USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 899 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 18 THR OG1 : rot 180:sc= 0.118 USER MOD Set 1.2: A 21 SER OG : rot 91:sc= 0.115 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.24 (180deg=-0.512) USER MOD Single : A 6 LYS NZ :NH3+ -108:sc= 0.775 (180deg=0.0429) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0565 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 86:sc= 1.25 USER MOD Single : A 17 ASN : amide:sc= -0.016 K(o=-0.016,f=-1.3!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0215) USER MOD Single : A 27 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 30 ASN : amide:sc= 0.174 X(o=0.17,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.119) USER MOD Single : A 40 TYR OH : rot 165:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.929 K(o=-0.93,f=-8.3!) USER MOD Single : A 52 GLN : amide:sc= 0.409 K(o=0.41,f=-6.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 110:sc= 0 USER MOD Single : A 64 THR OG1 : rot -69:sc= -0.35! USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= 1.07 (180deg=0.685) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0218 K(o=-0.022,f=-3.8) USER MOD Single : A 85 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.13) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -153:sc= 0.0488 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.093 -12.026 -16.781 1.00 0.00 N ATOM 2 CA MET A 1 -18.478 -13.252 -17.359 1.00 0.00 C ATOM 3 C MET A 1 -16.982 -13.056 -17.572 1.00 0.00 C ATOM 4 O MET A 1 -16.272 -13.979 -17.973 1.00 0.00 O ATOM 5 CB MET A 1 -19.150 -13.601 -18.691 1.00 0.00 C ATOM 6 CG MET A 1 -20.643 -13.866 -18.570 1.00 0.00 C ATOM 7 SD MET A 1 -21.418 -14.211 -20.161 1.00 0.00 S ATOM 8 CE MET A 1 -23.143 -14.300 -19.686 1.00 0.00 C ATOM 0 H1 MET A 1 -20.069 -12.233 -16.487 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.541 -11.717 -15.956 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.100 -11.271 -17.496 1.00 0.00 H new ATOM 0 HA MET A 1 -18.625 -14.072 -16.656 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.991 -12.783 -19.394 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.666 -14.482 -19.112 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.805 -14.711 -17.900 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.126 -13.001 -18.115 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.752 -14.508 -20.565 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.278 -15.096 -18.954 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.450 -13.350 -19.249 1.00 0.00 H new ATOM 20 N ALA A 2 -16.514 -11.841 -17.307 1.00 0.00 N ATOM 21 CA ALA A 2 -15.102 -11.509 -17.462 1.00 0.00 C ATOM 22 C ALA A 2 -14.262 -12.142 -16.352 1.00 0.00 C ATOM 23 O ALA A 2 -14.584 -12.003 -15.172 1.00 0.00 O ATOM 24 CB ALA A 2 -14.913 -9.998 -17.473 1.00 0.00 C ATOM 0 H ALA A 2 -17.094 -11.067 -16.983 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.762 -11.914 -18.415 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.855 -9.765 -17.589 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.473 -9.567 -18.303 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.276 -9.579 -16.534 1.00 0.00 H new ATOM 30 N PRO A 3 -13.179 -12.858 -16.722 1.00 0.00 N ATOM 31 CA PRO A 3 -12.282 -13.514 -15.754 1.00 0.00 C ATOM 32 C PRO A 3 -11.654 -12.532 -14.765 1.00 0.00 C ATOM 33 O PRO A 3 -11.316 -11.402 -15.123 1.00 0.00 O ATOM 34 CB PRO A 3 -11.196 -14.137 -16.638 1.00 0.00 C ATOM 35 CG PRO A 3 -11.844 -14.296 -17.968 1.00 0.00 C ATOM 36 CD PRO A 3 -12.750 -13.108 -18.113 1.00 0.00 C ATOM 0 HA PRO A 3 -12.821 -14.232 -15.135 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.317 -13.495 -16.699 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.863 -15.096 -16.241 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.102 -14.324 -18.766 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.406 -15.228 -18.022 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.228 -12.250 -18.537 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.596 -13.321 -18.766 1.00 0.00 H new ATOM 44 N LEU A 4 -11.491 -12.977 -13.525 1.00 0.00 N ATOM 45 CA LEU A 4 -10.902 -12.144 -12.484 1.00 0.00 C ATOM 46 C LEU A 4 -9.498 -12.634 -12.140 1.00 0.00 C ATOM 47 O LEU A 4 -9.254 -13.839 -12.065 1.00 0.00 O ATOM 48 CB LEU A 4 -11.785 -12.147 -11.232 1.00 0.00 C ATOM 49 CG LEU A 4 -13.274 -11.876 -11.483 1.00 0.00 C ATOM 50 CD1 LEU A 4 -14.085 -13.154 -11.323 1.00 0.00 C ATOM 51 CD2 LEU A 4 -13.792 -10.798 -10.544 1.00 0.00 C ATOM 0 H LEU A 4 -11.759 -13.911 -13.216 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.833 -11.123 -12.859 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.686 -13.114 -10.739 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.407 -11.396 -10.538 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.386 -11.521 -12.507 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -15.139 -12.942 -11.505 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.736 -13.898 -12.039 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.962 -13.539 -10.311 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.850 -10.622 -10.740 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.663 -11.122 -9.511 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.235 -9.875 -10.707 1.00 0.00 H new ATOM 63 N ARG A 5 -8.583 -11.695 -11.925 1.00 0.00 N ATOM 64 CA ARG A 5 -7.200 -12.027 -11.603 1.00 0.00 C ATOM 65 C ARG A 5 -6.740 -11.302 -10.343 1.00 0.00 C ATOM 66 O ARG A 5 -7.344 -10.311 -9.936 1.00 0.00 O ATOM 67 CB ARG A 5 -6.278 -11.677 -12.763 1.00 0.00 C ATOM 68 CG ARG A 5 -6.587 -12.454 -14.028 1.00 0.00 C ATOM 69 CD ARG A 5 -5.478 -12.287 -15.037 1.00 0.00 C ATOM 70 NE ARG A 5 -5.750 -12.999 -16.286 1.00 0.00 N ATOM 71 CZ ARG A 5 -6.434 -12.480 -17.303 1.00 0.00 C ATOM 72 NH1 ARG A 5 -6.921 -11.248 -17.219 1.00 0.00 N ATOM 73 NH2 ARG A 5 -6.632 -13.195 -18.402 1.00 0.00 N ATOM 0 H ARG A 5 -8.775 -10.694 -11.968 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.153 -13.101 -11.423 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -6.356 -10.610 -12.972 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.246 -11.869 -12.469 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -6.714 -13.510 -13.791 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.529 -12.107 -14.454 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.340 -11.227 -15.249 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.544 -12.651 -14.610 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.394 -13.950 -16.383 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -6.771 -10.697 -16.374 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -7.445 -10.852 -18.000 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.260 -14.143 -18.468 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.156 -12.797 -19.182 1.00 0.00 H new ATOM 87 N LYS A 6 -5.673 -11.815 -9.726 1.00 0.00 N ATOM 88 CA LYS A 6 -5.116 -11.215 -8.512 1.00 0.00 C ATOM 89 C LYS A 6 -4.620 -9.800 -8.771 1.00 0.00 C ATOM 90 O LYS A 6 -4.778 -8.913 -7.932 1.00 0.00 O ATOM 91 CB LYS A 6 -3.985 -12.080 -7.953 1.00 0.00 C ATOM 92 CG LYS A 6 -4.465 -13.386 -7.340 1.00 0.00 C ATOM 93 CD LYS A 6 -5.160 -13.146 -6.007 1.00 0.00 C ATOM 94 CE LYS A 6 -5.624 -14.448 -5.372 1.00 0.00 C ATOM 95 NZ LYS A 6 -6.771 -15.045 -6.108 1.00 0.00 N ATOM 0 H LYS A 6 -5.177 -12.646 -10.048 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.915 -11.162 -7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.279 -12.302 -8.753 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.443 -11.511 -7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.151 -13.883 -8.026 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.618 -14.056 -7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.479 -12.633 -5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.016 -12.488 -6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.797 -15.157 -5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.912 -14.265 -4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.638 -14.940 -5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.890 -14.558 -7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.588 -16.055 -6.276 1.00 0.00 H new ATOM 109 N THR A 7 -4.008 -9.597 -9.927 1.00 0.00 N ATOM 110 CA THR A 7 -3.514 -8.282 -10.293 1.00 0.00 C ATOM 111 C THR A 7 -4.650 -7.422 -10.824 1.00 0.00 C ATOM 112 O THR A 7 -5.264 -7.738 -11.845 1.00 0.00 O ATOM 113 CB THR A 7 -2.401 -8.354 -11.349 1.00 0.00 C ATOM 114 OG1 THR A 7 -2.552 -9.537 -12.145 1.00 0.00 O ATOM 115 CG2 THR A 7 -1.026 -8.339 -10.699 1.00 0.00 C ATOM 0 H THR A 7 -3.843 -10.323 -10.624 1.00 0.00 H new ATOM 0 HA THR A 7 -3.097 -7.836 -9.390 1.00 0.00 H new ATOM 0 HB THR A 7 -2.486 -7.476 -11.989 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.839 -9.573 -12.816 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.258 -8.391 -11.471 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.904 -7.419 -10.127 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.929 -9.196 -10.033 1.00 0.00 H new ATOM 123 N ALA A 8 -4.920 -6.337 -10.124 1.00 0.00 N ATOM 124 CA ALA A 8 -5.987 -5.428 -10.500 1.00 0.00 C ATOM 125 C ALA A 8 -5.443 -4.235 -11.270 1.00 0.00 C ATOM 126 O ALA A 8 -4.288 -3.845 -11.096 1.00 0.00 O ATOM 127 CB ALA A 8 -6.735 -4.979 -9.261 1.00 0.00 C ATOM 0 H ALA A 8 -4.410 -6.062 -9.284 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.679 -5.953 -11.159 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.536 -4.297 -9.547 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.161 -5.847 -8.758 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.048 -4.470 -8.586 1.00 0.00 H new ATOM 133 N VAL A 9 -6.279 -3.660 -12.123 1.00 0.00 N ATOM 134 CA VAL A 9 -5.873 -2.521 -12.926 1.00 0.00 C ATOM 135 C VAL A 9 -6.614 -1.262 -12.489 1.00 0.00 C ATOM 136 O VAL A 9 -7.848 -1.228 -12.452 1.00 0.00 O ATOM 137 CB VAL A 9 -6.127 -2.772 -14.430 1.00 0.00 C ATOM 138 CG1 VAL A 9 -5.702 -1.565 -15.266 1.00 0.00 C ATOM 139 CG2 VAL A 9 -5.395 -4.023 -14.894 1.00 0.00 C ATOM 0 H VAL A 9 -7.240 -3.965 -12.275 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.803 -2.381 -12.773 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.197 -2.923 -14.570 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.891 -1.768 -16.320 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.272 -0.689 -14.957 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.639 -1.376 -15.118 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.586 -4.184 -15.955 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.324 -3.899 -14.732 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.750 -4.884 -14.327 1.00 0.00 H new ATOM 149 N LEU A 10 -5.851 -0.235 -12.169 1.00 0.00 N ATOM 150 CA LEU A 10 -6.408 1.039 -11.744 1.00 0.00 C ATOM 151 C LEU A 10 -6.074 2.074 -12.805 1.00 0.00 C ATOM 152 O LEU A 10 -4.911 2.215 -13.186 1.00 0.00 O ATOM 153 CB LEU A 10 -5.815 1.448 -10.382 1.00 0.00 C ATOM 154 CG LEU A 10 -6.726 2.250 -9.432 1.00 0.00 C ATOM 155 CD1 LEU A 10 -7.180 3.551 -10.068 1.00 0.00 C ATOM 156 CD2 LEU A 10 -7.928 1.425 -8.994 1.00 0.00 C ATOM 0 H LEU A 10 -4.832 -0.257 -12.195 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.489 0.962 -11.627 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.500 0.542 -9.864 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.917 2.037 -10.567 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.137 2.493 -8.547 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.821 4.092 -9.372 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.310 4.161 -10.309 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.736 3.335 -10.980 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.552 2.018 -8.325 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.509 1.135 -9.870 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.585 0.531 -8.474 1.00 0.00 H new ATOM 168 N LYS A 11 -7.073 2.805 -13.285 1.00 0.00 N ATOM 169 CA LYS A 11 -6.819 3.807 -14.307 1.00 0.00 C ATOM 170 C LYS A 11 -7.054 5.200 -13.751 1.00 0.00 C ATOM 171 O LYS A 11 -8.098 5.482 -13.157 1.00 0.00 O ATOM 172 CB LYS A 11 -7.686 3.596 -15.555 1.00 0.00 C ATOM 173 CG LYS A 11 -7.314 2.367 -16.365 1.00 0.00 C ATOM 174 CD LYS A 11 -8.180 2.243 -17.608 1.00 0.00 C ATOM 175 CE LYS A 11 -7.783 1.040 -18.446 1.00 0.00 C ATOM 176 NZ LYS A 11 -8.631 0.902 -19.662 1.00 0.00 N ATOM 0 H LYS A 11 -8.046 2.725 -12.989 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.776 3.701 -14.605 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.730 3.516 -15.250 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.607 4.476 -16.193 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.265 2.423 -16.654 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.428 1.475 -15.749 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.227 2.155 -17.316 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.091 3.150 -18.206 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.738 1.133 -18.742 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.864 0.136 -17.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.326 0.069 -20.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.626 0.787 -19.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.534 1.754 -20.251 1.00 0.00 H new ATOM 190 N LEU A 12 -6.068 6.059 -13.935 1.00 0.00 N ATOM 191 CA LEU A 12 -6.154 7.429 -13.473 1.00 0.00 C ATOM 192 C LEU A 12 -6.374 8.337 -14.667 1.00 0.00 C ATOM 193 O LEU A 12 -5.578 8.329 -15.606 1.00 0.00 O ATOM 194 CB LEU A 12 -4.861 7.833 -12.750 1.00 0.00 C ATOM 195 CG LEU A 12 -5.032 8.683 -11.483 1.00 0.00 C ATOM 196 CD1 LEU A 12 -3.702 9.300 -11.078 1.00 0.00 C ATOM 197 CD2 LEU A 12 -6.078 9.771 -11.680 1.00 0.00 C ATOM 0 H LEU A 12 -5.193 5.828 -14.405 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.985 7.521 -12.774 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.319 6.925 -12.484 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.234 8.384 -13.451 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.378 8.026 -10.685 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.838 9.900 -10.178 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.979 8.509 -10.880 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.334 9.934 -11.885 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.174 10.354 -10.764 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.773 10.426 -12.496 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.038 9.314 -11.921 1.00 0.00 H new ATOM 209 N TYR A 13 -7.438 9.116 -14.654 1.00 0.00 N ATOM 210 CA TYR A 13 -7.716 10.020 -15.750 1.00 0.00 C ATOM 211 C TYR A 13 -7.287 11.418 -15.341 1.00 0.00 C ATOM 212 O TYR A 13 -7.797 11.965 -14.366 1.00 0.00 O ATOM 213 CB TYR A 13 -9.210 9.993 -16.075 1.00 0.00 C ATOM 214 CG TYR A 13 -9.690 8.638 -16.554 1.00 0.00 C ATOM 215 CD1 TYR A 13 -10.083 7.657 -15.649 1.00 0.00 C ATOM 216 CD2 TYR A 13 -9.748 8.339 -17.908 1.00 0.00 C ATOM 217 CE1 TYR A 13 -10.514 6.418 -16.081 1.00 0.00 C ATOM 218 CE2 TYR A 13 -10.181 7.102 -18.348 1.00 0.00 C ATOM 219 CZ TYR A 13 -10.561 6.146 -17.430 1.00 0.00 C ATOM 220 OH TYR A 13 -10.988 4.914 -17.863 1.00 0.00 O ATOM 0 H TYR A 13 -8.122 9.140 -13.898 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.166 9.715 -16.641 