOM 1219 C PRO A 79 2.119 10.111 -7.888 1.00 0.00 C ATOM 1220 O PRO A 79 1.696 10.729 -8.865 1.00 0.00 O ATOM 1221 CB PRO A 79 4.535 10.828 -8.260 1.00 0.00 C ATOM 1222 CG PRO A 79 4.731 10.527 -9.747 1.00 0.00 C ATOM 1223 CD PRO A 79 4.688 9.001 -9.799 1.00 0.00 C ATOM 0 HA PRO A 79 3.777 9.484 -6.741 1.00 0.00 H new ATOM 0 HB2 PRO A 79 4.097 11.814 -8.104 1.00 0.00 H new ATOM 0 HB3 PRO A 79 5.481 10.810 -7.719 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.945 10.974 -10.356 1.00 0.00 H new ATOM 0 HG3 PRO A 79 5.680 10.917 -10.116 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.267 8.654 -10.743 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.690 8.579 -9.722 1.00 0.00 H new ATOM 1231 N HIS A 80 1.333 9.745 -6.871 1.00 0.00 N ATOM 1232 CA HIS A 80 -0.091 10.020 -6.795 1.00 0.00 C ATOM 1233 C HIS A 80 -0.310 11.416 -6.215 1.00 0.00 C ATOM 1234 O HIS A 80 -0.042 11.643 -5.039 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.736 8.942 -5.922 1.00 0.00 C ATOM 1236 CG HIS A 80 -2.237 9.005 -5.842 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -3.038 9.322 -4.775 1.00 0.00 N flip ATOM 1238 CD2 HIS A 80 -3.057 8.664 -6.905 1.00 0.00 C flip ATOM 1239 CE1 HIS A 80 -4.352 9.185 -5.180 1.00 0.00 C flip ATOM 1240 NE2 HIS A 80 -4.318 8.789 -6.462 1.00 0.00 N flip ATOM 0 H HIS A 80 1.686 9.236 -6.060 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.549 9.998 -7.784 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.448 7.964 -6.307 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.329 9.020 -4.914 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.744 8.359 -7.893 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.234 9.362 -4.582 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.146 8.606 -7.028 1.00 0.00 H new ATOM 1249 N HIS A 81 -0.802 12.346 -7.037 1.00 0.00 N ATOM 1250 CA HIS A 81 -1.154 13.698 -6.625 1.00 0.00 C ATOM 1251 C HIS A 81 -2.677 13.816 -6.480 1.00 0.00 C ATOM 1252 O HIS A 81 -3.334 14.262 -7.418 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.602 14.682 -7.669 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.829 16.151 -7.378 1.00 0.00 C ATOM 1255 ND1 HIS A 81 -1.596 16.635 -6.325 1.00 0.00 N ATOM 1256 CD2 HIS A 81 -0.360 17.234 -8.078 1.00 0.00 C ATOM 1257 CE1 HIS A 81 -1.570 17.973 -6.419 1.00 0.00 C ATOM 1258 NE2 HIS A 81 -0.832 18.378 -7.466 1.00 0.00 N ATOM 0 H HIS A 81 -0.969 12.172 -8.028 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.716 13.934 -5.655 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.470 14.513 -7.768 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.052 14.449 -8.634 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -2.083 16.082 -5.620 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.269 17.198 -8.955 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.078 18.640 -5.739 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.257 13.482 -5.314 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.650 13.778 -5.029 1.00 0.00 C ATOM 1269 C PRO A 82 -4.815 15.277 -4.771 1.00 0.00 C ATOM 1270 O PRO A 82 -3.835 15.987 -4.535 1.00 0.00 O ATOM 1271 CB PRO A 82 -4.982 12.967 -3.772 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.650 12.948 -3.027 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.633 12.850 -4.162 1.00 0.00 C ATOM 0 HA PRO A 82 -5.312 13.521 -5.856 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.769 13.437 -3.183 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.324 11.961 -4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.506 13.849 -2.431 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.579 12.100 -2.345 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.703 13.353 -3.897 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.384 11.810 -4.374 1.00 0.00 H new ATOM 1281 N SER A 83 -6.064 15.753 -4.794 1.00 0.00 N ATOM 1282 CA SER A 83 -6.402 17.092 -4.345 1.00 0.00 C ATOM 1283 C SER A 83 -6.361 17.108 -2.819 1.00 0.00 C ATOM 1284 O SER A 83 -7.041 16.308 -2.176 1.00 0.00 O ATOM 1285 CB SER A 83 -7.788 17.495 -4.847 1.00 0.00 C ATOM 1286 OG SER A 83 -7.868 17.346 -6.249 1.00 0.00 O ATOM 0 H SER A 83 -6.864 15.214 -5.126 1.00 0.00 H new ATOM 0 HA SER A 83 -5.685 17.809 -4.746 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.549 16.880 -4.366 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.994 18.530 -4.573 1.00 0.00 H new ATOM 0 HG SER A 83 -8.762 17.606 -6.555 1.00 0.00 H new ATOM 1292 N GLY A 84 -5.547 17.997 -2.245 1.00 0.00 N ATOM 1293 CA GLY A 84 -5.309 18.035 -0.811 1.00 0.00 C ATOM 1294 C GLY A 84 -4.645 16.745 -0.328 1.00 0.00 C ATOM 1295 O GLY A 84 -3.946 16.076 -1.085 1.00 0.00 O ATOM 0 H GLY A 84 -5.037 18.709 -2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.675 18.887 -0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.253 18.180 -0.286 1.00 0.00 H new ATOM 1299 N GLU A 85 -4.897 16.405 0.939 1.00 0.00 N ATOM 1300 CA GLU A 85 -4.514 15.144 1.556 1.00 0.00 C ATOM 1301 C GLU A 85 -5.759 14.503 2.166 1.00 0.00 C ATOM 1302 O GLU A 85 -6.641 15.207 2.654 1.00 0.00 O ATOM 1303 CB GLU A 85 -3.470 15.371 2.658 1.00 0.00 C ATOM 1304 CG GLU A 85 -2.169 15.997 2.140 1.00 0.00 C ATOM 1305 CD GLU A 85 -1.151 16.195 3.263 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -1.207 15.422 4.245 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -0.313 17.113 3.127 1.00 0.00 O ATOM 0 H GLU A 85 -5.391 17.025 1.581 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.079 14.493 0.798 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.896 16.018 3.425 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.242 14.418 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.740 15.358 1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.388 16.958 1.673 1.00 0.00 H new ATOM 1314 N LEU A 86 -5.807 13.167 2.169 1.00 0.00 N ATOM 1315 CA LEU A 86 -6.815 12.425 2.913 1.00 0.00 C ATOM 1316 C LEU A 86 -6.493 12.520 4.408 1.00 0.00 C ATOM 1317 O LEU A 86 -5.349 12.771 4.786 1.00 0.00 O ATOM 1318 CB LEU A 86 -6.859 10.974 2.408 1.00 0.00 C ATOM 1319 CG LEU A 86 -8.024 10.133 2.963 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -9.395 10.728 2.612 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -7.941 8.722 2.379 1.00 0.00 C ATOM 0 H LEU A 86 -5.150 12.578 1.657 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.808 12.848 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.923 10.984 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.920 10.485 2.668 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.932 10.121 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.182 10.098 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.475 11.731 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.503 10.778 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.762 8.119 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.010 8.773 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.992 8.267 2.661 1.00 0.00 H new ATOM 1333 N THR A 87 -7.510 12.340 5.252 1.00 0.00 N ATOM 1334 CA THR A 87 -7.402 12.422 6.698 1.00 0.00 C ATOM 1335 C THR A 87 -6.528 11.299 7.262 1.00 0.00 C ATOM 1336 O THR A 87 -5.577 11.574 7.992 1.00 0.00 O ATOM 1337 CB THR A 87 -8.816 12.389 7.296 1.00 0.00 C ATOM 1338 OG1 THR A 87 -9.604 11.396 6.666 1.00 0.00 O ATOM 1339 CG2 THR A 87 -9.507 13.745 7.116 1.00 0.00 C ATOM 0 H THR A 87 -8.455 12.128 4.933 1.00 0.00 H new ATOM 0 HA THR A 87 -6.913 13.357 6.972 1.00 0.00 H new ATOM 0 HB THR A 87 -8.719 12.161 8.357 1.00 0.00 H new ATOM 0 HG1 THR A 87 -9.390 10.519 7.047 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.508 13.703 7.546 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.928 14.518 7.620 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.578 13.979 6.054 1.00 0.00 H new ATOM 1347 N ASP A 88 -6.880 10.045 6.957 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.336 8.853 7.598 1.00 0.00 C ATOM 1349 C ASP A 88 -6.101 7.729 6.587 1.00 0.00 C ATOM 1350 O ASP A 88 -6.581 7.791 5.456 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.298 8.402 8.710 1.00 0.00 C ATOM 1352 CG ASP A 88 -8.662 7.950 8.187 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -9.304 8.746 7.466 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -9.059 6.818 8.528 1.00 0.00 O ATOM 0 H ASP A 88 -7.570 9.831 6.237 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.366 9.095 8.031 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.841 