USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 722 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 Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.0703) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.393 K(o=0.39,f=-0.64) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -28:sc= 0.144 USER MOD Single : A 23 THR OG1 : rot -105:sc= 0.412 USER MOD Single : A 24 GLN : amide:sc= -0.191 K(o=-0.19,f=-1.2!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0397) USER MOD Single : A 33 THR OG1 : rot -170:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 145:sc= 0.00835 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -1.27 K(o=-1.3,f=-5.2!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -177:sc= 0 (180deg=-0.0061) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.26) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.419 23.059 0.767 1.00 0.00 N ATOM 2 CA MET A 1 3.495 21.745 0.105 1.00 0.00 C ATOM 3 C MET A 1 4.808 21.050 0.462 1.00 0.00 C ATOM 4 O MET A 1 5.874 21.573 0.145 1.00 0.00 O ATOM 5 CB MET A 1 3.360 21.895 -1.419 1.00 0.00 C ATOM 6 CG MET A 1 3.095 20.551 -2.115 1.00 0.00 C ATOM 7 SD MET A 1 4.242 20.106 -3.451 1.00 0.00 S ATOM 8 CE MET A 1 4.026 21.505 -4.585 1.00 0.00 C ATOM 0 H1 MET A 1 2.522 23.522 0.517 1.00 0.00 H new ATOM 0 H2 MET A 1 3.467 22.932 1.798 1.00 0.00 H new ATOM 0 H3 MET A 1 4.214 23.652 0.454 1.00 0.00 H new ATOM 0 HA MET A 1 2.667 21.131 0.459 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.546 22.585 -1.643 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.272 22.336 -1.821 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.122 19.763 -1.362 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.084 20.568 -2.522 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.512 21.282 -5.535 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.963 21.676 -4.753 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.473 22.399 -4.150 1.00 0.00 H new ATOM 20 N SER A 2 4.730 19.893 1.132 1.00 0.00 N ATOM 21 CA SER A 2 5.892 19.142 1.598 1.00 0.00 C ATOM 22 C SER A 2 5.712 17.641 1.334 1.00 0.00 C ATOM 23 O SER A 2 6.656 16.972 0.922 1.00 0.00 O ATOM 24 CB SER A 2 6.122 19.442 3.086 1.00 0.00 C ATOM 25 OG SER A 2 7.404 19.006 3.486 1.00 0.00 O ATOM 0 H SER A 2 3.842 19.450 1.367 1.00 0.00 H new ATOM 0 HA SER A 2 6.777 19.453 1.044 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.023 20.512 3.267 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.359 18.945 3.685 1.00 0.00 H new ATOM 0 HG SER A 2 7.536 19.206 4.436 1.00 0.00 H new ATOM 31 N LYS A 3 4.503 17.116 1.581 1.00 0.00 N ATOM 32 CA LYS A 3 4.180 15.701 1.445 1.00 0.00 C ATOM 33 C LYS A 3 4.221 15.212 -0.010 1.00 0.00 C ATOM 34 O LYS A 3 4.034 15.990 -0.944 1.00 0.00 O ATOM 35 CB LYS A 3 2.814 15.414 2.095 1.00 0.00 C ATOM 36 CG LYS A 3 1.594 15.596 1.175 1.00 0.00 C ATOM 37 CD LYS A 3 1.413 17.001 0.585 1.00 0.00 C ATOM 38 CE LYS A 3 0.960 18.037 1.625 1.00 0.00 C ATOM 39 NZ LYS A 3 -0.245 18.760 1.181 1.00 0.00 N ATOM 0 H LYS A 3 3.711 17.681 1.887 1.00 0.00 H new ATOM 0 HA LYS A 3 4.953 15.137 1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.816 14.390 2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.697 16.068 2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.671 14.884 0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.696 15.339 1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.354 17.327 0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.680 16.959 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.757 17.538 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.766 18.748 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.523 19.451 1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.043 19.256 0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.021 18.083 1.033 1.00 0.00 H new ATOM 53 N VAL A 4 4.451 13.907 -0.180 1.00 0.00 N ATOM 54 CA VAL A 4 4.640 13.270 -1.473 1.00 0.00 C ATOM 55 C VAL A 4 3.927 11.924 -1.452 1.00 0.00 C ATOM 56 O VAL A 4 4.496 10.912 -1.048 1.00 0.00 O ATOM 57 CB VAL A 4 6.146 13.174 -1.806 1.00 0.00 C ATOM 58 CG1 VAL A 4 7.040 12.637 -0.684 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.380 12.369 -3.093 1.00 0.00 C ATOM 0 H VAL A 4 4.511 13.254 0.601 1.00 0.00 H new ATOM 0 HA VAL A 4 4.201 13.862 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 4 6.451 14.211 -1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.075 12.612 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.960 13.287 0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.721 11.630 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.449 12.319 -3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.987 11.360 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.871 12.856 -3.925 1.00 0.00 H new ATOM 69 N CYS A 5 2.659 11.919 -1.866 1.00 0.00 N ATOM 70 CA CYS A 5 1.891 10.685 -1.950 1.00 0.00 C ATOM 71 C CYS A 5 2.262 9.908 -3.218 1.00 0.00 C ATOM 72 O CYS A 5 2.715 10.496 -4.198 1.00 0.00 O ATOM 73 CB CYS A 5 0.379 10.943 -1.854 1.00 0.00 C ATOM 74 SG CYS A 5 -0.200 12.211 -0.685 1.00 0.00 S ATOM 0 H CYS A 5 2.147 12.755 -2.147 1.00 0.00 H new ATOM 0 HA CYS A 5 2.151 10.067 -1.091 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.024 11.218 -2.847 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.104 10.002 -1.592 1.00 0.00 H new ATOM 79 N ILE A 6 2.095 8.578 -3.187 1.00 0.00 N ATOM 80 CA ILE A 6 2.484 7.701 -4.289 1.00 0.00 C ATOM 81 C ILE A 6 1.466 6.571 -4.407 1.00 0.00 C ATOM 82 O ILE A 6 0.889 6.161 -3.400 1.00 0.00 O ATOM 83 CB ILE A 6 3.909 7.132 -4.123 1.00 0.00 C ATOM 84 CG1 ILE A 6 4.239 6.594 -2.721 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.985 8.123 -4.600 1.00 0.00 C ATOM 86 CD1 ILE A 6 4.615 7.675 -1.703 1.00 0.00 C ATOM 0 H ILE A 6 1.685 8.084 -2.394 1.00 0.00 H new ATOM 0 HA ILE A 6 2.496 8.294 -5.203 1.00 0.00 H new ATOM 0 HB ILE A 6 3.921 6.258 -4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.378 6.041 -2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.063 5.885 -2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.972 7.681 -4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.830 8.349 -5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.916 9.042 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.832 7.210 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.496 8.214 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.785 8.372 -1.589 1.00 0.00 H new ATOM 98 N ILE A 7 1.261 6.072 -5.631 1.00 0.00 N ATOM 99 CA ILE A 7 0.383 4.939 -5.909 1.00 0.00 C ATOM 100 C ILE A 7 1.224 3.707 -6.256 1.00 0.00 C ATOM 101 O ILE A 7 2.113 3.785 -7.103 1.00 0.00 O ATOM 102 CB ILE A 7 -0.654 5.306 -6.986 1.00 0.00 C ATOM 103 CG1 ILE A 7 -1.647 4.152 -7.218 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.029 5.724 -8.321 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.087 4.666 -7.244 1.00 0.00 C ATOM 0 H ILE A 7 1.708 6.452 -6.465 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.194 4.685 -5.019 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.184 6.174 -6.595 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.418 3.654 -8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.537 3.408 -6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.819 5.968 -9.032 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.605 6.598 -8.168 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.572 4.904 -8.714 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.768 3.831 -7.409 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.321 5.142 -6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.200 5.391 -8.050 1.00 0.00 H new ATOM 117 N ALA A 8 0.950 2.592 -5.567 1.00 0.00 N ATOM 118 CA ALA A 8 1.666 1.327 -5.663 1.00 0.00 C ATOM 119 C ALA A 8 0.697 0.208 -6.063 1.00 0.00 C ATOM 120 O ALA A 8 -0.041 -0.302 -5.223 1.00 0.00 O ATOM 121 CB ALA A 8 2.329 1.031 -4.313 1.00 0.00 C ATOM 0 H ALA A 8 0.183 2.553 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 8 2.438 1.388 -6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.869 0.086 -4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.026 1.832 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.564 0.965 -3.539 1.00 0.00 H new ATOM 127 N TRP A 9 0.709 -0.177 -7.344 1.00 0.00 N ATOM 128 CA TRP A 9 -0.101 -1.260 -7.896 1.00 0.00 C ATOM 129 C TRP A 9 0.612 -2.599 -7.727 1.00 0.00 C ATOM 130 O TRP A 9 1.725 -2.748 -8.219 1.00 0.00 O ATOM 131 CB TRP A 9 -0.332 -1.007 -9.389 1.00 0.00 C ATOM 132 CG TRP A 9 -1.348 0.040 -9.704 1.00 0.00 C ATOM 133 CD1 TRP A 9 -2.679 -0.140 -9.591 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.171 1.398 -10.211 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.345 1.010 -9.951 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.462 1.992 -10.350 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.061 2.190 -10.578 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -2.639 3.304 -10.809 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.237 3.480 -11.111 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.520 4.045 -11.214 1.00 0.00 C ATOM 0 H TRP A 9 1.301 0.272 -8.043 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.052 -1.292 -7.365 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.616 -0.720 -9.844 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -0.640 -1.942 -9.857 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.154 -1.054 -9.265 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.359 1.121 -9.926 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.938 1.800 -10.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.626 3.740 -10.