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.774 10.278 -15.187 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.423 10.739 -16.841 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.050 7.868 -14.590 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.450 9.085 -18.630 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.812 5.667 -15.365 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.221 6.886 -19.405 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.966 4.912 -17.931 1.00 0.00 H new ATOM 230 N VAL A 14 -6.353 11.992 -16.077 1.00 0.00 N ATOM 231 CA VAL A 14 -5.844 13.316 -15.753 1.00 0.00 C ATOM 232 C VAL A 14 -5.950 14.260 -16.938 1.00 0.00 C ATOM 233 O VAL A 14 -6.076 13.825 -18.086 1.00 0.00 O ATOM 234 CB VAL A 14 -4.375 13.259 -15.277 1.00 0.00 C ATOM 235 CG1 VAL A 14 -4.274 12.546 -13.931 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.493 12.575 -16.315 1.00 0.00 C ATOM 0 H VAL A 14 -5.931 11.565 -16.902 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.464 13.696 -14.941 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.019 14.282 -15.152 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.232 12.516 -13.613 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.865 13.084 -13.189 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.653 11.529 -14.029 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.464 12.547 -15.957 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.847 11.557 -16.480 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.536 13.130 -17.252 1.00 0.00 H new ATOM 246 N ALA A 15 -5.894 15.551 -16.654 1.00 0.00 N ATOM 247 CA ALA A 15 -5.987 16.557 -17.696 1.00 0.00 C ATOM 248 C ALA A 15 -4.712 17.386 -17.746 1.00 0.00 C ATOM 249 O ALA A 15 -4.531 18.315 -16.955 1.00 0.00 O ATOM 250 CB ALA A 15 -7.199 17.450 -17.477 1.00 0.00 C ATOM 0 H ALA A 15 -5.785 15.925 -15.711 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.109 16.050 -18.653 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.249 18.197 -18.270 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.105 16.844 -17.492 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.113 17.950 -16.512 1.00 0.00 H new ATOM 256 N GLY A 16 -3.826 17.045 -18.682 1.00 0.00 N ATOM 257 CA GLY A 16 -2.578 17.772 -18.822 1.00 0.00 C ATOM 258 C GLY A 16 -1.635 17.548 -17.657 1.00 0.00 C ATOM 259 O GLY A 16 -1.684 16.509 -16.997 1.00 0.00 O ATOM 0 H GLY A 16 -3.952 16.279 -19.344 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.086 17.467 -19.746 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.791 18.837 -18.912 1.00 0.00 H new ATOM 263 N ASN A 17 -0.781 18.531 -17.404 1.00 0.00 N ATOM 264 CA ASN A 17 0.181 18.451 -16.311 1.00 0.00 C ATOM 265 C ASN A 17 -0.115 19.509 -15.259 1.00 0.00 C ATOM 266 O ASN A 17 0.790 20.184 -14.767 1.00 0.00 O ATOM 267 CB ASN A 17 1.615 18.613 -16.830 1.00 0.00 C ATOM 268 CG ASN A 17 2.103 17.404 -17.608 1.00 0.00 C ATOM 269 OD1 ASN A 17 1.579 16.302 -17.460 1.00 0.00 O ATOM 270 ND2 ASN A 17 3.112 17.605 -18.444 1.00 0.00 N ATOM 0 H ASN A 17 -0.734 19.396 -17.942 1.00 0.00 H new ATOM 0 HA ASN A 17 0.088 17.465 -15.855 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.667 19.495 -17.469 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.283 18.790 -15.987 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.481 16.829 -18.994 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.519 18.536 -18.538 1.00 0.00 H new ATOM 277 N THR A 18 -1.393 19.659 -14.936 1.00 0.00 N ATOM 278 CA THR A 18 -1.816 20.627 -13.934 1.00 0.00 C ATOM 279 C THR A 18 -1.399 20.152 -12.551 1.00 0.00 C ATOM 280 O THR A 18 -1.160 18.960 -12.354 1.00 0.00 O ATOM 281 CB THR A 18 -3.345 20.839 -13.964 1.00 0.00 C ATOM 282 OG1 THR A 18 -4.022 19.613 -13.655 1.00 0.00 O ATOM 283 CG2 THR A 18 -3.795 21.348 -15.324 1.00 0.00 C ATOM 0 H THR A 18 -2.154 19.123 -15.353 1.00 0.00 H new ATOM 0 HA THR A 18 -1.334 21.578 -14.163 1.00 0.00 H new ATOM 0 HB THR A 18 -3.598 21.587 -13.213 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.991 19.760 -13.676 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.876 21.490 -15.320 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.305 22.298 -15.537 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.527 20.622 -16.091 1.00 0.00 H new ATOM 291 N PRO A 19 -1.292 21.070 -11.575 1.00 0.00 N ATOM 292 CA PRO A 19 -0.892 20.714 -10.208 1.00 0.00 C ATOM 293 C PRO A 19 -1.752 19.604 -9.613 1.00 0.00 C ATOM 294 O PRO A 19 -1.242 18.745 -8.906 1.00 0.00 O ATOM 295 CB PRO A 19 -1.060 22.030 -9.443 1.00 0.00 C ATOM 296 CG PRO A 19 -0.866 23.078 -10.482 1.00 0.00 C ATOM 297 CD PRO A 19 -1.507 22.527 -11.723 1.00 0.00 C ATOM 0 HA PRO A 19 0.121 20.314 -10.164 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.046 22.101 -8.983 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.327 22.122 -8.641 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.330 24.018 -10.184 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.193 23.281 -10.643 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.566 22.777 -11.778 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.040 22.916 -12.628 1.00 0.00 H new ATOM 305 N ASN A 20 -3.051 19.616 -9.913 1.00 0.00 N ATOM 306 CA ASN A 20 -3.953 18.580 -9.400 1.00 0.00 C ATOM 307 C ASN A 20 -3.586 17.220 -9.989 1.00 0.00 C ATOM 308 O ASN A 20 -3.504 16.225 -9.272 1.00 0.00 O ATOM 309 CB ASN A 20 -5.420 18.898 -9.737 1.00 0.00 C ATOM 310 CG ASN A 20 -5.900 20.183 -9.092 1.00 0.00 C ATOM 311 OD1 ASN A 20 -6.236 21.146 -9.779 1.00 0.00 O ATOM 312 ND2 ASN A 20 -5.937 20.205 -7.767 1.00 0.00 N ATOM 0 H ASN A 20 -3.499 20.320 -10.500 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.842 18.554 -8.316 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.532 18.974 -10.818 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.052 18.073 -9.409 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.253 21.043 -7.279 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.649 19.384 -7.235 1.00 0.00 H new ATOM 319 N SER A 21 -3.363 17.195 -11.308 1.00 0.00 N ATOM 320 CA SER A 21 -2.979 15.975 -12.011 1.00 0.00 C ATOM 321 C SER A 21 -1.599 15.499 -11.578 1.00 0.00 C ATOM 322 O SER A 21 -1.400 14.310 -11.341 1.00 0.00 O ATOM 323 CB SER A 21 -2.997 16.209 -13.524 1.00 0.00 C ATOM 324 OG SER A 21 -4.309 16.499 -13.983 1.00 0.00 O ATOM 0 H SER A 21 -3.444 18.015 -11.910 1.00 0.00 H new ATOM 0 HA SER A 21 -3.702 15.200 -11.757 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.330 17.034 -13.775 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.617 15.325 -14.036 1.00 0.00 H new ATOM 0 HG SER A 21 -4.455 17.468 -13.965 1.00 0.00 H new ATOM 330 N VAL A 22 -0.651 16.423 -11.470 1.00 0.00 N ATOM 331 CA VAL A 22 0.702 16.073 -11.050 1.00 0.00 C ATOM 332 C VAL A 22 0.710 15.562 -9.609 1.00 0.00 C ATOM 333 O VAL A 22 1.325 14.538 -9.303 1.00 0.00 O ATOM 334 CB VAL A 22 1.667 17.273 -11.188 1.00 0.00 C ATOM 335 CG1 VAL A 22 3.002 16.985 -10.518 1.00 0.00 C ATOM 336 CG2 VAL A 22 1.870 17.628 -12.653 1.00 0.00 C ATOM 0 H VAL A 22 -0.792 17.414 -11.666 1.00 0.00 H new ATOM 0 HA VAL A 22 1.049 15.278 -11.710 1.00 0.00 H new ATOM 0 HB VAL A 22 1.216 18.127 -10.682 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.660 17.847 -10.632 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.842 16.788 -9.458 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.462 16.114 -10.984 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.552 18.475 -12.731 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.292 16.772 -13.180 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.911 17.892 -13.100 1.00 0.00 H new ATOM 346 N ARG A 23 