7.583 9.266 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.440 9.223 9.412 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.356 6.696 7.011 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.232 5.443 6.284 1.00 0.00 C ATOM 1361 C PHE A 89 -6.386 4.534 6.686 1.00 0.00 C ATOM 1362 O PHE A 89 -6.742 4.479 7.863 1.00 0.00 O ATOM 1363 CB PHE A 89 -3.884 4.778 6.539 1.00 0.00 C ATOM 1364 CG PHE A 89 -3.698 3.465 5.803 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -3.267 3.453 4.462 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -4.020 2.256 6.445 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -3.155 2.233 3.771 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -3.925 1.040 5.748 1.00 0.00 C ATOM 1369 CZ PHE A 89 -3.491 1.028 4.413 1.00 0.00 C ATOM 0 H PHE A 89 -4.821 6.717 7.879 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.279 5.640 5.213 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.090 5.464 6.244 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.773 4.602 7.609 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.023 4.380 3.965 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.341 2.262 7.476 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.811 2.222 2.747 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.186 0.114 6.239 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.415 0.093 3.879 1.00 0.00 H new ATOM 1379 N ARG A 90 -6.982 3.846 5.707 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.248 3.154 5.916 1.00 0.00 C ATOM 1381 C ARG A 90 -8.502 2.067 4.865 1.00 0.00 C ATOM 1382 O ARG A 90 -7.610 1.700 4.103 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.383 4.191 6.032 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.601 5.027 4.762 1.00 0.00 C ATOM 1385 CD ARG A 90 -10.454 6.264 5.058 1.00 0.00 C ATOM 1386 NE ARG A 90 -11.764 5.897 5.618 1.00 0.00 N ATOM 1387 CZ ARG A 90 -12.391 6.475 6.658 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -11.853 7.497 7.339 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -13.595 6.015 7.026 1.00 0.00 N ATOM 0 H ARG A 90 -6.604 3.756 4.764 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.206 2.606 6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.310 3.673 6.277 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.164 4.862 6.863 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.638 5.334 4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.089 4.418 4.001 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.927 6.911 5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.597 6.836 4.141 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.249 5.120 5.169 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.938 7.861 7.073 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.359 7.910 8.123 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.021 5.239 6.520 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.085 6.441 7.812 1.00 0.00 H new ATOM 1403 N ILE A 91 -9.729 1.527 4.879 1.00 0.00 N ATOM 1404 CA ILE A 91 -10.169 0.349 4.143 1.00 0.00 C ATOM 1405 C ILE A 91 -9.428 -0.883 4.680 1.00 0.00 C ATOM 1406 O ILE A 91 -9.568 -1.193 5.862 1.00 0.00 O ATOM 1407 CB ILE A 91 -10.136 0.537 2.607 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -10.663 1.920 2.183 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -11.007 -0.547 1.951 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -10.700 2.096 0.662 1.00 0.00 C ATOM 0 H ILE A 91 -10.480 1.930 5.440 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.231 0.181 4.324 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.098 0.457 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -11.666 2.062 2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.032 2.694 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -10.989 -0.422 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -10.618 -1.532 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.032 -0.457 2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.080 3.089 0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.694 1.984 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -11.353 1.341 0.224 1.00 0.00 H new