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.623 4.042 -11.445 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.643 5.045 -11.603 1.00 0.00 H new ATOM 151 N VAL A 10 -0.032 -3.573 -7.071 1.00 0.00 N ATOM 152 CA VAL A 10 0.530 -4.894 -6.800 1.00 0.00 C ATOM 153 C VAL A 10 -0.220 -5.945 -7.632 1.00 0.00 C ATOM 154 O VAL A 10 -1.429 -6.107 -7.465 1.00 0.00 O ATOM 155 CB VAL A 10 0.442 -5.218 -5.294 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.388 -6.376 -4.947 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.807 -4.035 -4.383 1.00 0.00 C ATOM 0 H VAL A 10 -0.978 -3.458 -6.708 1.00 0.00 H new ATOM 0 HA VAL A 10 1.583 -4.905 -7.082 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.602 -5.476 -5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.318 -6.596 -3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.107 -7.260 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.412 -6.095 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.722 -4.339 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.831 -3.721 -4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.128 -3.205 -4.575 1.00 0.00 H new ATOM 167 N TYR A 11 0.493 -6.662 -8.513 1.00 0.00 N ATOM 168 CA TYR A 11 -0.038 -7.749 -9.336 1.00 0.00 C ATOM 169 C TYR A 11 0.143 -9.098 -8.634 1.00 0.00 C ATOM 170 O TYR A 11 0.755 -9.183 -7.570 1.00 0.00 O ATOM 171 CB TYR A 11 0.632 -7.759 -10.720 1.00 0.00 C ATOM 172 CG TYR A 11 0.337 -6.552 -11.593 1.00 0.00 C ATOM 173 CD1 TYR A 11 0.984 -5.323 -11.359 1.00 0.00 C ATOM 174 CD2 TYR A 11 -0.534 -6.681 -12.692 1.00 0.00 C ATOM 175 CE1 TYR A 11 0.765 -4.236 -12.222 1.00 0.00 C ATOM 176 CE2 TYR A 11 -0.739 -5.597 -13.563 1.00 0.00 C ATOM 177 CZ TYR A 11 -0.087 -4.375 -13.330 1.00 0.00 C ATOM 178 OH TYR A 11 -0.275 -3.323 -14.179 1.00 0.00 O ATOM 0 H TYR A 11 1.486 -6.493 -8.674 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.106 -7.581 -9.477 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.711 -7.832 -10.583 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.317 -8.657 -11.252 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.649 -5.216 -10.515 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.046 -7.616 -12.866 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.253 -3.291 -12.033 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.398 -5.704 -14.412 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.892 -3.586 -14.893 1.00 0.00 H new ATOM 188 N GLY A 12 -0.396 -10.160 -9.247 1.00 0.00 N ATOM 189 CA GLY A 12 -0.352 -11.505 -8.708 1.00 0.00 C ATOM 190 C GLY A 12 -1.389 -11.697 -7.606 1.00 0.00 C ATOM 191 O GLY A 12 -2.300 -10.888 -7.445 1.00 0.00 O ATOM 0 H GLY A 12 -0.879 -10.097 -10.143 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.530 -12.225 -9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.643 -11.708 -8.313 1.00 0.00 H new ATOM 195 N ARG A 13 -1.262 -12.804 -6.871 1.00 0.00 N ATOM 196 CA ARG A 13 -2.284 -13.261 -5.938 1.00 0.00 C ATOM 197 C ARG A 13 -2.152 -12.583 -4.581 1.00 0.00 C ATOM 198 O ARG A 13 -1.545 -13.125 -3.661 1.00 0.00 O ATOM 199 CB ARG A 13 -2.260 -14.777 -5.766 1.00 0.00 C ATOM 200 CG ARG A 13 -2.229 -15.522 -7.102 1.00 0.00 C ATOM 201 CD ARG A 13 -3.028 -16.819 -6.981 1.00 0.00 C ATOM 202 NE ARG A 13 -2.694 -17.742 -8.068 1.00 0.00 N ATOM 203 CZ ARG A 13 -3.244 -18.956 -8.224 1.00 0.00 C ATOM 204 NH1 ARG A 13 -4.249 -19.354 -7.432 1.00 0.00 N ATOM 205 NH2 ARG A 13 -2.775 -19.775 -9.174 1.00 0.00 N ATOM 0 H ARG A 13 -0.442 -13.409 -6.909 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.244 -12.981 -6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.387 -15.058 -5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.139 -15.089 -5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.649 -14.896 -7.889 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.199 -15.742 -7.384 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.820 -17.291 -6.021 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.095 -16.597 -7.002 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.998 -17.443 -8.751 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.601 -18.733 -6.704 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.662 -20.278 -7.557 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.005 -19.474 -9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.187 -20.700 -9.299 1.00 0.00 H new ATOM 219 N VAL A 14 -2.734 -11.391 -4.480 1.00 0.00 N ATOM 220 CA VAL A 14 -2.624 -10.527 -3.314 1.00 0.00 C ATOM 221 C VAL A 14 -4.001 -10.373 -2.662 1.00 0.00 C ATOM 222 O VAL A 14 -4.129 -10.506 -1.445 1.00 0.00 O ATOM 223 CB VAL A 14 -2.009 -9.182 -3.734 1.00 0.00 C ATOM 224 CG1 VAL A 14 -1.647 -8.351 -2.495 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.725 -9.379 -4.551 1.00 0.00 C ATOM 0 H VAL A 14 -3.307 -10.993 -5.224 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.962 -10.966 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.755 -8.670 -4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.213 -7.402 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.546 -8.163 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.925 -8.898 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.319 -8.407 -4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.008 -9.920 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.951 -9.950 -5.452 1.00 0.00 H new ATOM 235 N GLN A 15 -5.036 -10.100 -3.470 1.00 0.00 N ATOM 236 CA GLN A 15 -6.401 -9.964 -2.981 1.00 0.00 C ATOM 237 C GLN A 15 -6.961 -11.307 -2.512 1.00 0.00 C ATOM 238 O GLN A 15 -6.632 -12.357 -3.061 1.00 0.00 O ATOM 239 CB GLN A 15 -7.313 -9.309 -4.024 1.00 0.00 C ATOM 240 CG GLN A 15 -7.509 -10.078 -5.331 1.00 0.00 C ATOM 241 CD GLN A 15 -8.568 -9.370 -6.170 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.626 -9.930 -6.443 1.00 0.00 O ATOM 243 NE2 GLN A 15 -8.305 -8.120 -6.551 1.00 0.00 N ATOM 0 H GLN A 15 -4.943 -9.969 -4.477 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.372 -9.301 -2.117 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.291 -9.149 -3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.908 -8.326 -4.263 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.569 -10.133 -5.880 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.817 -11.103 -5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.414 -7.689 -6.305 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.995 -7.595 -7.089 1.00 0.00 H new ATOM 252 N GLY A 16 -7.814 -11.251 -1.484 1.00 0.00 N ATOM 253 CA GLY A 16 -8.479 -12.410 -0.909 1.00 0.00 C ATOM 254 C GLY A 16 -7.523 -13.360 -0.183 1.00 0.00 C ATOM 255 O GLY A 16 -7.869 -14.521 0.023 1.00 0.00 O ATOM 0 H GLY A 16 -8.062 -10.376 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.244 -12.071 -0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.991 -12.956 -1.701 1.00 0.00 H new ATOM 259 N VAL A 17 -6.343 -12.870 0.224 1.00 0.00 N ATOM 260 CA VAL A 17 -5.368 -13.614 1.015 1.00 0.00 C ATOM 261 C VAL A 17 -5.395 -13.105 2.457 1.00 0.00 C ATOM 262 O VAL A 17 -5.346 -13.900 3.394 1.00 0.00 O ATOM 263 CB VAL A 17 -3.970 -13.486 0.387 1.00 0.00 C ATOM 264 CG1 VAL A 17 -2.924 -14.219 1.238 1.00 0.00 C ATOM 265 CG2 VAL A 17 -3.963 -14.070 -1.031 1.00 0.00 C ATOM 0 H VAL A 17 -6.038 -11.922 0.004 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.624 -14.674 1.024 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.719 -12.426 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.942 -14.116 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.901 -13.787 2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.185 -15.275 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.966 -13.971 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.238 -15.124 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.680 -13.531 -1.650 1.00 0.00 H new ATOM 275 N GLY A 18 -5.471 -11.779 2.620 1.00 0.00 N ATOM 276 CA GLY A 18 -5.450 -11.081 3.891 1.00 0.00 C ATOM 277 C GLY A 18 -4.199 -10.218 4.026 1.00 0.00 C ATOM 278 O GLY A 18 -3.738 -9.979 5.139 1.00 0.00 O ATOM 0 H GLY A 18 -5.552 -11.143 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.338 -10.455 3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.486 -11.804 4.706 1.00 0.00 H new ATOM 282 N PHE A 19 -3.666 -9.737 2.893 1.00 0.00 N ATOM 283 CA PHE A 19 -2.500 -8.867 2.835 1.00 0.00 C ATOM 284 C PHE A 19 -2.655 -7.654 3.758 1.00 0.00 C ATOM 285 O PHE A 19 -1.686 -7.215 4.371 1.00 0.00 O ATOM 286 CB PHE A 19 -2.275 -8.427 1.382 1.00 0.00 C ATOM 287 CG PHE A 19 -0.814 -8.234 1.041 1.00 0.00 C ATOM 288 CD1 PHE A 19 -0.042 -9.339 0.635 1.00 0.00 C ATOM 289 CD2 PHE A 19 -0.200 -6.984 1.232 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.327 -9.179 0.359 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.180 -6.843 1.020 1.00 0.00 C ATOM 292 CZ PHE A 19 1.935 -7.927 0.547 1.00 0.00 C ATOM 0 H PHE A 19 -4.050 -9.952 1.973 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.629 -9.421 3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.703 -9.173 0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.810 -7.494 1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.502 -10.311 0.535 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.789 -6.134 1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.909 -10.016 0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.662 -5.898 1.221 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.985 -7.798 0.327 1.00 0.00 H new ATOM 302 N ARG A 20 -3.882 -7.127 3.859 1.00 0.00 N ATOM 303 CA ARG A 20 -4.237 -5.970 4.669 1.00 0.00 C ATOM 304 C ARG A 20 -4.295 -6.300 6.169 1.00 0.00 C ATOM 305 O ARG A 20 -5.322 -6.094 6.814 1.00 0.00 O ATOM 306 CB ARG A 20 -5.560 -5.376 4.151 1.00 0.00 C ATOM 307 CG ARG A 20 -6.765 -6.333 4.256 1.00 0.00 C ATOM 308 CD ARG A 20 -7.298 -6.773 2.888 1.00 0.00 C ATOM 309 NE ARG A 20 -8.550 -7.528 3.044 1.00 0.00 N ATOM 310 CZ ARG A 20 -9.070 -8.391 2.153 1.00 0.00 C ATOM 311 NH1 ARG A 20 -8.425 -8.689 1.017 1.00 0.00 N ATOM 312 NH2 ARG A 20 -10.259 -8.957 2.403 1.00 0.00 N ATOM 0 H ARG A 20 -4.681 -7.515 3.357 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.452 -5.221 4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.782 -4.468 4.711 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.431 -5.084 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.474 -7.214 4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.565 -5.843 4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.469 -5.899 2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.555 -7.389 2.382 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.073 -7.384 3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.522 -8.259 0.815 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.836 -9.346 0.354 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.760 -8.732 3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.662 -9.613 1.734 1.00 0.00 H new ATOM 326 N TYR A 21 -3.180 -6.788 6.724 1.00 0.00 N ATOM 327 CA TYR A 21 -3.055 -7.177 8.121 1.00 0.00 C ATOM 328 C TYR A 21 -2.204 -6.145 8.861 1.00 0.00 C ATOM 329 O TYR A 21 -2.738 -5.325 9.606 1.00 0.00 O ATOM 330 CB TYR A 21 -2.484 -8.601 8.201 1.00 0.00 C ATOM 331 CG TYR A 21 -2.688 -9.271 9.544 1.00 0.00 C ATOM 332 CD1 TYR A 21 -3.920 -9.889 9.828 1.00 0.00 C ATOM 333 CD2 TYR A 21 -1.660 -9.282 10.504 1.00 0.00 C ATOM 334 CE1 TYR A 21 -4.121 -10.527 11.063 1.00 0.00 C ATOM 335 CE2 TYR A 21 -1.861 -9.922 11.739 1.00 0.00 C ATOM 336 CZ TYR A 21 -3.090 -10.548 12.018 1.00 0.00 C ATOM 337 OH TYR A 21 -3.279 -11.175 13.215 1.00 0.00 O ATOM 0 H TYR A 21 -2.320 -6.925 6.194 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.029 -7.195 8.611 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.949 -9.212 7.427 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.417 -8.567 7.982 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.713 -9.873 9.095 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.717 -8.799 10.292 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.067 -11.001 11.279 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.071 -9.933 12.475 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.467 -11.096 13.757 1.00 0.00 H new ATOM 347 N THR A 22 -0.883 -6.168 8.636 1.00 0.00 N ATOM 348 CA THR A 22 0.045 -5.239 9.267 1.00 0.00 C ATOM 349 C THR A 22 -0.035 -3.841 8.650 1.00 0.00 C ATOM 350 O THR A 22 0.412 -2.892 9.285 