0.008 16.278 -8.739 1.00 0.00 N ATOM 347 CA ARG A 23 -0.083 15.920 -7.329 1.00 0.00 C ATOM 348 C ARG A 23 -0.744 14.564 -7.157 1.00 0.00 C ATOM 349 O ARG A 23 -0.257 13.709 -6.414 1.00 0.00 O ATOM 350 CB ARG A 23 -0.907 16.978 -6.602 1.00 0.00 C ATOM 351 CG ARG A 23 -0.860 16.888 -5.091 1.00 0.00 C ATOM 352 CD ARG A 23 -1.259 18.206 -4.448 1.00 0.00 C ATOM 353 NE ARG A 23 -0.287 19.263 -4.719 1.00 0.00 N ATOM 354 CZ ARG A 23 -0.432 20.522 -4.317 1.00 0.00 C ATOM 355 NH1 ARG A 23 -1.506 20.880 -3.624 1.00 0.00 N ATOM 356 NH2 ARG A 23 0.499 21.422 -4.606 1.00 0.00 N ATOM 0 H ARG A 23 -0.512 17.119 -8.989 1.00 0.00 H new ATOM 0 HA ARG A 23 0.923 15.869 -6.913 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.555 17.964 -6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.945 16.896 -6.925 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.529 16.097 -4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.146 16.615 -4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.238 18.509 -4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.356 18.070 -3.371 1.00 0.00 H new ATOM 0 HE ARG A 23 0.551 19.021 -5.247 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.222 20.189 -3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.616 21.846 -3.316 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.326 21.148 -5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.388 22.388 -4.298 1.00 0.00 H new ATOM 370 N ALA A 24 -1.860 14.378 -7.857 1.00 0.00 N ATOM 371 CA ALA A 24 -2.597 13.127 -7.786 1.00 0.00 C ATOM 372 C ALA A 24 -1.765 11.964 -8.329 1.00 0.00 C ATOM 373 O ALA A 24 -1.747 10.875 -7.754 1.00 0.00 O ATOM 374 CB ALA A 24 -3.910 13.233 -8.546 1.00 0.00 C ATOM 0 H ALA A 24 -2.270 15.077 -8.477 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.815 12.930 -6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.446 12.286 -8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.519 14.026 -8.111 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.707 13.463 -9.592 1.00 0.00 H new ATOM 380 N LEU A 25 -1.083 12.218 -9.446 1.00 0.00 N ATOM 381 CA LEU A 25 -0.235 11.217 -10.094 1.00 0.00 C ATOM 382 C LEU A 25 0.905 10.774 -9.181 1.00 0.00 C ATOM 383 O LEU A 25 1.162 9.577 -9.043 1.00 0.00 O ATOM 384 CB LEU A 25 0.323 11.776 -11.409 1.00 0.00 C ATOM 385 CG LEU A 25 1.263 10.846 -12.180 1.00 0.00 C ATOM 386 CD1 LEU A 25 0.549 9.559 -12.571 1.00 0.00 C ATOM 387 CD2 LEU A 25 1.808 11.549 -13.414 1.00 0.00 C ATOM 0 H LEU A 25 -1.102 13.118 -9.925 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.848 10.341 -10.306 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.515 12.034 -12.057 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.855 12.702 -11.192 1.00 0.00 H new ATOM 0 HG LEU A 25 2.098 10.587 -11.530 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.236 8.913 -13.118 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.206 9.046 -11.673 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.307 9.795 -13.203 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.475 10.875 -13.952 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.981 11.837 -14.064 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.359 12.440 -13.112 1.00 0.00 H new ATOM 399 N LYS A 26 1.579 11.735 -8.555 1.00 0.00 N ATOM 400 CA LYS A 26 2.684 11.425 -7.650 1.00 0.00 C ATOM 401 C LYS A 26 2.190 10.627 -6.447 1.00 0.00 C ATOM 402 O LYS A 26 2.840 9.676 -6.011 1.00 0.00 O ATOM 403 CB LYS A 26 3.372 12.711 -7.179 1.00 0.00 C ATOM 404 CG LYS A 26 4.663 13.026 -7.924 1.00 0.00 C ATOM 405 CD LYS A 26 4.422 13.248 -9.410 1.00 0.00 C ATOM 406 CE LYS A 26 5.469 14.171 -10.014 1.00 0.00 C ATOM 407 NZ LYS A 26 6.845 13.621 -9.872 1.00 0.00 N ATOM 0 H LYS A 26 1.381 12.731 -8.656 1.00 0.00 H new ATOM 0 HA LYS A 26 3.407 10.820 -8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.682 13.546 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.589 12.627 -6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.122 13.916 -7.494 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.369 12.206 -7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.438 12.290 -9.929 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.430 13.675 -9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.248 14.328 -11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.416 15.146 -9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.514 14.219 -10.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.111 13.606 -8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.873 12.653 -10.252 1.00 0.00 H new ATOM 421 N THR A 27 1.034 11.020 -5.923 1.00 0.00 N ATOM 422 CA THR A 27 0.426 10.357 -4.776 1.00 0.00 C ATOM 423 C THR A 27 0.035 8.915 -5.108 1.00 0.00 C ATOM 424 O THR A 27 0.305 7.998 -4.336 1.00 0.00 O ATOM 425 CB THR A 27 -0.820 11.141 -4.313 1.00 0.00 C ATOM 426 OG1 THR A 27 -0.446 12.479 -3.965 1.00 0.00 O ATOM 427 CG2 THR A 27 -1.478 10.483 -3.114 1.00 0.00 C ATOM 0 H THR A 27 0.493 11.807 -6.281 1.00 0.00 H new ATOM 0 HA THR A 27 1.163 10.333 -3.973 1.00 0.00 H new ATOM 0 HB THR A 27 -1.534 11.149 -5.137 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.348 13.014 -4.780 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.352 11.062 -2.815 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.786 9.471 -3.378 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.769 10.443 -2.287 1.00 0.00 H new ATOM 435 N LEU A 28 -0.577 8.717 -6.273 1.00 0.00 N ATOM 436 CA LEU A 28 -1.019 7.387 -6.688 1.00 0.00 C ATOM 437 C LEU A 28 0.144 6.477 -7.080 1.00 0.00 C ATOM 438 O LEU A 28 0.238 5.347 -6.601 1.00 0.00 O ATOM 439 CB LEU A 28 -1.988 7.496 -7.873 1.00 0.00 C ATOM 440 CG LEU A 28 -3.328 6.760 -7.719 1.00 0.00 C ATOM 441 CD1 LEU A 28 -3.857 6.346 -9.080 1.00 0.00 C ATOM 442 CD2 LEU A 28 -3.193 5.539 -6.823 1.00 0.00 C ATOM 0 H LEU A 28 -0.778 9.458 -6.945 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.518 6.942 -5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.194 8.551 -8.052 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.487 7.114 -8.762 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.033 7.447 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.807 5.825 -8.958 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.005 7.232 -9.698 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.139 5.683 -9.563 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.160 5.043 -6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.468 4.849 -7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.854 5.849 -5.834 1.00 0.00 H new ATOM 454 N ALA A 29 1.034 6.974 -7.945 1.00 0.00 N ATOM 455 CA ALA A 29 2.157 6.177 -8.434 1.00 0.00 C ATOM 456 C ALA A 29 3.097 5.721 -7.331 1.00 0.00 C ATOM 457 O ALA A 29 3.502 4.567 -7.313 1.00 0.00 O ATOM 458 CB ALA A 29 2.947 6.954 -9.475 1.00 0.00 C ATOM 0 H ALA A 29 0.996 7.922 -8.319 1.00 0.00 H new ATOM 0 HA ALA A 29 1.720 5.283 -8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.780 6.346 -9.828 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.297 7.202 -10.314 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.331 7.872 -9.030 1.00 0.00 H new ATOM 464 N ASN A 30 3.444 6.615 -6.410 1.00 0.00 N ATOM 465 CA ASN A 30 4.356 6.255 -5.327 1.00 0.00 C ATOM 466 C ASN A 30 3.738 5.199 -4.418 1.00 0.00 C ATOM 467 O ASN A 30 4.408 4.240 -4.028 1.00 0.00 O ATOM 468 CB ASN A 30 4.775 7.490 -4.523 1.00 0.00 C ATOM 469 CG ASN A 30 5.725 7.155 -3.388 1.00 0.00 C ATOM 470 OD1 ASN A 30 5.321 7.088 -2.228 1.00 0.00 O ATOM 471 ND2 ASN A 30 6.991 6.936 -3.716 1.00 0.00 N ATOM 0 H ASN A 30 3.114 7.580 -6.390 1.00 0.00 H new ATOM 0 HA ASN A 30 5.252 5.829 -5.777 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.251 8.208 -5.190 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.886 7.973 -4.117 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.672 6.702 -2.994 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.284 7.002 -4.691 1.00 0.00 H new ATOM 478 N ILE A 31 2.467 5.371 -4.087 1.00 0.00 N ATOM 479 CA ILE A 31 1.780 4.408 -3.245 1.00 0.00 C ATOM 480 C ILE A 31 1.689 3.049 -3.939 1.00 0.00 C ATOM 481 O ILE A 31 1.965 2.016 -3.342 1.00 0.00 O ATOM 482 CB ILE A 31 0.397 4.920 -2.809 1.00 0.00 C ATOM 483 CG1 ILE A 31 0.589 6.047 -1.797 1.00 0.00 C ATOM 484 CG2 ILE A 31 -0.464 3.807 -2.233 1.00 0.00 C ATOM 485 CD1 ILE A 31 -0.676 6.790 -1.467 1.00 0.00 C ATOM 0 H ILE A 31 1.896 6.162 -4.386 1.00 0.00 H new ATOM 0 HA ILE A 31 2.368 4.278 -2.336 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.132 5.297 -3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.005 5.631 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.322 6.753 -2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.432 4.212 -1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.609 3.032 -2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.031 3.378 -1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.459 7.575 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.083 7.237 -2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.405 6.098 -1.045 1.00 0.00 H new ATOM 497 N LEU A 32 1.318 3.058 -5.214 1.00 0.00 N ATOM 498 CA LEU A 32 1.212 1.825 -5.986 1.00 0.00 C ATOM 499 C LEU A 32 2.579 1.185 -6.267 1.00 0.00 C ATOM 500 O LEU A 32 2.696 -0.033 -6.304 1.00 0.00 O ATOM 501 CB LEU A 32 0.450 2.070 -7.291 1.00 0.00 C ATOM 502 CG LEU A 32 -1.057 2.306 -7.123 1.00 0.00 C ATOM 503 CD1 LEU A 32 -1.664 2.813 -8.417 1.00 0.00 C ATOM 504 CD2 LEU A 32 -1.747 1.026 -6.692 1.00 0.00 C ATOM 0 H LEU A 32 1.086 3.904 -5.735 1.00 0.00 H new ATOM 0 HA LEU A 32 0.652 1.116 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.885 2.935 -7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.598 1.213 -7.948 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.201 3.061 -6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.733 2.975 -8.279 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.188 3.753 -8.698 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.507 2.077 -9.205 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.815 1.209 -6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.590 0.256 -7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.332 0.691 -5.741 1.00 0.00 H new ATOM 516 N GLU A 33 3.603 2.009 -6.489 1.00 0.00 N ATOM 517 CA GLU A 33 4.948 1.503 -6.793 1.00 0.00 C ATOM 518 C GLU A 33 5.659 0.928 -5.561 1.00 0.00 C ATOM 519 O GLU A 33 6.632 0.190 -5.700 1.00 0.00 O ATOM 520 CB GLU A 33 5.807 2.601 -7.435 1.00 0.00 C ATOM 521 CG GLU A 33 6.398 3.577 -6.445 1.00 0.00 C ATOM 522 CD GLU A 33 7.147 4.715 -7.108 1.00 0.00 C ATOM 523 OE1 GLU A 33 7.381 4.641 -8.333 1.00 0.00 O ATOM 524 OE2 GLU A 33 7.492 5.688 -6.404 1.00 0.00 O ATOM 0 H GLU A 33 3.531 3.026 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 33 4.820 0.684 -7.500 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.616 2.133 -7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.198 3.151 -8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.599 3.987 -5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.075 3.044 -5.778 1.00 0.00 H new ATOM 531 N LYS A 34 5.199 1.277 -4.359 1.00 0.00 N ATOM 532 CA LYS A 34 5.830 0.767 -3.136 1.00 0.00 C ATOM 533 C LYS A 34 4.848 -0.031 -2.281 1.00 0.00 C ATOM 534 O LYS A 34 5.041 -1.222 -2.040 1.00 0.00 O ATOM 535 CB LYS A 34 6.412 1.913 -2.295 1.00 0.00 C ATOM 536 CG LYS A 34 7.416 2.789 -3.031 1.00 0.00 C ATOM 537 CD LYS A 34 8.635 1.995 -3.477 1.00 0.00 C ATOM 538 CE LYS A 34 9.653 2.886 -4.173 1.00 0.00 C ATOM 539 NZ LYS A 34 10.844 2.117 -4.627 1.00 0.00 N ATOM 0 H LYS A 34 4.406 1.900 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 34 6.635 0.105 -3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.593 2.539 -1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.895 1.491 -1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.937 3.240 -3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.731 3.606 -2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.097 1.518 -2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.325 1.198 -4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.185 3.371 -5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.969 3.677 -3.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.514 2.759 -5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.305 1.675 -3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.546 1.379 -5.296 1.00 0.00 H new ATOM 553 N GLU A 35 3.794 0.641 -1.829 1.00 0.00 N ATOM 554 CA GLU A 35 2.773 0.030 -0.978 1.00 0.00 C ATOM 555 C GLU A 35 2.010 -1.088 -1.692 1.00 0.00 C ATOM 556 O GLU A 35 1.694 -2.113 -1.091 1.00 0.00 O ATOM 557 CB GLU A 35 1.790 1.107 -0.492 1.00 0.00 C ATOM 558 CG GLU A 35 2.392 2.075 0.517 1.00 0.00 C ATOM 559 CD GLU A 35 2.884 1.386 1.774 1.00 0.00 C ATOM 560 OE1 GLU A 35 2.116 0.593 2.358 1.00 0.00 O ATOM 561 OE2 GLU A 35 4.039 1.640 2.175 1.00 0.00 O ATOM 0 H GLU A 35 3.622 1.624 -2.041 1.00 0.00 H new ATOM 0 HA GLU A 35 3.284 -0.421 -0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.428 1.671 -1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.924 0.620 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.222 2.607 0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.645 2.822 0.787 1.00 0.00 H new ATOM 568 N PHE A 36 1.714 -0.886 -2.970 1.00 0.00 N ATOM 569 CA PHE A 36 0.966 -1.875 -3.743 1.00 0.00 C ATOM 570 C PHE A 36 1.801 -2.498 -4.861 1.00 0.00 C ATOM 571 O PHE A 36 1.250 -3.017 -5.837 1.00 0.00 O ATOM 572 CB PHE A 36 -0.268 -1.213 -4.350 1.00 0.00 C ATOM 573 CG PHE A 36 -1.563 -1.858 -3.971 1.00 0.00 C ATOM 574 CD1 PHE A 36 -2.723 -1.108 -3.910 1.00 0.00 C ATOM 575 CD2 PHE A 36 -1.629 -3.212 -3.695 1.00 0.00 C ATOM 576 CE1 PHE A 36 -3.922 -1.695 -3.580 1.00 0.00 C ATOM 577 CE2 PHE A 36 -2.827 -3.803 -3.360 1.00 0.00 C ATOM 578 CZ PHE A 36 -3.974 -3.041 -3.305 1.00 0.00 C ATOM 0 H PHE A 36 1.978 -0.051 -3.493 1.00 0.00 H new ATOM 0 HA PHE A 36 0.682 -2.675 -3.060 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.293 -0.167 -4.043 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.174 -1.224 -5.436 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.687 -0.050 -4.124 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.732 -3.812 -3.743 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.822 -1.099 -3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.867 -4.860 -3.141 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.915 -3.502 -3.045 1.00 0.00 H new ATOM 588 N LYS A 37 3.122 -2.450 -4.719 1.00 0.00 N ATOM 589 CA LYS A 37 4.019 -2.994 -5.736 1.00 0.00 C ATOM 590 C LYS A 37 3.812 -4.496 -5.939 1.00 0.00 C ATOM 591 O LYS A 37 3.857 -5.277 -4.989 1.00 0.00 O ATOM 592 CB LYS A 37 5.474 -2.724 -5.353 1.00 0.00 C ATOM 593 CG LYS A 37 6.476 -3.151 -6.415 1.00 0.00 C ATOM 594 CD LYS A 37 7.899 -2.814 -6.006 1.00 0.00 C ATOM 595 CE LYS A 37 8.888 -3.163 -7.105 1.00 0.00 C ATOM 596 NZ LYS A 37 8.909 -4.624 -7.392 1.00 0.00 N ATOM 0 H LYS A 37 3.595 -2.042 -3.913 1.00 0.00 H new ATOM 0 HA LYS A 37 3.785 -2.494 -6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.597 -1.659 -5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.699 -3.247 -4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.390 -4.224 -6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.241 -2.657 -7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.971 -1.751 