1.00 0.00 O ATOM 351 CB THR A 22 1.477 -5.798 9.257 1.00 0.00 C ATOM 352 OG1 THR A 22 2.301 -5.008 10.090 1.00 0.00 O ATOM 353 CG2 THR A 22 2.079 -5.842 7.851 1.00 0.00 C ATOM 0 H THR A 22 -0.434 -6.835 8.009 1.00 0.00 H new ATOM 0 HA THR A 22 -0.255 -5.131 10.309 1.00 0.00 H new ATOM 0 HB THR A 22 1.425 -6.822 9.627 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.949 -4.094 10.126 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.091 -6.245 7.901 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.466 -6.478 7.213 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.110 -4.834 7.437 1.00 0.00 H new ATOM 361 N THR A 23 -0.598 -3.702 7.436 1.00 0.00 N ATOM 362 CA THR A 23 -0.757 -2.419 6.752 1.00 0.00 C ATOM 363 C THR A 23 -1.260 -1.314 7.695 1.00 0.00 C ATOM 364 O THR A 23 -0.757 -0.196 7.645 1.00 0.00 O ATOM 365 CB THR A 23 -1.657 -2.588 5.514 1.00 0.00 C ATOM 366 OG1 THR A 23 -1.532 -1.458 4.674 1.00 0.00 O ATOM 367 CG2 THR A 23 -3.138 -2.788 5.847 1.00 0.00 C ATOM 0 H THR A 23 -0.958 -4.492 6.901 1.00 0.00 H new ATOM 0 HA THR A 23 0.226 -2.091 6.413 1.00 0.00 H new ATOM 0 HB THR A 23 -1.314 -3.495 5.016 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.331 -0.897 4.760 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.707 -2.899 4.924 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.256 -3.684 6.456 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.507 -1.923 6.398 1.00 0.00 H new ATOM 375 N GLN A 24 -2.215 -1.645 8.578 1.00 0.00 N ATOM 376 CA GLN A 24 -2.748 -0.752 9.599 1.00 0.00 C ATOM 377 C GLN A 24 -1.662 -0.445 10.633 1.00 0.00 C ATOM 378 O GLN A 24 -1.321 0.714 10.854 1.00 0.00 O ATOM 379 CB GLN A 24 -3.954 -1.416 10.278 1.00 0.00 C ATOM 380 CG GLN A 24 -5.132 -1.611 9.309 1.00 0.00 C ATOM 381 CD GLN A 24 -6.233 -0.566 9.425 1.00 0.00 C ATOM 382 OE1 GLN A 24 -6.455 0.031 10.476 1.00 0.00 O ATOM 383 NE2 GLN A 24 -6.965 -0.380 8.329 1.00 0.00 N ATOM 0 H GLN A 24 -2.645 -2.570 8.595 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.068 0.182 9.138 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.654 -2.383 10.682 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.276 -0.804 11.121 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.750 -1.604 8.288 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.566 -2.596 9.480 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.747 -0.896 7.477 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.744 0.279 8.342 1.00 0.00 H new ATOM 392 N TYR A 25 -1.145 -1.499 11.277 1.00 0.00 N ATOM 393 CA TYR A 25 -0.179 -1.412 12.362 1.00 0.00 C ATOM 394 C TYR A 25 1.029 -0.562 11.965 1.00 0.00 C ATOM 395 O TYR A 25 1.326 0.429 12.627 1.00 0.00 O ATOM 396 CB TYR A 25 0.234 -2.829 12.800 1.00 0.00 C ATOM 397 CG TYR A 25 0.215 -3.032 14.302 1.00 0.00 C ATOM 398 CD1 TYR A 25 1.256 -2.516 15.096 1.00 0.00 C ATOM 399 CD2 TYR A 25 -0.861 -3.705 14.913 1.00 0.00 C ATOM 400 CE1 TYR A 25 1.246 -2.713 16.488 1.00 0.00 C ATOM 401 CE2 TYR A 25 -0.871 -3.902 16.305 1.00 0.00 C ATOM 402 CZ TYR A 25 0.189 -3.416 17.091 1.00 0.00 C ATOM 403 OH TYR A 25 0.194 -3.628 18.439 1.00 0.00 O ATOM 0 H TYR A 25 -1.399 -2.459 11.046 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.644 -0.912 13.212 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.436 -3.553 12.336 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.237 -3.037 12.427 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.064 -1.968 14.635 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.680 -4.070 14.311 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.051 -2.324 17.094 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.692 -4.426 16.770 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.609 -4.128 18.694 1.00 0.00 H new ATOM 413 N GLU A 26 1.710 -0.945 10.878 1.00 0.00 N ATOM 414 CA GLU A 26 2.865 -0.226 10.356 1.00 0.00 C ATOM 415 C GLU A 26 2.506 1.232 10.077 1.00 0.00 C ATOM 416 O GLU A 26 3.206 2.136 10.530 1.00 0.00 O ATOM 417 CB GLU A 26 3.384 -0.906 9.076 1.00 0.00 C ATOM 418 CG GLU A 26 4.675 -1.695 9.330 1.00 0.00 C ATOM 419 CD GLU A 26 5.817 -0.789 9.794 1.00 0.00 C ATOM 420 OE1 GLU A 26 6.174 0.123 9.015 1.00 0.00 O ATOM 421 OE2 GLU A 26 6.298 -1.011 10.925 1.00 0.00 O ATOM 0 H GLU A 26 1.467 -1.773 10.334 1.00 0.00 H new ATOM 0 HA GLU A 26 3.655 -0.248 11.106 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.619 -1.577 8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.565 -0.150 8.311 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.490 -2.460 10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.970 -2.212 8.417 1.00 0.00 H new ATOM 428 N ALA A 27 1.412 1.451 9.337 1.00 0.00 N ATOM 429 CA ALA A 27 0.954 2.787 8.982 1.00 0.00 C ATOM 430 C ALA A 27 0.784 3.678 10.210 1.00 0.00 C ATOM 431 O ALA A 27 1.077 4.869 10.147 1.00 0.00 O ATOM 432 CB ALA A 27 -0.367 2.701 8.211 1.00 0.00 C ATOM 0 H ALA A 27 0.824 0.702 8.971 1.00 0.00 H new ATOM 0 HA ALA A 27 1.718 3.239 8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.702 3.705 7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.220 2.119 7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.120 2.218 8.833 1.00 0.00 H new ATOM 438 N LYS A 28 0.324 3.096 11.324 1.00 0.00 N ATOM 439 CA LYS A 28 0.123 3.810 12.575 1.00 0.00 C ATOM 440 C LYS A 28 1.445 4.334 13.154 1.00 0.00 C ATOM 441 O LYS A 28 1.446 5.378 13.804 1.00 0.00 O ATOM 442 CB LYS A 28 -0.624 2.903 13.564 1.00 0.00 C ATOM 443 CG LYS A 28 -1.171 3.685 14.761 1.00 0.00 C ATOM 444 CD LYS A 28 -1.964 2.742 15.675 1.00 0.00 C ATOM 445 CE LYS A 28 -2.406 3.443 16.965 1.00 0.00 C ATOM 446 NZ LYS A 28 -1.273 3.685 17.877 1.00 0.00 N ATOM 0 H LYS A 28 0.081 2.107 11.375 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.488 4.692 12.383 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.446 2.406 13.050 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.049 2.122 13.918 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.351 4.140 15.316 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.812 4.496 14.416 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.840 2.371 15.143 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.352 1.875 15.923 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.881 4.392 16.717 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.155 2.834 17.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.629 4.051 18.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.762 2.794 18.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.628 4.381 17.452 1.00 0.00 H new ATOM 460 N ARG A 29 2.567 3.637 12.918 1.00 0.00 N ATOM 461 CA ARG A 29 3.883 4.062 13.385 1.00 0.00 C ATOM 462 C ARG A 29 4.327 5.330 12.659 1.00 0.00 C ATOM 463 O ARG A 29 4.734 6.297 13.299 1.00 0.00 O ATOM 464 CB ARG A 29 4.933 2.955 13.187 1.00 0.00 C ATOM 465 CG ARG A 29 4.545 1.601 13.792 1.00 0.00 C ATOM 466 CD ARG A 29 4.466 1.641 15.325 1.00 0.00 C ATOM 467 NE ARG A 29 5.539 0.856 15.951 1.00 0.00 N ATOM 468 CZ ARG A 29 5.593 -0.487 15.968 1.00 0.00 C ATOM 469 NH1 ARG A 29 4.638 -1.214 15.371 1.00 0.00 N ATOM 470 NH2 ARG A 29 6.609 -1.103 16.586 1.00 0.00 N ATOM 0 H ARG A 29 2.580 2.761 12.396 1.00 0.00 H new ATOM 0 HA ARG A 29 3.800 4.270 14.452 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.110 2.825 12.119 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.875 3.281 13.629 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.581 1.290 13.390 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.274 0.849 13.489 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.528 2.675 15.665 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.499 1.256 15.649 1.00 0.00 H new ATOM 0 HE ARG A 29 6.297 1.366 16.405 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.863 -0.748 14.899 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.687 -2.233 15.389 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.338 -0.553 17.041 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.654 -2.122 16.601 1.00 0.00 H new ATOM 484 N LEU A 30 4.253 5.321 11.323 1.00 0.00 N ATOM 485 CA LEU A 30 4.637 6.464 10.502 1.00 0.00 C ATOM 486 C LEU A 30 3.622 7.601 10.650 1.00 0.00 C ATOM 487 O LEU A 30 3.989 8.768 10.523 1.00 0.00 O ATOM 488 CB LEU A 30 4.757 6.014 9.042 1.00 0.00 C ATOM 489 CG LEU A 30 6.120 5.395 8.683 1.00 0.00 C ATOM 490 CD1 LEU A 30 6.696 4.428 9.726 1.00 0.00 C ATOM 491 CD2 LEU A 30 5.953 4.639 7.365 1.00 0.00 C ATOM 0 H LEU A 30 3.925 4.519 10.785 1.00 0.00 H new ATOM 0 HA LEU A 30 5.602 6.845 10.836 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.973 5.286 8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.578 6.871 8.393 1.00 0.00 H new ATOM 0 HG LEU A 30 6.828 6.221 8.625 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.656 4.048 9.378 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.834 4.953 10.671 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.007 3.596 9.870 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.904 4.187 7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.202 3.858 7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.634 5.332 6.586 1.00 0.00 H new ATOM 503 N GLY A 31 2.354 7.265 10.911 1.00 0.00 N ATOM 504 CA GLY A 31 1.269 8.223 11.044 1.00 0.00 C ATOM 505 C GLY A 31 0.788 8.752 9.694 1.00 0.00 C ATOM 506 O GLY A 31 0.130 9.788 9.641 1.00 0.00 O ATOM 0 H GLY A 31 2.055 6.298 11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.435 7.753 11.565 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.600 9.058 11.661 1.00 0.00 H new ATOM 510 N LEU A 32 1.111 8.039 8.608 1.00 0.00 N ATOM 511 CA LEU A 32 0.668 8.371 7.264 1.00 0.00 C ATOM 512 C LEU A 32 -0.777 7.931 7.040 1.00 0.00 C ATOM 513 O LEU A 32 -1.391 7.303 7.902 1.00 0.00 O ATOM 514 CB LEU A 32 1.629 7.798 6.216 1.00 0.00 C ATOM 515 CG LEU A 32 1.353 6.370 5.717 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.495 5.949 4.804 1.00 0.00 C ATOM 517 CD2 LEU A 32 1.236 5.350 6.846 1.00 0.00 C ATOM 0 H LEU A 32 1.696 7.205 8.647 1.00 0.00 H new ATOM 0 HA LEU A 32 0.686 9.455 7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.625 8.464 5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.636 7.822 6.632 1.00 0.00 H new ATOM 0 HG LEU A 32 0.396 6.388 5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.316 4.937 4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.556 6.633 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.433 5.974 5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.041 4.363 6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.167 5.326 7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.416 5.631 7.507 1.00 0.00 H new ATOM 529 N THR A 33 -1.314 8.282 5.871 1.00 0.00 N ATOM 530 CA THR A 33 -2.710 8.073 5.545 1.00 0.00 C ATOM 531 C THR A 33 -2.789 7.117 4.355 1.00 0.00 C ATOM 532 O THR A 33 -1.803 6.446 4.051 1.00 0.00 O ATOM 533 CB THR A 33 -3.335 9.442 5.261 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.737 10.034 4.126 1.00 0.00 O ATOM 535 CG2 THR A 33 -3.186 10.386 6.463 1.00 0.00 C ATOM 0 H THR