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.156 -3.357 -5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.628 -2.619 -8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.886 -2.837 -6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.708 -4.843 -8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.014 -5.151 -6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.019 -4.900 -7.855 1.00 0.00 H new ATOM 610 N GLY A 38 3.582 -4.885 -7.192 1.00 0.00 N ATOM 611 CA GLY A 38 3.401 -6.288 -7.522 1.00 0.00 C ATOM 612 C GLY A 38 1.958 -6.756 -7.456 1.00 0.00 C ATOM 613 O GLY A 38 1.655 -7.873 -7.876 1.00 0.00 O ATOM 0 H GLY A 38 3.518 -4.249 -7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.785 -6.467 -8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.000 -6.891 -6.840 1.00 0.00 H new ATOM 617 N VAL A 39 1.062 -5.923 -6.936 1.00 0.00 N ATOM 618 CA VAL A 39 -0.341 -6.314 -6.830 1.00 0.00 C ATOM 619 C VAL A 39 -1.243 -5.499 -7.756 1.00 0.00 C ATOM 620 O VAL A 39 -2.112 -6.058 -8.428 1.00 0.00 O ATOM 621 CB VAL A 39 -0.866 -6.193 -5.382 1.00 0.00 C ATOM 622 CG1 VAL A 39 -2.264 -6.793 -5.264 1.00 0.00 C ATOM 623 CG2 VAL A 39 0.090 -6.860 -4.402 1.00 0.00 C ATOM 0 H VAL A 39 1.276 -4.989 -6.587 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.377 -7.359 -7.137 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.926 -5.134 -5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.615 -6.698 -4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.945 -6.264 -5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.232 -7.847 -5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.300 -6.762 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.189 -7.916 -4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.067 -6.380 -4.462 1.00 0.00 H new ATOM 633 N TYR A 40 -1.047 -4.184 -7.802 1.00 0.00 N ATOM 634 CA TYR A 40 -1.898 -3.353 -8.648 1.00 0.00 C ATOM 635 C TYR A 40 -1.128 -2.772 -9.827 1.00 0.00 C ATOM 636 O TYR A 40 0.031 -2.375 -9.695 1.00 0.00 O ATOM 637 CB TYR A 40 -2.513 -2.213 -7.834 1.00 0.00 C ATOM 638 CG TYR A 40 -4.015 -2.240 -7.688 1.00 0.00 C ATOM 639 CD1 TYR A 40 -4.615 -2.850 -6.599 1.00 0.00 C ATOM 640 CD2 TYR A 40 -4.830 -1.616 -8.622 1.00 0.00 C ATOM 641 CE1 TYR A 40 -5.986 -2.838 -6.443 1.00 0.00 C ATOM 642 CE2 TYR A 40 -6.202 -1.607 -8.477 1.00 0.00 C ATOM 643 CZ TYR A 40 -6.774 -2.217 -7.384 1.00 0.00 C ATOM 644 OH TYR A 40 -8.140 -2.201 -7.228 1.00 0.00 O ATOM 0 H TYR A 40 -0.328 -3.682 -7.280 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.689 -3.995 -9.037 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.071 -2.225 -6.838 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.230 -1.268 -8.298 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.000 -3.343 -5.860 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.383 -1.129 -9.476 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.438 -3.314 -5.586 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.823 -1.124 -9.217 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.530 -1.533 -7.830 1.00 0.00 H new ATOM 654 N ALA A 41 -1.784 -2.724 -10.981 1.00 0.00 N ATOM 655 CA ALA A 41 -1.187 -2.156 -12.178 1.00 0.00 C ATOM 656 C ALA A 41 -1.785 -0.772 -12.423 1.00 0.00 C ATOM 657 O ALA A 41 -3.009 -0.625 -12.494 1.00 0.00 O ATOM 658 CB ALA A 41 -1.413 -3.066 -13.376 1.00 0.00 C ATOM 0 H ALA A 41 -2.733 -3.074 -11.110 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.110 -2.062 -12.037 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.958 -2.622 -14.261 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.960 -4.039 -13.185 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.483 -3.190 -13.542 1.00 0.00 H new ATOM 664 N LEU A 42 -0.934 0.241 -12.548 1.00 0.00 N ATOM 665 CA LEU A 42 -1.412 1.606 -12.752 1.00 0.00 C ATOM 666 C LEU A 42 -1.410 2.018 -14.220 1.00 0.00 C ATOM 667 O LEU A 42 -0.416 1.863 -14.930 1.00 0.00 O ATOM 668 CB LEU A 42 -0.579 2.598 -11.929 1.00 0.00 C ATOM 669 CG LEU A 42 -0.952 4.075 -12.104 1.00 0.00 C ATOM 670 CD1 LEU A 42 -2.391 4.329 -11.679 1.00 0.00 C ATOM 671 CD2 LEU A 42 0.000 4.961 -11.314 1.00 0.00 C ATOM 0 H LEU A 42 0.081 0.146 -12.512 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.447 1.627 -12.411 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.675 2.339 -10.874 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.471 2.472 -12.194 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.863 4.323 -13.162 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.629 5.384 -11.813 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.063 3.725 -12.289 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.513 4.060 -10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.279 6.006 -11.449 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.057 4.704 -10.256 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.019 4.808 -11.670 1.00 0.00 H new ATOM 683 N LYS A 43 -2.548 2.547 -14.650 1.00 0.00 N ATOM 684 CA LYS A 43 -2.739 3.029 -16.004 1.00 0.00 C ATOM 685 C LYS A 43 -3.243 4.461 -15.932 1.00 0.00 C ATOM 686 O LYS A 43 -4.142 4.770 -15.161 1.00 0.00 O ATOM 687 CB LYS A 43 -3.742 2.161 -16.767 1.00 0.00 C ATOM 688 CG LYS A 43 -3.120 1.290 -17.845 1.00 0.00 C ATOM 689 CD LYS A 43 -2.301 0.153 -17.253 1.00 0.00 C ATOM 690 CE LYS A 43 -1.814 -0.791 -18.338 1.00 0.00 C ATOM 691 NZ LYS A 43 -1.002 -1.909 -17.782 1.00 0.00 N ATOM 0 H LYS A 43 -3.372 2.653 -14.058 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.791 2.982 -16.539 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.266 1.521 -16.057 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.490 2.808 -17.225 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.906 0.879 -18.479 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.483 1.902 -18.484 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.448 0.559 -16.710 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.905 -0.397 -16.532 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.670 -1.198 -18.876 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.218 -0.235 -19.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.690 -2.530 -18.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.171 -1.523 -17.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.578 -2.456 -17.111 1.00 0.00 H new ATOM 705 N VAL A 44 -2.648 5.332 -16.720 1.00 0.00 N ATOM 706 CA VAL A 44 -3.017 6.740 -16.735 1.00 0.00 C ATOM 707 C VAL A 44 -3.484 7.159 -18.120 1.00 0.00 C ATOM 708 O VAL A 44 -2.816 6.909 -19.125 1.00 0.00 O ATOM 709 CB VAL A 44 -1.834 7.612 -16.269 1.00 0.00 C ATOM 710 CG1 VAL A 44 -2.158 9.096 -16.375 1.00 0.00 C ATOM 711 CG2 VAL A 44 -1.446 7.257 -14.838 1.00 0.00 C ATOM 0 H VAL A 44 -1.898 5.090 -17.367 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.845 6.886 -16.041 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.990 7.407 -16.928 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.302 9.680 -16.038 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.383 9.346 -17.412 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.022 9.325 -15.751 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.610 7.881 -14.522 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.296 7.428 -14.177 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.155 6.208 -14.790 1.00 0.00 H new ATOM 721 N ILE A 45 -4.648 7.796 -18.149 1.00 0.00 N ATOM 722 CA ILE A 45 -5.268 8.234 -19.383 1.00 0.00 C ATOM 723 C ILE A 45 -5.275 9.762 -19.449 1.00 0.00 C ATOM 724 O ILE A 45 -5.901 10.420 -18.614 1.00 0.00 O ATOM 725 CB ILE A 45 -6.728 7.719 -19.423 1.00 0.00 C ATOM 726 CG1 ILE A 45 -6.780 6.210 -19.137 1.00 0.00 C ATOM 727 CG2 