A 33 -0.780 8.723 5.122 1.00 0.00 H new ATOM 0 HA THR A 33 -3.268 7.616 6.363 1.00 0.00 H new ATOM 0 HB THR A 33 -4.397 9.282 5.072 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.031 10.966 4.050 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.640 11.349 6.228 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.684 9.952 7.330 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.128 10.528 6.685 1.00 0.00 H new ATOM 543 N GLY A 34 -3.928 7.073 3.654 1.00 0.00 N ATOM 544 CA GLY A 34 -4.040 6.368 2.387 1.00 0.00 C ATOM 545 C GLY A 34 -5.110 5.298 2.439 1.00 0.00 C ATOM 546 O GLY A 34 -6.034 5.370 3.245 1.00 0.00 O ATOM 0 H GLY A 34 -4.791 7.526 3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.273 7.078 1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.081 5.913 2.137 1.00 0.00 H new ATOM 550 N TYR A 35 -4.958 4.297 1.570 1.00 0.00 N ATOM 551 CA TYR A 35 -5.795 3.107 1.600 1.00 0.00 C ATOM 552 C TYR A 35 -5.275 2.005 0.680 1.00 0.00 C ATOM 553 O TYR A 35 -4.532 2.276 -0.263 1.00 0.00 O ATOM 554 CB TYR A 35 -7.249 3.435 1.237 1.00 0.00 C ATOM 555 CG TYR A 35 -7.442 3.836 -0.210 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.322 5.185 -0.595 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.590 2.842 -1.193 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.386 5.539 -1.954 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.571 3.191 -2.550 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.517 4.540 -2.933 1.00 0.00 C ATOM 561 OH TYR A 35 -7.594 4.877 -4.253 1.00 0.00 O ATOM 0 H TYR A 35 -4.254 4.292 0.832 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.757 2.738 2.625 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.872 2.566 1.450 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.600 4.243 1.878 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.181 5.949 0.155 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.718 1.810 -0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.335 6.578 -2.245 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.598 2.419 -3.304 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.681 4.064 -4.794 1.00 0.00 H new ATOM 571 N ALA A 36 -5.721 0.772 0.953 1.00 0.00 N ATOM 572 CA ALA A 36 -5.370 -0.425 0.201 1.00 0.00 C ATOM 573 C ALA A 36 -6.628 -1.066 -0.390 1.00 0.00 C ATOM 574 O ALA A 36 -7.284 -1.848 0.299 1.00 0.00 O ATOM 575 CB ALA A 36 -4.648 -1.384 1.152 1.00 0.00 C ATOM 0 H ALA A 36 -6.355 0.581 1.729 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.713 -0.177 -0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.373 -2.291 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.749 -0.905 1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.308 -1.640 1.981 1.00 0.00 H new ATOM 581 N LYS A 37 -6.971 -0.746 -1.648 1.00 0.00 N ATOM 582 CA LYS A 37 -8.093 -1.340 -2.347 1.00 0.00 C ATOM 583 C LYS A 37 -7.644 -2.481 -3.246 1.00 0.00 C ATOM 584 O LYS A 37 -6.451 -2.714 -3.416 1.00 0.00 O ATOM 585 CB LYS A 37 -8.843 -0.281 -3.158 1.00 0.00 C ATOM 586 CG LYS A 37 -8.176 0.077 -4.493 1.00 0.00 C ATOM 587 CD LYS A 37 -8.927 1.193 -5.238 1.00 0.00 C ATOM 588 CE LYS A 37 -9.688 0.709 -6.482 1.00 0.00 C ATOM 589 NZ LYS A 37 -10.863 -0.117 -6.154 1.00 0.00 N ATOM 0 H LYS A 37 -6.463 -0.058 -2.204 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.771 -1.751 -1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.854 -0.638 -3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.935 0.623 -2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.149 0.392 -4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.130 -0.811 -5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.632 1.663 -4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.213 1.961 -5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.009 1.573 -7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.011 0.134 -7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.620 0.067 -6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.601 -1.123 -6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.199 0.121 -5.199 1.00 0.00 H new ATOM 603 N ASN A 38 -8.627 -3.163 -3.843 1.00 0.00 N ATOM 604 CA ASN A 38 -8.410 -4.287 -4.739 1.00 0.00 C ATOM 605 C ASN A 38 -9.055 -3.997 -6.097 1.00 0.00 C ATOM 606 O ASN A 38 -10.147 -3.432 -6.157 1.00 0.00 O ATOM 607 CB ASN A 38 -8.924 -5.581 -4.094 1.00 0.00 C ATOM 608 CG ASN A 38 -8.307 -5.920 -2.739 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.525 -5.176 -2.156 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.669 -7.087 -2.221 1.00 0.00 N ATOM 0 H ASN A 38 -9.613 -2.939 -3.709 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.344 -4.428 -4.915 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.005 -5.504 -3.975 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.737 -6.409 -4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.295 -7.382 -1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.321 -7.688 -2.725 1.00 0.00 H new ATOM 617 N LEU A 39 -8.357 -4.370 -7.179 1.00 0.00 N ATOM 618 CA LEU A 39 -8.835 -4.313 -8.555 1.00 0.00 C ATOM 619 C LEU A 39 -9.814 -5.456 -8.823 1.00 0.00 C ATOM 620 O LEU A 39 -10.023 -6.329 -7.982 1.00 0.00 O ATOM 621 CB LEU A 39 -7.648 -4.383 -9.544 1.00 0.00 C ATOM 622 CG LEU A 39 -6.986 -3.027 -9.849 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.857 -3.203 -10.874 1.00 0.00 C ATOM 624 CD2 LEU A 39 -8.005 -2.037 -10.432 1.00 0.00 C ATOM 0 H LEU A 39 -7.406 -4.733 -7.109 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.353 -3.365 -8.702 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.894 -5.057 -9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.997 -4.820 -10.479 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.590 -2.639 -8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.398 -2.236 -11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.105 -3.883 -10.474 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.265 -3.615 -11.797 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.512 -1.087 -10.639 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.417 -2.441 -11.357 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.810 -1.879 -9.715 1.00 0.00 H new ATOM 636 N ASP A 40 -10.405 -5.441 -10.021 1.00 0.00 N ATOM 637 CA ASP A 40 -11.364 -6.431 -10.491 1.00 0.00 C ATOM 638 C ASP A 40 -10.697 -7.481 -11.391 1.00 0.00 C ATOM 639 O ASP A 40 -11.401 -8.260 -12.032 1.00 0.00 O ATOM 640 CB ASP A 40 -12.498 -5.696 -11.217 1.00 0.00 C ATOM 641 CG ASP A 40 -13.228 -4.739 -10.276 1.00 0.00 C ATOM 642 OD1 ASP A 40 -14.184 -5.206 -9.620 1.00 0.00 O ATOM 643 OD2 ASP A 40 -12.805 -3.564 -10.214 1.00 0.00 O ATOM 0 H ASP A 40 -10.219 -4.712 -10.710 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.772 -6.979 -9.642 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.092 -5.140 -12.062 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.204 -6.421 -11.622 1.00 0.00 H new ATOM 648 N ASP A 41 -9.355 -7.511 -11.432 1.00 0.00 N ATOM 649 CA ASP A 41 -8.566 -8.415 -12.266 1.00 0.00 C ATOM 650 C ASP A 41 -7.681 -9.345 -11.423 1.00 0.00 C ATOM 651 O ASP A 41 -7.027 -10.225 -11.977 1.00 0.00 O ATOM 652 CB ASP A 41 -7.731 -7.580 -13.248 1.00 0.00 C ATOM 653 CG ASP A 41 -7.517 -8.298 -14.580 1.00 0.00 C ATOM 654 OD1 ASP A 41 -6.593 -9.136 -14.644 1.00 0.00 O ATOM 655 OD2 ASP A 41 -8.283 -7.986 -15.519 1.00 0.00 O ATOM 0 H ASP A 41 -8.778 -6.887 -10.868 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.241 -9.063 -12.825 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.229 -6.627 -13.427 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.764 -7.355 -12.799 1.00 0.00 H new ATOM 660 N GLY A 42 -7.661 -9.165 -10.092 1.00 0.00 N ATOM 661 CA GLY A 42 -6.937 -10.001 -9.150 1.00 0.00 C ATOM 662 C GLY A 42 -5.787 -9.294 -8.428 1.00 0.00 C ATOM 663 O GLY A 42 -4.948 -9.964 -7.831 1.00 0.00 O ATOM 0 H GLY A 42 -8.169 -8.406 -9.638 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.638 -10.380 -8.406 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.539 -10.865 -9.682 1.00 0.00 H new ATOM 667 N SER A 43 -5.737 -7.961 -8.495 1.00 0.00 N ATOM 668 CA SER A 43 -4.615 -7.127 -8.050 1.00 0.00 C ATOM 669 C SER A 43 -5.015 -6.195 -6.894 1.00 0.00 C ATOM 670 O SER A 43 -6.197 -6.090 -6.580 1.00 0.00 O ATOM 671 CB SER A 43 -4.076 -6.323 -9.247 1.00 0.00 C ATOM 672 OG SER A 43 -4.857 -6.493 -10.416 1.00 0.00 O ATOM 0 H SER A 43 -6.507 -7.411 -8.876 1.00 0.00 H new ATOM 0 HA SER A 43 -3.830 -7.779 -7.667 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.047 -5.265 -8.985 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.050 -6.629 -9.453 1.00 0.00 H new ATOM 0 HG SER A 43 -4.475 -5.961 -11.145 1.00 0.00 H new ATOM 678 N VAL A 44 -4.027 -5.554 -6.243 1.00 0.00 N ATOM 679 CA VAL A 44 -4.227 -4.715 -5.054 1.00 0.00 C ATOM 680 C VAL A 44 -3.531 -3.353 -5.204 1.00 0.00 C ATOM 681 O VAL A 44 -2.316 -3.318 -5.368 1.00 0.00 O ATOM 682 CB VAL A 44 -3.731 -5.494 -3.819 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.754 -4.653 -2.534 1.00 0.00 C ATOM 684 CG2 VAL A 44 -4.644 -6.710 -3.591 1.00 0.00 C ATOM 0 H VAL A 44 -3.051 -5.608 -6.536 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.287 -4.494 -4.930 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.700 -5.784 -4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.394 -5.254 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.110 -3.782 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.774 -4.325 -2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.299 -7.266 -2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.666 -6.371 -3.424 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.615 -7.357 -4.468 1.00 0.00 H new ATOM 694 N GLU A 45 -4.279 -2.239 -5.127 1.00 0.00 N ATOM 695 CA GLU A 45 -3.747 -0.881 -5.271 1.00 0.00 C ATOM 696 C GLU A 45 -3.593 -0.205 -3.907 1.00 0.00 C ATOM 697 O GLU A 45 -4.590 0.011 -3.218 1.00 0.00 O ATOM 698 CB GLU A 45 -4.644 0.002 -6.150 1.00 0.00 C ATOM 699 CG GLU A 45 -5.436 -0.739 -7.227 1.00 0.00 C ATOM 700 CD GLU A 45 -6.111 0.267 -8.158 1.00 0.00 C ATOM 701 OE1 GLU A 45 -6.761 1.191 -7.624 1.00 0.00 O ATOM 702 OE2 GLU A 45 -5.950 0.113 -9.386 1.00 0.00 O ATOM 0 H GLU A 45 -5.285 -2.262 -4.960 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.774 -0.985 -5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.346 0.533 -5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.022 0.756 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.772 -1.388 -7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.186 -1.380 -6.763 1.00 0.00 H new ATOM 709 N VAL A 46 -2.359 0.151 -3.535 1.00 0.00 N ATOM 710 CA VAL A 46 -2.047 0.754 -2.245 1.00 0.00 C ATOM 711 C VAL A 46 -1.597 2.201 -2.439 1.00 0.00 C ATOM 712 O VAL A 46 -0.824 2.475 -3.352 1.00 0.00 O ATOM 713 CB VAL A 46 -0.961 -0.080 -1.553 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.666 0.477 -0.155 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.405 -1.545 -1.436 1.00 0.00 C ATOM 0 H VAL A 46 -1.542 0.025 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.935 0.765 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.055 -0.027 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.107 -0.126 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.321 1.508 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.574 0.446 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.624 -2.124 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.323 -1.601 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.584 -1.951 -2.431 1.00 0.00 H new ATOM 725 N VAL A 47 -2.065 3.121 -1.585 1.00 0.00 N ATOM 726 CA VAL A 47 -1.733 4.545 -1.663 1.00 0.00 C ATOM 727 C VAL A 47 -1.278 5.050 -0.290 1.00 0.00 C ATOM 728 O VAL A 47 -1.807 4.583 0.716 1.00 0.00 O ATOM 729 CB VAL A 47 -2.960 5.358 -2.112 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.532 6.723 -2.664 1.00 0.00 C ATOM 731 CG2 VAL A 47 -3.810 4.637 -3.169 1.00 0.00 C ATOM 0 H VAL A 47 -2.691 2.892 -0.813 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.930 4.672 -2.389 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.576 5.485 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.414 7.282 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.005 7.280 -1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.872 6.579 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.659 5.264 -3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.203 4.442 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.172 3.693 -2.762 1.00 0.00 H new ATOM 741 N ALA A 48 -0.307 5.979 -0.245 1.00 0.00 N ATOM 742 CA ALA A 48 0.279 6.432 1.020 1.00 0.00 C ATOM 743 C ALA A 48 0.907 7.820 0.876 1.00 0.00 C ATOM 744 O ALA A 48 1.679 8.020 -0.057 1.00 0.00 O ATOM 745 CB ALA A 48 1.383 5.441 1.390 1.00 0.00 C ATOM 0 H ALA A 48 0.086 6.428 -1.072 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.500 6.485 1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.845 5.745 2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.955 4.445 1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.137 5.426 0.603 1.00 0.00 H new ATOM 751 N CYS A 49 0.615 8.746 1.801 1.00 0.00 N ATOM 752 CA CYS A 49 1.140 10.113 1.810 1.00 0.00 C ATOM 753 C CYS A 49 2.299 10.284 2.790 1.00 0.00 C ATOM 754 O CYS A 49 2.708 9.335 3.453 1.00 0.00 O ATOM 755 CB CYS A 49 -0.017 11.068 2.120 1.00 0.00 C ATOM 756 SG CYS A 49 -1.225 11.219 0.780 1.00 0.00 S ATOM 0 H CYS A 49 -0.011 8.556 2.584 1.00 0.00 H new ATOM 0 HA CYS A 49 1.555 10.345 0.829 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.528 10.724 3.019 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.389 12.055 2.342 1.00 0.00 H new ATOM 761 N GLY A 50 2.833 11.508 2.868 1.00 0.00 N ATOM 762 CA GLY A 50 3.914 11.878 3.768 1.00 0.00 C ATOM 763 C GLY A 50 5.250 11.855 3.034 1.00 0.00 C ATOM 764 O GLY A 50 5.281 11.904 1.805 1.00 0.00 O ATOM 0 H GLY A 50 2.512 12.284 2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.733 12.873 4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.944 11.189 4.612 1.00 0.00 H new ATOM 768 N GLU A 51 6.354 11.802 3.788 1.00 0.00 N ATOM 769 CA GLU A 51 7.697 11.833 3.224 1.00 0.00 C ATOM 770 C GLU A 51 8.031 10.487 2.593 1.00 0.00 C ATOM 771 O GLU A 51 7.935 9.464 3.266 1.00 0.00 O ATOM 772 CB GLU A 51 8.726 12.168 4.308 1.00 0.00 C ATOM 773 CG GLU A 51 8.383 13.478 5.024 1.00 0.00 C ATOM 774 CD GLU A 51 9.641 14.157 5.554 1.00 0.00 C ATOM 775 OE1 GLU A 51 10.391 13.475 6.286 1.00 0.00 O ATOM 776 OE2 GLU A 51 9.836 15.341 5.203 1.00 0.00 O ATOM 0 H GLU A 51 6.335 11.736 4.806 1.00 0.00 H new ATOM 0 HA GLU A 51 7.732 12.606 2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.768 11.356 5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.716 12.246 3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.866 14.148 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.699 13.278 5.849 1.00 0.00 H new ATOM 783 N GLU A 52 8.443 10.493 1.320 1.00 0.00 N ATOM 784 CA GLU A 52 8.734 9.290 0.548 1.00 0.00 C ATOM 785 C GLU A 52 9.649 8.354 1.336 1.00 0.00 C ATOM 786 O GLU A 52 9.331 7.182 1.511 1.00 0.00 O ATOM 787 CB GLU A 52 9.357 9.656 -0.811 1.00 0.00 C ATOM 788 CG GLU A 52 8.607 8.948 -1.946 1.00 0.00 C ATOM 789 CD GLU A 52 9.178 9.248 -3.330 1.00 0.00 C ATOM 790 OE1 GLU A 52 10.112 10.075 -3.412 1.00 0.00 O ATOM 791 OE2 GLU A 52 8.659 8.640 -4.292 1.00 0.00 O ATOM 0 H GLU A 52 8.585 11.354 0.792 1.00 0.00 H new ATOM 0 HA GLU A 52 7.797 8.766 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.319 10.735 -0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.409 9.369 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.636 7.872 -1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.559 9.247 -1.921 1.00 0.00 H new ATOM 798 N GLY A 53 10.754 8.907 1.849 1.00 0.00 N ATOM 799 CA GLY A 53 11.730 8.238 2.681 1.00 0.00 C ATOM 800 C GLY A 53 11.112 7.442 3.834 1.00 0.00 C ATOM 801 O GLY A 53 11.576 6.342 4.128 1.00 0.00 O ATOM 0 H GLY A 53 10.993 9.884 1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.322 7.564 2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.416 8.980 3.090 1.00 0.00 H new ATOM 805 N GLN A 54 10.074 7.989 4.482 1.00 0.00 N ATOM 806 CA GLN A 54 9.360 7.332 5.565 1.00 0.00 C ATOM 807 C GLN A 54 8.403 6.275 5.030 1.00 0.00 C ATOM 808 O GLN A 54 8.390 5.154 5.530 1.00 0.00 O ATOM 809 CB GLN A 54 8.570 8.345 6.396 1.00 0.00 C ATOM 810 CG GLN A 54 9.455 9.048 7.433 1.00 0.00 C ATOM 811 CD GLN A 54 8.614 9.600 8.580 1.00 0.00 C ATOM 812 OE1 GLN A 54 8.374 10.801 8.662 1.00 0.00 O ATOM 813 NE2 GLN A 54 8.166 8.713 9.473 1.00 0.00 N ATOM 0 H GLN A 54 9.708 8.915 4.259 1.00 0.00 H new ATOM 0 HA GLN A 54 10.107 6.852 6.197 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.125 9.089 5.735 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.750 7.837 6.903 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.193 8.347 7.822 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.006 9.859 6.957 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.390 7.724 9.366 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.600 9.025 10.262 1.00 0.00 H new ATOM 822 N VAL A 55 7.597 6.630 4.027 1.00 0.00 N ATOM 823 CA VAL A 55 6.662 5.703 3.402 1.00 0.00 C ATOM 824 C VAL A 55 7.378 4.437 2.922 1.00 0.00 C ATOM 825 O VAL A 55 6.857 3.336 3.096 1.00 0.00 O ATOM 826 CB VAL A 55 5.883 6.385 2.264 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.873 5.397 1.668 1.00 0.00 C ATOM 828 CG2 VAL A 55 5.129 7.620 2.766 1.00 0.00 C ATOM 0 H VAL A 55 7.577 7.569 3.628 1.00 0.00 H new ATOM 0 HA VAL A 55 5.935 5.398 4.155 1.00 0.00 H new ATOM 0 HB VAL A 55 6.602 6.699 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.322 5.882 0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.402 4.529 1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.176 5.077 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.589 8.078 1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.422 7.324 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.839 8.337 3.178 1.00 0.00 H new ATOM 838 N GLU A 56 8.582 4.582 2.361 1.00 0.00 N ATOM 839 CA GLU A 56 9.358 3.462 1.856 1.00 0.00 C ATOM 840 C GLU A 56 9.722 2.455 2.954 1.00 0.00 C ATOM 841 O GLU A 56 9.881 1.271 2.656 1.00 0.00 O ATOM 842 CB GLU A 56 10.595 3.954 1.091 1.00 0.00 C ATOM 843 CG GLU A 56 10.666 3.272 -0.281 1.00 0.00 C ATOM 844 CD GLU A 56 11.934 3.632 -1.049 1.00 0.00 C ATOM 845 OE1 GLU A 56 12.427 4.765 -0.856 1.00 0.00 O ATOM 846 OE2 GLU A 56 12.383 2.760 -1.824 1.00 0.00 O ATOM 0 H GLU A 56 9.041 5.486 2.247 1.00 0.00 H new ATOM 0 HA GLU A 56 8.725 2.921 1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.550 5.036 0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.497 3.736 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.620 2.191 -0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.795 3.558 -0.870 1.00 0.00 H new ATOM 853 N LYS A 57 9.826 2.902 4.215 1.00 0.00 N ATOM 854 CA LYS A 57 10.135 2.026 5.338 1.00 0.00 C ATOM 855 C LYS A 57 9.078 0.927 5.466 1.00 0.00 C ATOM 856 O LYS A 57 9.432 -0.245 5.579 1.00 0.00 O ATOM 857 CB LYS A 57 10.257 2.806 6.656 1.00 0.00 C ATOM 858 CG LYS A 57 11.205 4.010 6.611 1.00 0.00 C ATOM 859 CD LYS A 57 12.630 3.663 6.170 1.00 0.00 C ATOM 860 CE LYS A 57 13.564 4.866 6.376 1.00 0.00 C ATOM 861 NZ LYS A 57 14.690 4.535 7.269 1.00 0.00 N ATOM 0 H LYS A 57 9.697 3.879 4.477 1.00 0.00 H new ATOM 0 HA LYS A 57 11.103 1.567 5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.266 3.154 6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.598 2.123 7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.796 4.756 5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.243 4.467 7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.996 2.809 6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.631 3.370 5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.949 5.197 5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.999 5.698 6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.299 5.370 7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.323 4.243 8.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.244 3.758 6.856 1.00 0.00 H new ATOM 875 N LEU A 58 7.788 1.290 5.427 1.00 0.00 N ATOM 876 CA LEU A 58 6.712 0.307 5.503 1.00 0.00 C ATOM 877 C LEU A 58 6.585 -0.481 4.196 1.00 0.00 C ATOM 878 O LEU A 58 6.197 -1.648 4.224 1.00 0.00 O ATOM 879 CB LEU A 58 5.393 0.953 5.960 1.00 0.00 C ATOM 880 CG LEU A 58 4.445 1.446 4.849 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.405 0.376 4.483 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.689 2.689 5.314 1.00 0.00 C ATOM 0 H LEU A 58 7.471 2.256 5.343 1.00 0.00 H new ATOM 0 HA LEU A 58 6.968 -0.423 6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.854 0.230 6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.633 1.799 6.603 1.00 0.00 H new ATOM 0 HG LEU A 58 5.061 1.670 3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.753 0.756 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.914 -0.521 4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.809 0.132 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.023 3.028 4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.104 2.448 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.400 3.480 5.552 1.00 0.00 H new ATOM 894 N MET A 59 6.915 0.140 3.054 1.00 0.00 N ATOM 895 CA MET A 59 6.802 -0.497 1.746 1.00 0.00 C ATOM 896 C MET A 59 7.792 -1.643 1.570 1.00 0.00 C ATOM 897 O MET A 59 7.557 -2.508 0.727 1.00 0.00 O ATOM 898 CB MET A 59 6.937 0.520 0.612 1.00 0.00 C ATOM 899 CG MET A 59 5.870 1.618 0.686 1.00 0.00 C ATOM 900 SD MET A 59 4.552 1.489 -0.551 1.00 0.00 S ATOM 901 CE MET A 59 3.163 2.145 0.411 1.00 0.00 C ATOM 0 H MET A 59 7.267 1.097 3.018 1.00 0.00 H new ATOM 0 HA MET A 59 5.801 -0.927 1.698 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.927 0.975 0.651 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.860 0.005 -0.346 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.419 1.600 1.678 