ILE A 45 -7.411 8.039 -20.753 1.00 0.00 C ATOM 728 CD1 ILE A 45 -6.004 5.355 -20.112 1.00 0.00 C ATOM 0 H ILE A 45 -5.186 8.022 -17.312 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.706 7.840 -20.230 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.278 8.242 -18.641 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.396 6.031 -18.133 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.822 5.889 -19.142 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.433 7.660 -20.738 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.427 9.118 -20.904 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.861 7.567 -21.567 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.098 4.306 -19.831 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.400 5.499 -21.117 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.953 5.643 -20.092 1.00 0.00 H new ATOM 740 N ASP A 46 -4.569 10.329 -20.423 1.00 0.00 N ATOM 741 CA ASP A 46 -4.529 11.780 -20.578 1.00 0.00 C ATOM 742 C ASP A 46 -5.714 12.224 -21.430 1.00 0.00 C ATOM 743 O ASP A 46 -5.687 12.096 -22.656 1.00 0.00 O ATOM 744 CB ASP A 46 -3.210 12.211 -21.233 1.00 0.00 C ATOM 745 CG ASP A 46 -3.011 13.720 -21.241 1.00 0.00 C ATOM 746 OD1 ASP A 46 -3.957 14.459 -20.885 1.00 0.00 O ATOM 747 OD2 ASP A 46 -1.904 14.165 -21.604 1.00 0.00 O ATOM 0 H ASP A 46 -4.022 9.812 -21.111 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.591 12.251 -19.597 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.379 11.744 -20.704 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.183 11.842 -22.258 1.00 0.00 H new ATOM 752 N VAL A 47 -6.741 12.752 -20.776 1.00 0.00 N ATOM 753 CA VAL A 47 -7.957 13.174 -21.469 1.00 0.00 C ATOM 754 C VAL A 47 -7.740 14.363 -22.418 1.00 0.00 C ATOM 755 O VAL A 47 -8.387 14.438 -23.462 1.00 0.00 O ATOM 756 CB VAL A 47 -9.086 13.501 -20.464 1.00 0.00 C ATOM 757 CG1 VAL A 47 -9.374 12.293 -19.581 1.00 0.00 C ATOM 758 CG2 VAL A 47 -8.741 14.714 -19.611 1.00 0.00 C ATOM 0 H VAL A 47 -6.759 12.899 -19.767 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.253 12.325 -22.086 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.982 13.743 -21.036 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.171 12.538 -18.878 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.684 11.453 -20.203 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.474 12.023 -19.029 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.557 14.914 -18.917 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.827 14.517 -19.050 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.591 15.581 -20.255 1.00 0.00 H new ATOM 768 N LEU A 48 -6.852 15.294 -22.065 1.00 0.00 N ATOM 769 CA LEU A 48 -6.587 16.448 -22.929 1.00 0.00 C ATOM 770 C LEU A 48 -5.835 16.048 -24.195 1.00 0.00 C ATOM 771 O LEU A 48 -6.072 16.606 -25.266 1.00 0.00 O ATOM 772 CB LEU A 48 -5.824 17.554 -22.194 1.00 0.00 C ATOM 773 CG LEU A 48 -6.626 18.299 -21.125 1.00 0.00 C ATOM 774 CD1 LEU A 48 -5.744 19.299 -20.395 1.00 0.00 C ATOM 775 CD2 LEU A 48 -7.824 19.004 -21.749 1.00 0.00 C ATOM 0 H LEU A 48 -6.311 15.274 -21.201 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.562 16.842 -23.217 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.943 17.116 -21.725 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.468 18.277 -22.928 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.992 17.570 -20.402 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.332 19.819 -19.639 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.919 18.773 -19.915 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.348 20.023 -21.107 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.382 19.528 -20.973 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.477 19.720 -22.494 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.471 18.268 -22.227 1.00 0.00 H new ATOM 787 N LYS A 49 -4.922 15.090 -24.063 1.00 0.00 N ATOM 788 CA LYS A 49 -4.131 14.623 -25.198 1.00 0.00 C ATOM 789 C LYS A 49 -5.000 13.844 -26.178 1.00 0.00 C ATOM 790 O LYS A 49 -4.864 13.984 -27.393 1.00 0.00 O ATOM 791 CB LYS A 49 -2.970 13.755 -24.715 1.00 0.00 C ATOM 792 CG LYS A 49 -2.052 13.287 -25.831 1.00 0.00 C ATOM 793 CD LYS A 49 -0.899 12.473 -25.282 1.00 0.00 C ATOM 794 CE LYS A 49 0.025 11.996 -26.389 1.00 0.00 C ATOM 795 NZ LYS A 49 1.168 11.203 -25.861 1.00 0.00 N ATOM 0 H LYS A 49 -4.711 14.622 -23.182 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.727 15.494 -25.714 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.385 14.318 -23.988 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.370 12.884 -24.197 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.618 12.687 -26.544 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.666 14.149 -26.375 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.334 13.075 -24.570 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.287 11.613 -24.736 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.540 11.389 -27.096 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.405 12.857 -26.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.773 10.898 -26.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.724 11.789 -25.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.808 10.367 -25.358 1.00 0.00 H new ATOM 809 N ASN A 50 -5.897 13.024 -25.645 1.00 0.00 N ATOM 810 CA ASN A 50 -6.789 12.234 -26.483 1.00 0.00 C ATOM 811 C ASN A 50 -8.224 12.407 -26.020 1.00 0.00 C ATOM 812 O ASN A 50 -8.729 11.625 -25.208 1.00 0.00 O ATOM 813 CB ASN A 50 -6.412 10.759 -26.436 1.00 0.00 C ATOM 814 CG ASN A 50 -7.041 9.958 -27.562 1.00 0.00 C ATOM 815 OD1 ASN A 50 -8.257 9.953 -27.741 1.00 0.00 O ATOM 816 ND2 ASN A 50 -6.207 9.274 -28.335 1.00 0.00 N ATOM 0 H ASN A 50 -6.026 12.889 -24.642 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.692 12.586 -27.510 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.328 10.663 -26.489 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.722 10.339 -25.479 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.569 8.719 -29.110 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.204 9.304 -28.154 1.00 0.00 H new ATOM 823 N PRO A 51 -8.889 13.447 -26.526 1.00 0.00 N ATOM 824 CA PRO A 51 -10.275 13.755 -26.174 1.00 0.00 C ATOM 825 C PRO A 51 -11.242 12.635 -26.554 1.00 0.00 C ATOM 826 O PRO A 51 -12.278 12.456 -25.915 1.00 0.00 O ATOM 827 CB PRO A 51 -10.571 15.030 -26.972 1.00 0.00 C ATOM 828 CG PRO A 51 -9.226 15.596 -27.279 1.00 0.00 C ATOM 829 CD PRO A 51 -8.347 14.410 -27.497 1.00 0.00 C ATOM 0 HA PRO A 51 -10.404 13.874 -25.098 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.126 14.808 -27.883 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.174 15.730 -26.394 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.258 16.231 -28.164 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.860 16.212 -26.458 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.410 14.038 -28.520 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.299 14.638 -27.304 1.00 0.00 H new ATOM 837 N GLN A 52 -10.892 11.893 -27.602 1.00 0.00 N ATOM 838 CA GLN A 52 -11.718 10.790 -28.080 1.00 0.00 C ATOM 839 C GLN A 52 -11.839 9.711 -27.021 1.00 0.00 C ATOM 840 O GLN A 52 -12.924 9.186 -26.793 1.00 0.00 O ATOM 841 CB GLN A 52 -11.121 10.191 -29.357 1.00 0.00 C ATOM 842 CG GLN A 52 -11.208 11.108 -30.571 1.00 0.00 C ATOM 843 CD GLN A 52 -9.963 11.956 -30.767 1.00 0.00 C ATOM 844 OE1 GLN A 52 -9.226 12.232 -29.819 1.00 0.00 O ATOM 845 NE2 GLN A 52 -9.721 12.376 -32.001 1.00 0.00 N ATOM 0 H GLN A 52 -10.037 12.038 -28.138 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.711 11.182 -28.298 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.075 