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.358 2.586 0.575 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.251 2.089 -0.183 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.041 1.557 1.321 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.361 3.184 0.674 1.00 0.00 H new ATOM 911 N GLN A 60 8.867 -1.684 2.367 1.00 0.00 N ATOM 912 CA GLN A 60 9.731 -2.850 2.450 1.00 0.00 C ATOM 913 C GLN A 60 8.872 -4.117 2.582 1.00 0.00 C ATOM 914 O GLN A 60 9.041 -5.052 1.812 1.00 0.00 O ATOM 915 CB GLN A 60 10.719 -2.681 3.612 1.00 0.00 C ATOM 916 CG GLN A 60 11.685 -1.505 3.358 1.00 0.00 C ATOM 917 CD GLN A 60 13.128 -1.970 3.177 1.00 0.00 C ATOM 918 OE1 GLN A 60 13.853 -2.140 4.154 1.00 0.00 O ATOM 919 NE2 GLN A 60 13.556 -2.169 1.928 1.00 0.00 N ATOM 0 H GLN A 60 9.154 -0.910 2.966 1.00 0.00 H new ATOM 0 HA GLN A 60 10.321 -2.952 1.539 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.170 -2.510 4.538 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.289 -3.601 3.745 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.366 -0.961 2.469 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.632 -0.807 4.194 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.924 -2.017 1.142 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.515 -2.473 1.760 1.00 0.00 H new ATOM 928 N TRP A 61 7.922 -4.132 3.535 1.00 0.00 N ATOM 929 CA TRP A 61 7.056 -5.276 3.749 1.00 0.00 C ATOM 930 C TRP A 61 6.192 -5.603 2.509 1.00 0.00 C ATOM 931 O TRP A 61 6.023 -6.781 2.189 1.00 0.00 O ATOM 932 CB TRP A 61 6.214 -5.065 5.002 1.00 0.00 C ATOM 933 CG TRP A 61 4.992 -5.919 5.069 1.00 0.00 C ATOM 934 CD1 TRP A 61 4.915 -7.224 5.398 1.00 0.00 C ATOM 935 CD2 TRP A 61 3.656 -5.518 4.681 1.00 0.00 C ATOM 936 NE1 TRP A 61 3.616 -7.669 5.223 1.00 0.00 N ATOM 937 CE2 TRP A 61 2.803 -6.653 4.767 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.106 -4.305 4.244 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.441 -6.577 4.428 1.00 0.00 C ATOM 940 CZ3 TRP A 61 1.731 -4.205 3.949 1.00 0.00 C ATOM 941 CH2 TRP A 61 0.905 -5.342 4.035 1.00 0.00 C ATOM 0 H TRP A 61 7.744 -3.351 4.167 1.00 0.00 H new ATOM 0 HA TRP A 61 7.686 -6.152 3.905 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.831 -5.264 5.878 1.00 0.00 H new ATOM 0 HB3 TRP A 61 5.915 -4.018 5.053 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.740 -7.829 5.745 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.302 -8.622 5.407 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.741 -3.439 4.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.816 -7.457 4.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.310 -3.254 3.656 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -0.146 -5.263 3.797 1.00 0.00 H new ATOM 952 N LEU A 62 5.633 -4.586 1.831 1.00 0.00 N ATOM 953 CA LEU A 62 4.791 -4.762 0.645 1.00 0.00 C ATOM 954 C LEU A 62 5.520 -5.586 -0.414 1.00 0.00 C ATOM 955 O LEU A 62 4.998 -6.603 -0.867 1.00 0.00 O ATOM 956 CB LEU A 62 4.331 -3.408 0.063 1.00 0.00 C ATOM 957 CG LEU A 62 3.018 -2.912 0.691 1.00 0.00 C ATOM 958 CD1 LEU A 62 2.972 -1.386 0.793 1.00 0.00 C ATOM 959 CD2 LEU A 62 1.812 -3.360 -0.143 1.00 0.00 C ATOM 0 H LEU A 62 5.757 -3.609 2.098 1.00 0.00 H new ATOM 0 HA LEU A 62 3.897 -5.304 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.111 -2.664 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.200 -3.505 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 62 2.976 -3.344 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.027 -1.080 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.798 -1.038 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.058 -0.952 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.894 -2.998 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.895 -2.953 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.788 -4.449 -0.193 1.00 0.00 H new ATOM 971 N LYS A 63 6.730 -5.162 -0.798 1.00 0.00 N ATOM 972 CA LYS A 63 7.516 -5.890 -1.784 1.00 0.00 C ATOM 973 C LYS A 63 8.039 -7.223 -1.233 1.00 0.00 C ATOM 974 O LYS A 63 8.119 -8.191 -1.987 1.00 0.00 O ATOM 975 CB LYS A 63 8.640 -5.010 -2.347 1.00 0.00 C ATOM 976 CG LYS A 63 8.100 -3.927 -3.301 1.00 0.00 C ATOM 977 CD LYS A 63 8.030 -2.511 -2.711 1.00 0.00 C ATOM 978 CE LYS A 63 9.425 -1.947 -2.403 1.00 0.00 C ATOM 979 NZ LYS A 63 9.418 -0.473 -2.334 1.00 0.00 N ATOM 0 H LYS A 63 7.180 -4.320 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 63 6.855 -6.143 -2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.175 -4.535 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.359 -5.635 -2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.730 -3.902 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.101 -4.217 -3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.519 -1.851 -3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.436 -2.528 -1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.780 -2.353 -1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.126 -2.271 -3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.377 -0.131 -2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.103 -0.084 -3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.768 -0.164 -1.583 1.00 0.00 H new ATOM 993 N SER A 64 8.365 -7.301 0.065 1.00 0.00 N ATOM 994 CA SER A 64 8.789 -8.548 0.696 1.00 0.00 C ATOM 995 C SER A 64 7.675 -9.603 0.685 1.00 0.00 C ATOM 996 O SER A 64 7.970 -10.796 0.641 1.00 0.00 O ATOM 997 CB SER A 64 9.270 -8.281 2.127 1.00 0.00 C ATOM 998 OG SER A 64 9.758 -9.468 2.721 1.00 0.00 O ATOM 0 H SER A 64 8.341 -6.503 0.700 1.00 0.00 H new ATOM 0 HA SER A 64 9.618 -8.950 0.113 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.055 -7.525 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.450 -7.881 2.723 1.00 0.00 H new ATOM 0 HG SER A 64 10.062 -9.277 3.633 1.00 0.00 H new ATOM 1004 N GLY A 65 6.406 -9.180 0.756 1.00 0.00 N ATOM 1005 CA GLY A 65 5.267 -10.083 0.806 1.00 0.00 C ATOM 1006 C GLY A 65 5.109 -10.779 2.160 1.00 0.00 C ATOM 1007 O GLY A 65 4.341 -11.733 2.249 1.00 0.00 O ATOM 0 H GLY A 65 6.148 -8.194 0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.358 -9.524 0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.375 -10.838 0.027 1.00 0.00 H new ATOM 1011 N GLY A 66 5.818 -10.307 3.199 1.00 0.00 N ATOM 1012 CA GLY A 66 5.872 -10.896 4.532 1.00 0.00 C ATOM 1013 C GLY A 66 6.093 -12.416 4.496 1.00 0.00 C ATOM 1014 O GLY A 66 7.215 -12.846 4.229 1.00 0.00 O ATOM 0 H GLY A 66 6.392 -9.467 3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.677 -10.429 5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.943 -10.680 5.059 1.00 0.00 H new ATOM 1018 N PRO A 67 5.060 -13.236 4.766 1.00 0.00 N ATOM 1019 CA PRO A 67 5.146 -14.696 4.753 1.00 0.00 C ATOM 1020 C PRO A 67 5.274 -15.265 3.332 1.00 0.00 C ATOM 1021 O PRO A 67 5.306 -14.521 2.354 1.00 0.00 O ATOM 1022 CB PRO A 67 3.849 -15.167 5.427 1.00 0.00 C ATOM 1023 CG PRO A 67 2.861 -14.063 5.056 1.00 0.00 C ATOM 1024 CD PRO A 67 3.728 -12.814 5.172 1.00 0.00 C ATOM 0 HA PRO A 67 6.038 -15.045 5.272 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.529 -16.140 5.054 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.964 -15.262 6.507 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.463 -14.192 4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.008 -14.033 5.734 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.355 -12.015 4.531 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.730 -12.429 6.192 1.00 0.00 H new ATOM 1032 N ARG A 68 5.336 -16.601 3.218 1.00 0.00 N ATOM 1033 CA ARG A 68 5.402 -17.298 1.934 1.00 0.00 C ATOM 1034 C ARG A 68 4.094 -17.171 1.146 1.00 0.00 C ATOM 1035 O ARG A 68 4.111 -17.237 -0.082 1.00 0.00 O ATOM 1036 CB ARG A 68 5.798 -18.774 2.120 1.00 0.00 C ATOM 1037 CG ARG A 68 4.723 -19.624 2.817 1.00 0.00 C ATOM 1038 CD ARG A 68 5.121 -21.105 2.892 1.00 0.00 C ATOM 1039 NE ARG A 68 4.621 -21.875 1.740 1.00 0.00 N ATOM 1040 CZ ARG A 68 4.505 -23.216 1.717 1.00 0.00 C ATOM 1041 NH1 ARG A 68 4.983 -23.962 2.724 1.00 0.00 N ATOM 1042 NH2 ARG A 68 3.900 -23.819 0.684 1.00 0.00 N ATOM 0 H ARG A 68 5.342 -17.228 4.023 1.00 0.00 H new ATOM 0 HA ARG A 68 6.181 -16.813 1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.014 -19.208 1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.719 -18.823 2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.555 -19.242 3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.780 -19.529 2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.207 -21.186 2.937 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.731 -21.538 3.813 1.00 0.00 H new ATOM 0 HE ARG A 68 4.345 -21.358 0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.440 -23.514 3.518 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.889 -24.977 2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.527 -23.262 -0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.812 -24.835 0.667 1.00 0.00 H new ATOM 1056 N SER A 69 2.964 -17.017 1.850 1.00 0.00 N ATOM 1057 CA SER A 69 1.652 -16.861 1.240 1.00 0.00 C ATOM 1058 C SER A 69 1.568 -15.552 0.450 1.00 0.00 C ATOM 1059 O SER A 69 2.352 -14.632 0.670 1.00 0.00 O ATOM 1060 CB SER A 69 0.554 -16.960 2.304 1.00 0.00 C ATOM 1061 OG SER A 69 0.793 -16.076 3.378 1.00 0.00 O ATOM 0 H SER A 69 2.943 -16.998 2.870 1.00 0.00 H new ATOM 0 HA SER A 69 1.497 -17.673 0.529 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.412 -16.734 1.853 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.500 -17.982 2.678 1.00 0.00 H new ATOM 0 HG SER A 69 0.074 -16.162 4.039 1.00 0.00 H new ATOM 1067 N ALA A 70 0.625 -15.523 -0.499 1.00 0.00 N ATOM 1068 CA ALA A 70 0.501 -14.540 -1.570 1.00 0.00 C ATOM 1069 C ALA A 70 1.562 -14.774 -2.647 1.00 0.00 C ATOM 1070 O ALA A 70 2.584 -15.414 -2.398 1.00 0.00 O ATOM 1071 CB ALA A 70 0.525 -13.092 -1.059 1.00 0.00 C ATOM 0 H ALA A 70 -0.112 -16.227 -0.538 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.482 -14.684 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.429 -12.407 -1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.304 -12.936 -0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.467 -12.904 -0.544 1.00 0.00 H new ATOM 1077 N ARG A 71 1.301 -14.265 -3.856 1.00 0.00 N ATOM 1078 CA ARG A 71 2.200 -14.375 -4.993 1.00 0.00 C ATOM 1079 C ARG A 71 2.387 -12.985 -5.584 1.00 0.00 C ATOM 1080 O ARG A 71 1.464 -12.441 -6.180 1.00 0.00 O ATOM 1081 CB ARG A 71 1.610 -15.368 -6.000 1.00 0.00 C ATOM 1082 CG ARG A 71 2.644 -15.850 -7.028 1.00 0.00 C ATOM 1083 CD ARG A 71 2.290 -17.258 -7.519 1.00 0.00 C ATOM 1084 NE ARG A 71 2.415 -18.230 -6.423 1.00 0.00 N ATOM 1085 CZ ARG A 71 1.941 -19.487 -6.426 1.00 0.00 C ATOM 1086 NH1 ARG A 71 1.352 -19.994 -7.519 1.00 0.00 N ATOM 1087 NH2 ARG A 71 2.058 -20.237 -5.323 1.00 0.00 N ATOM 0 H ARG A 71 0.442 -13.757 -4.068 1.00 0.00 H new ATOM 0 HA ARG A 71 3.179 -14.754 -4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.208 -16.228 -5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.776 -14.899 -6.522 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.676 -15.161 -7.872 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.638 -15.853 -6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.272 -17.269 -7.909 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.949 -17.540 -8.340 1.00 0.00 H new ATOM 0 HE ARG A 71 2.906 -17.922 -5.584 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.260 -19.424 -8.360 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.996 -20.950 -7.510 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.504 -19.853 -4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.701 -21.192 -5.316 1.00 0.00 H new ATOM 1101 N VAL A 72 3.572 -12.403 -5.388 1.00 0.00 N ATOM 1102 CA VAL A 72 3.903 -11.076 -5.874 1.00 0.00 C ATOM 1103 C VAL A 72 4.558 -11.243 -7.244 1.00 0.00 C ATOM 1104 O VAL A 72 5.777 -11.363 -7.342 1.00 0.00 O ATOM 1105 CB VAL A 72 4.802 -10.362 -4.848 1.00 0.00 C ATOM 1106 CG1 VAL A 72 5.158 -8.945 -5.319 1.00 0.00 C ATOM 1107 CG2 VAL A 72 4.087 -10.258 -3.491 1.00 0.00 C ATOM 0 H VAL A 72 4.334 -12.852 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 72 3.021 -10.447 -5.991 1.00 0.00 H new ATOM 0 HB VAL A 72 5.714 -10.950 -4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.793 -8.463 -4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.689 -9.000 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.245 -8.364 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.735 -9.751 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.163 -9.691 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.855 -11.258 -3.124 1.00 0.00 H new ATOM 1117 N GLU A 73 3.734 -11.267 -8.301 1.00 0.00 N ATOM 1118 CA GLU A 73 4.207 -11.334 -9.676 1.00 0.00 C ATOM 1119 C GLU A 73 5.072 -10.109 -9.990 1.00 0.00 C ATOM 1120 O GLU A 73 6.267 -10.248 -10.246 1.00 0.00 O ATOM 1121 CB GLU A 73 3.006 -11.435 -10.630 1.00 0.00 C ATOM 1122 CG GLU A 73 2.485 -12.876 -10.740 1.00 0.00 C ATOM 1123 CD GLU A 73 3.135 -13.653 -11.886 1.00 0.00 C ATOM 1124 OE1 GLU A 73 4.313 -13.362 -12.193 1.00 0.00 O ATOM 1125 OE2 GLU A 73 2.432 -14.523 -12.444 1.00 0.00 O ATOM 0 H GLU A 73 2.718 -11.240 -8.218 1.00 0.00 H new ATOM 0 HA GLU A 73 4.824 -12.222 -9.812 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.205 -10.785 -10.277 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.295 -11.077 -11.618 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.671 -13.398 -9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.405 -12.857 -10.886 1.00 0.00 H new ATOM 1132 N ARG A 74 4.459 -8.918 -9.985 1.00 0.00 N ATOM 1133 CA ARG A 74 5.102 -7.654 -10.336 1.00 0.00 C ATOM 1134 C ARG A 74 4.436 -6.508 -9.568 1.00 0.00 C ATOM 1135 O ARG A 74 3.287 -6.642 -9.156 1.00 0.00 O ATOM 1136 CB ARG A 74 4.968 -7.398 -11.845 1.00 0.00 C ATOM 1137 CG ARG A 74 5.699 -8.440 -12.703 1.00 0.00 C ATOM 1138 CD ARG A 74 5.636 -8.081 -14.193 1.00 0.00 C ATOM 1139 NE ARG A 74 4.251 -7.931 -14.666 1.00 0.00 N ATOM 1140 CZ ARG A 74 3.360 -8.928 -14.813 1.00 0.00 C ATOM 1141 NH1 ARG A 74 3.717 -10.208 -14.632 1.00 0.00 N ATOM 1142 NH2 ARG A 74 2.095 -8.633 -15.142 1.00 0.00 N ATOM 0 H ARG A 74 3.478 -8.809 -9.730 1.00 0.00 H new ATOM 0 HA ARG A 74 6.158 -7.708 -10.072 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.912 -7.392 -12.113 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.361 -6.408 -12.075 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.740 -8.508 -12.387 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.253 -9.422 -12.544 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.180 -7.153 -14.365 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.136 -8.856 -14.774 1.00 0.00 H new ATOM 0 HE ARG A 74 3.939 -6.989 -14.903 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.678 -10.439 -14.379 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.028 -10.951 -14.748 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.817 -7.661 -15.278 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.410 -9.380 -15.256 1.00 0.00 H new ATOM 1156 N VAL A 75 5.153 -5.390 -9.369 1.00 0.00 N ATOM 1157 CA VAL A 75 4.652 -4.222 -8.643 1.00 0.00 C ATOM 1158 C VAL A 75 5.054 -2.924 -9.366 1.00 0.00 C ATOM 1159 O VAL A 75 6.228 -2.757 -9.688 1.00 0.00 O ATOM 1160 CB VAL A 75 5.189 -4.243 -7.198 1.00 0.00 C ATOM 1161 CG1 VAL A 75 4.535 -3.129 -6.369 1.00 0.00 C ATOM 1162 CG2 VAL A 75 4.906 -5.587 -6.509 1.00 0.00 C ATOM 0 H VAL A 75 6.106 -5.275 -9.713 1.00 0.00 H new ATOM 0 HA VAL A 75 3.563 -4.258 -8.610 1.00 0.00 H new ATOM 0 HB VAL A 75 6.267 -4.091 -7.256 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.924 -3.157 -5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.760 -2.162 -6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.455 -3.277 -6.349 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.299 -5.565 -5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.830 -5.761 -6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.388 -6.390 -7.066 1.00 0.00 H new ATOM 1172 N LEU A 76 4.097 -2.008 -9.606 1.00 0.00 N ATOM 1173 CA LEU A 76 4.300 -0.737 -10.311 1.00 0.00 C ATOM 1174 C LEU A 76 4.109 0.473 -9.385 1.00 0.00 C ATOM 1175 O LEU A 76 3.131 0.505 -8.643 1.00 0.00 O ATOM 1176 CB LEU A 76 3.286 -0.633 -11.464 1.00 0.00 C ATOM 1177 CG LEU A 76 3.922 -0.065 -12.740 1.00 0.00 C ATOM 1178 CD1 LEU A 76 4.709 -1.166 -13.464 1.00 0.00 C ATOM 1179 CD2 LEU A 76 2.830 0.483 -13.665 1.00 0.00 C ATOM 0 H LEU A 76 3.132 -2.140 -9.303 1.00 0.00 H new ATOM 0 HA LEU A 76 5.325 -0.725 -10.683 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.873 -1.620 -11.673 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.455 0.003 -11.159 1.00 0.00 H new ATOM 0 HG LEU A 76 4.602 0.743 -12.470 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.158 -0.757 -14.369 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.493 -1.544 -12.808 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.035 -1.980 -13.730 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.287 0.885 -14.569 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.143 -0.320 -13.932 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.282 1.274 -13.153 1.00 0.00 H new ATOM 1191 N SER A 77 5.006 1.472 -9.448 1.00 0.00 N ATOM 1192 CA SER A 77 4.973 2.669 -8.598 1.00 0.00 C ATOM 1193 C SER A 77 4.910 3.965 -9.429 1.00 0.00 C ATOM 1194 O SER A 77 5.655 4.080 -10.400 1.00 0.00 O ATOM 1195 CB SER A 77 6.233 2.710 -7.718 1.00 0.00 C ATOM 1196 OG SER A 77 6.846 1.440 -7.591 1.00 0.00 O ATOM 0 H SER A 77 5.787 1.468 -10.104 1.00 0.00 H new ATOM 0 HA SER A 77 4.073 2.610 -7.985 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.948 3.414 -8.144 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.969 3.083 -6.728 1.00 0.00 H new ATOM 0 HG SER A 77 7.642 1.516 -7.025 1.00 0.00 H new ATOM 1202 N GLU A 78 4.077 4.944 -9.033 1.00 0.00 N ATOM 1203 CA GLU A 78 3.900 6.230 -9.735 1.00 0.00 C ATOM 1204 C GLU A 78 3.641 7.386 -8.749 1.00 0.00 C ATOM 1205 O GLU A 78 3.201 7.134 -7.627 1.00 0.00 O ATOM 1206 CB GLU A 78 2.731 6.118 -10.733 1.00 0.00 C ATOM 1207 CG GLU A 78 3.113 5.468 -12.074 1.00 0.00 C ATOM 1208 CD GLU A 78 4.070 6.333 -12.893 1.00 0.00 C ATOM 1209 OE1 GLU A 78 3.569 7.293 -13.519 1.00 0.00 O ATOM 1210 OE2 GLU A 78 5.281 6.027 -12.879 1.00 0.00 O ATOM 0 H GLU A 78 3.496 4.863 -8.199 1.00 0.00 H new ATOM 0 HA GLU A 78 4.823 6.452 -10.270 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.930 5.538 -10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.333 7.115 -10.924 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.575 4.499 -11.886 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.209 5.282 -12.654 1.00 0.00 H new ATOM 1217 N PRO A 79 3.877 8.655 -9.148 1.00 0.00 N ATOM 1218 CA PRO A 79 3.649 9.830 -8.310 1.00 0.00 C ATOM 1219 C PRO A 79 2.153 10.127 -8.146 1.00 0.00 C ATOM 1220 O PRO A 79 1.400 10.065 -9.117 1.00 0.00 O ATOM 1221 CB PRO A 79 4.363 10.986 -9.020 1.00 0.00 C ATOM 1222 CG PRO A 79 4.303 10.584 -10.491 1.00 0.00 C ATOM 1223 CD PRO A 79 4.440 9.062 -10.430 1.00 0.00 C ATOM 0 HA PRO A 79 4.032 9.674 -7.302 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.863 11.938 -8.842 1.00 0.00 H new ATOM 0 HB3 PRO A 79 5.391 11.097 -8.675 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.365 10.888 -10.956 1.00 0.00 H new ATOM 0 HG3 PRO A 79 5.107 11.040 -11.068 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.909 8.590 -11.256 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.485 8.761 -10.510 1.00 0.00 H new ATOM 1231 N HIS A 80 1.733 10.448 -6.913 1.00 0.00 N ATOM 1232 CA HIS A 80 0.340 10.672 -6.543 1.00 0.00 C ATOM 1233 C HIS A 80 0.166 12.023 -5.840 1.00 0.00 C ATOM 1234 O HIS A 80 0.839 12.291 -4.849 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.101 9.531 -5.612 1.00 0.00 C ATOM 1236 CG HIS A 80 -1.562 9.193 -5.729 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.125 8.716 -6.901 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -2.553 9.274 -4.785 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -3.425 8.511 -6.637 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -3.726 8.835 -5.368 1.00 0.00 N ATOM 0 H HIS A 80 2.376 10.560 -6.129 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.275 10.688 -7.442 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.489 8.642 -5.835 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.118 9.808 -4.581 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.437 9.619 -3.768 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.139 8.133 -7.354 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.641 8.770 -4.923 1.00 0.00 H new ATOM 1249 N HIS A 81 -0.733 12.883 -6.333 1.00 0.00 N ATOM 1250 CA HIS A 81 -0.953 14.199 -5.736 1.00 0.00 C ATOM 1251 C HIS A 81 -2.445 14.454 -5.478 1.00 0.00 C ATOM 1252 O HIS A 81 -3.046 15.272 -6.174 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.328 15.240 -6.677 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.278 16.639 -6.114 1.00 0.00 C ATOM 1255 ND1 HIS A 81 0.196 16.925 -4.842 1.00 0.00 N ATOM 1256 CD2 HIS A 81 -0.613 17.826 -6.713 1.00 0.00 C ATOM 1257 CE1 HIS A 81 0.132 18.259 -4.707 1.00 0.00 C ATOM 1258 NE2 HIS A 81 -0.349 18.843 -5.816 1.00 0.00 N ATOM 0 H HIS A 81 -1.319 12.688 -7.145 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.478 14.264 -4.757 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.685 14.925 -6.926 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.894 15.256 -7.608 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.012 17.945 -7.709 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.430 18.795 -3.818 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.492 19.842 -5.967 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.068 13.774 -4.498 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.495 13.892 -4.238 1.00 0.00 C ATOM 1269 C PRO A 82 -4.820 15.243 -3.595 1.00 0.00 C ATOM 1270 O PRO A 82 -4.051 15.751 -2.780 1.00 0.00 O ATOM 1271 CB PRO A 82 -4.842 12.723 -3.310 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.536 12.479 -2.556 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.465 12.805 -3.600 1.00 0.00 C ATOM 0 HA PRO A 82 -5.082 13.850 -5.155 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.658 12.975 -2.632 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.154 11.842 -3.871 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.452 13.120 -1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.458 11.449 -2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.571 13.213 -3.128 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.160 11.909 -4.140 1.00 0.00 H new ATOM 1281 N SER A 83 -5.962 15.824 -3.981 1.00 0.00 N ATOM 1282 CA SER A 83 -6.422 17.110 -3.480 1.00 0.00 C ATOM 1283 C SER A 83 -6.868 16.998 -2.020 1.00 0.00 C ATOM 1284 O SER A 83 -7.468 16.001 -1.620 1.00 0.00 O ATOM 1285 CB SER A 83 -7.542 17.653 -4.375 1.00 0.00 C ATOM 1286 OG SER A 83 -8.634 16.759 -4.434 1.00 0.00 O ATOM 0 H SER A 83 -6.596 15.403 -4.660 1.00 0.00 H new ATOM 0 HA SER A 83 -5.594 17.818 -3.510 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.879 18.617 -3.994 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.156 17.825 -5.380 1.00 0.00 H new ATOM 0 HG SER A 83 -9.333 17.133 -5.010 1.00 0.00 H new ATOM 1292 N GLY A 84 -6.548 18.028 -1.227 1.00 0.00 N ATOM 1293 CA GLY A 84 -6.805 18.066 0.205 1.00 0.00 C ATOM 1294 C GLY A 84 -5.859 17.146 0.971 1.00 0.00 C ATOM 1295 O GLY A 84 -5.093 16.382 0.382 1.00 0.00 O ATOM 0 H GLY A 84 -6.094 18.872 -1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.693 19.088 0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.836 17.770 0.398 1.00 0.00 H new ATOM 1299 N GLU A 85 -5.930 17.230 2.303 1.00 0.00 N ATOM 1300 CA GLU A 85 -5.213 16.344 3.204 1.00 0.00 C ATOM 1301 C GLU A 85 -6.154 15.217 3.621 1.00 0.00 C ATOM 1302 O GLU A 85 -7.324 15.452 3.922 1.00 0.00 O ATOM 1303 CB GLU A 85 -4.637 17.129 4.391 1.00 0.00 C ATOM 1304 CG GLU A 85 -5.683 17.560 5.426 1.00 0.00 C ATOM 1305 CD GLU A 85 -5.118 18.614 6.374 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -4.025 18.359 6.924 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -5.783 19.662 6.521 1.00 0.00 O ATOM 0 H GLU A 85 -6.497 17.927 2.785 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.353 15.896 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.883 16.516 4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.129 18.016 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.560 17.958 4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.013 16.692 5.997 1.00 0.00 H new ATOM 1314 N LEU A 86 -5.643 13.985 3.605 1.00 0.00 N ATOM 1315 CA LEU A 86 -6.388 12.803 4.006 1.00 0.00 C ATOM 1316 C LEU A 86 -6.473 12.760 5.534 1.00 0.00 C ATOM 1317 O LEU A 86 -5.594 13.278 6.221 1.00 0.00 O ATOM 1318 CB LEU A 86 -5.683 11.560 3.443 1.00 0.00 C ATOM 1319 CG LEU A 86 -6.515 10.731 2.454 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -6.953 11.529 1.220 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -5.666 9.549 1.990 1.00 0.00 C ATOM 0 H LEU A 86 -4.688 13.783 3.309 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.404 12.830 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.765 11.876 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.391 10.919 4.275 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.420 10.412 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.537 10.887 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.561 12.378 1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.072 11.890 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.238 8.945 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.764 9.918 1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.390 8.939 2.850 1.00 0.00 H new ATOM 1333 N THR A 87 -7.536 12.140 6.058 1.00 0.00 N ATOM 1334 CA THR A 87 -7.793 12.066 7.485 1.00 0.00 C ATOM 1335 C THR A 87 -6.938 10.939 8.072 1.00 0.00 C ATOM 1336 O THR A 87 -5.903 11.209 8.676 1.00 0.00 O ATOM 1337 CB THR A 87 -9.309 11.911 7.709 1.00 0.00 C ATOM 1338 OG1 THR A 87 -9.964 13.019 7.125 1.00 0.00 O ATOM 1339 CG2 THR A 87 -9.677 11.850 9.192 1.00 0.00 C ATOM 0 H THR A 87 -8.244 11.674 5.491 1.00 0.00 H new ATOM 0 HA THR A 87 -7.505 12.976 8.011 1.00 0.00 H new ATOM 0 HB THR A 87 -9.621 10.972 7.252 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.931 12.934 7.258 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.757 11.741 9.295 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.180 10.998 9.655 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.357 12.768 9.684 1.00 0.00 H new ATOM 1347 N ASP A 88 -7.358 9.685 7.862 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.681 8.488 8.353 1.00 0.00 C ATOM 1349 C ASP A 88 -6.590 7.439 7.243 1.00 0.00 C ATOM 1350 O ASP A 88 -7.282 7.531 6.229 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.447 7.917 9.558 1.00 0.00 C ATOM 1352 CG ASP A 88 -7.316 8.786 10.807 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -6.159 9.057 11.196 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -8.375 9.146 11.364 1.00 0.00 O ATOM 0 H ASP A 88 -8.203 9.474 7.330 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.671 8.754 8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.501 7.817 9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.077 6.916 9.777 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.744 6.424 7.461 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.643 5.258 6.598 1.00 0.00 C ATOM 1361 C PHE A 89 -6.867 4.351 6.781 1.00 0.00 C ATOM 1362 O PHE A 89 -7.441 4.300 7.868 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.328 4.520 6.883 1.00 0.00 C ATOM 1364 CG PHE A 89 -4.162 3.204 6.146 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -4.655 2.017 6.721 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -3.583 3.171 4.863 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -4.621 0.818 5.993 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -3.522 1.961 4.148 1.00 0.00 C ATOM 1369 CZ PHE A 89 -4.065 0.790 4.705 1.00 0.00 C ATOM 0 H PHE A 89 -5.105 6.397 8.255 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.631 5.572 5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.497 5.174 6.620 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.259 4.331 7.954 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.059 2.029 7.722 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.185 4.076 4.427 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.024 -0.086 6.425 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.059 1.932 3.173 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.054 -0.131 4.141 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.260 3.631 5.720 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.382 2.694 5.738 1.00 0.00 C ATOM 1381 C ARG A 90 -8.147 1.573 4.714 1.00 0.00 C ATOM 1382 O ARG A 90 -7.052 1.451 4.173 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.697 3.462 5.511 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.803 4.013 4.082 1.00 0.00 C ATOM 1385 CD ARG A 90 -10.309 5.457 4.029 1.00 0.00 C ATOM 1386 NE ARG A 90 -11.659 5.603 4.588 1.00 0.00 N ATOM 1387 CZ ARG A 90 -12.367 6.746 4.555 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -11.844 7.854 4.009 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -13.604 6.782 5.068 1.00 0.00 N ATOM 0 H ARG A 90 -6.797 3.688 4.813 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.460 2.211 6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.541 2.801 5.708 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.763 4.285 6.223 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.824 3.960 3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.474 3.378 3.503 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.621 6.100 4.578 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.309 5.800 2.995 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.086 4.788 5.028 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.903 7.833 3.615 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.387 8.717 3.988 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.008 5.943 5.483 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.141 7.649 5.043 1.00 0.00 H new ATOM 1403 N ILE A 91 -9.167 0.749 4.445 1.00 0.00 N ATOM 1404 CA ILE A 91 -9.120 -0.322 3.451 1.00 0.00 C ATOM 1405 C ILE A 91 -10.353 -0.235 2.545 1.00 0.00 C ATOM 1406 O ILE A 91 -11.192 0.646 2.724 1.00 0.00 O ATOM 1407 CB ILE A 91 -9.013 -1.695 4.147 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -10.166 -1.929 5.140 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -7.654 -1.834 4.848 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -10.416 -3.421 5.375 1.00 0.00 C ATOM 0 H ILE A 91 -10.065 0.812 4.924 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.234 -0.206 2.827 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.092 -2.462 3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.933 -1.445 6.089 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.075 -1.463 4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.593 -2.808 5.334 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.854 -1.745 4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.548 -1.048 5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.237 -3.546 6.081 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.674 -3.900 4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -9.515 -3.881 5.781 1.00 0.00 H new ATOM 1422 N ARG A 92 -10.459 -1.163 1.584 1.00 0.00 N ATOM 1423 CA ARG A 92 -11.649 -1.346 0.760 1.00 0.00 C ATOM 1424 C ARG A 92 -12.910 -1.512 1.614 1.00 0.00 C ATOM 1425 O ARG A 92 -12.839 -2.261 2.614 1.00 0.00 O ATOM 1426 CB ARG A 92 -11.469 -2.547 -0.181 1.00 0.00 C ATOM 1427 CG ARG A 92 -11.166 -3.866 0.550 1.00 0.00 C ATOM 1428 CD ARG A 92 -12.364 -4.816 0.488 1.00 0.00 C ATOM 1429 NE ARG A 92 -12.491 -5.437 -0.840 1.00 0.00 N ATOM 1430 CZ ARG A 92 -11.867 -6.561 -1.234 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -11.071 -7.234 -0.392 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -12.034 -7.015 -2.484 1.00 0.00 N ATOM 1433 OXT ARG A 92 -13.929 -0.891 1.243 1.00 0.00 O ATOM 0 H ARG A 92 -9.707 -1.814 1.359 1.00 0.00 H new ATOM 0 HA ARG A 92 -11.778 -0.445 0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.375 -2.671 -0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.658 -2.333 -0.877 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.295 -4.343 0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.915 -3.660 1.590 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.254 -5.592 1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.277 -4.268 0.724 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.101 -4.978 -1.516 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.933 -6.895 0.560 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.603 -8.085 -0.703 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.634 -6.508 -3.135 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.561 -7.867 -2.784 1.00 0.00 H new TER 1447 ARG A 92