9.944 -29.176 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.635 9.257 -29.583 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -11.374 10.505 -31.464 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -12.073 11.762 -30.463 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.356 12.125 -32.759 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.900 12.950 -32.193 1.00 0.00 H new ATOM 854 N LEU A 53 -10.731 9.403 -26.354 1.00 0.00 N ATOM 855 CA LEU A 53 -10.750 8.381 -25.319 1.00 0.00 C ATOM 856 C LEU A 53 -11.524 8.879 -24.110 1.00 0.00 C ATOM 857 O LEU A 53 -12.233 8.112 -23.455 1.00 0.00 O ATOM 858 CB LEU A 53 -9.338 7.943 -24.931 1.00 0.00 C ATOM 859 CG LEU A 53 -8.577 7.191 -26.025 1.00 0.00 C ATOM 860 CD1 LEU A 53 -7.148 6.912 -25.588 1.00 0.00 C ATOM 861 CD2 LEU A 53 -9.295 5.898 -26.384 1.00 0.00 C ATOM 0 H LEU A 53 -9.823 9.840 -26.510 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.255 7.502 -25.719 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.763 8.825 -24.649 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.400 7.307 -24.048 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.543 7.820 -26.915 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.623 6.377 -26.379 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.638 7.854 -25.388 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.156 6.305 -24.683 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.739 5.377 -27.164 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.363 5.263 -25.501 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.298 6.127 -26.745 1.00 0.00 H new ATOM 873 N ALA A 54 -11.378 10.174 -23.815 1.00 0.00 N ATOM 874 CA ALA A 54 -12.082 10.784 -22.696 1.00 0.00 C ATOM 875 C ALA A 54 -13.584 10.737 -22.932 1.00 0.00 C ATOM 876 O ALA A 54 -14.357 10.455 -22.022 1.00 0.00 O ATOM 877 CB ALA A 54 -11.626 12.220 -22.500 1.00 0.00 C ATOM 0 H ALA A 54 -10.779 10.814 -24.337 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.850 10.221 -21.792 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.162 12.661 -21.660 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.555 12.237 -22.296 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.833 12.794 -23.403 1.00 0.00 H new ATOM 883 N GLU A 55 -13.980 11.028 -24.168 1.00 0.00 N ATOM 884 CA GLU A 55 -15.384 11.005 -24.564 1.00 0.00 C ATOM 885 C GLU A 55 -15.921 9.579 -24.535 1.00 0.00 C ATOM 886 O GLU A 55 -17.064 9.348 -24.138 1.00 0.00 O ATOM 887 CB GLU A 55 -15.568 11.610 -25.959 1.00 0.00 C ATOM 888 CG GLU A 55 -17.024 11.697 -26.398 1.00 0.00 C ATOM 889 CD GLU A 55 -17.191 12.343 -27.761 1.00 0.00 C ATOM 890 OE1 GLU A 55 -16.168 12.718 -28.372 1.00 0.00 O ATOM 891 OE2 GLU A 55 -18.345 12.475 -28.215 1.00 0.00 O ATOM 0 H GLU A 55 -13.340 11.285 -24.920 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.947 11.608 -23.851 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.133 12.609 -25.973 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.014 11.011 -26.682 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.452 10.695 -26.421 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.588 12.267 -25.660 1.00 0.00 H new ATOM 898 N GLU A 56 -15.091 8.626 -24.954 1.00 0.00 N ATOM 899 CA GLU A 56 -15.485 7.221 -24.977 1.00 0.00 C ATOM 900 C GLU A 56 -15.833 6.733 -23.572 1.00 0.00 C ATOM 901 O GLU A 56 -16.797 5.989 -23.394 1.00 0.00 O ATOM 902 CB GLU A 56 -14.365 6.358 -25.571 1.00 0.00 C ATOM 903 CG GLU A 56 -14.142 6.576 -27.064 1.00 0.00 C ATOM 904 CD GLU A 56 -15.372 6.275 -27.898 1.00 0.00 C ATOM 905 OE1 GLU A 56 -15.965 5.192 -27.712 1.00 0.00 O ATOM 906 OE2 GLU A 56 -15.743 7.126 -28.733 1.00 0.00 O ATOM 0 H GLU A 56 -14.141 8.802 -25.282 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.371 7.129 -25.606 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.437 6.569 -25.040 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.599 5.307 -25.398 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.839 7.609 -27.233 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.319 5.944 -27.399 1.00 0.00 H new ATOM 913 N ASP A 57 -15.052 7.146 -22.573 1.00 0.00 N ATOM 914 CA ASP A 57 -15.335 6.742 -21.197 1.00 0.00 C ATOM 915 C ASP A 57 -16.072 7.854 -20.443 1.00 0.00 C ATOM 916 O ASP A 57 -16.182 7.813 -19.215 1.00 0.00 O ATOM 917 CB ASP A 57 -14.052 6.334 -20.459 1.00 0.00 C ATOM 918 CG ASP A 57 -14.333 5.382 -19.313 1.00 0.00 C ATOM 919 OD1 ASP A 57 -15.303 4.601 -19.415 1.00 0.00 O ATOM 920 OD2 ASP A 57 -13.583 5.413 -18.317 1.00 0.00 O ATOM 0 H ASP A 57 -14.236 7.747 -22.687 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.986 5.868 -21.234 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.364 5.863 -21.161 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.555 7.225 -20.076 1.00 0.00 H new ATOM 925 N LYS A 58 -16.579 8.830 -21.203 1.00 0.00 N ATOM 926 CA LYS A 58 -17.348 9.964 -20.668 1.00 0.00 C ATOM 927 C LYS A 58 -16.682 10.622 -19.458 1.00 0.00 C ATOM 928 O LYS A 58 -17.299 10.773 -18.401 1.00 0.00 O ATOM 929 CB LYS A 58 -18.772 9.522 -20.314 1.00 0.00 C ATOM 930 CG LYS A 58 -19.716 9.499 -21.510 1.00 0.00 C ATOM 931 CD LYS A 58 -19.738 8.132 -22.178 1.00 0.00 C ATOM 932 CE LYS A 58 -20.785 8.067 -23.278 1.00 0.00 C ATOM 933 NZ LYS A 58 -20.811 6.734 -23.940 1.00 0.00 N ATOM 0 H LYS A 58 -16.467 8.858 -22.217 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.383 10.717 -21.455 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.735 8.527 -19.871 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.175 10.194 -19.556 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -20.723 9.762 -21.185 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.407 10.253 -22.233 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.755 7.914 -22.596 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -19.944 7.364 -21.432 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -21.767 8.283 -22.858 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -20.580 8.838 -24.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -21.538 6.730 -24.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.881 6.538 -24.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.032 6.001 -23.236 1.00 0.00 H new ATOM 947 N ILE A 59 -15.429 11.024 -19.618 1.00 0.00 N ATOM 948 CA ILE A 59 -14.695 11.669 -18.537 1.00 0.00 C ATOM 949 C ILE A 59 -14.916 13.182 -18.573 1.00 0.00 C ATOM 950 O ILE A 59 -14.415 13.872 -19.461 1.00 0.00 O ATOM 951 CB ILE A 59 -13.184 11.365 -18.636 1.00 0.00 C ATOM 952 CG1 ILE A 59 -12.944 9.852 -18.666 1.00 0.00 C ATOM 953 CG2 ILE A 59 -12.424 12.005 -17.479 1.00 0.00 C ATOM 954 CD1 ILE A 59 -13.454 9.126 -17.439 1.00 0.00 C ATOM 0 H ILE A 59 -14.900 10.916 -20.483 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.070 11.271 -17.594 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.810 11.794 -19.565 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -13.427 9.435 -19.550 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -11.875 9.665 -18.769 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -11.362 11.777 -17.571 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.566 13.085 -17.503 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -12.800 11.611 -16.535 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -13.247 8.060 -17.535 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.953 9.514 -16.552 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.529 9.280 -17.346 1.00 0.00 H new ATOM 966 N LEU A 60 -15.677 13.689 -17.606 1.00 0.00 N ATOM 967 CA LEU A 60 -15.972 15.119 -17.536 1.00 0.00 C ATOM 968 C LEU A 60 -15.227 15.809 -16.394 1.00 0.00 C ATOM 969 O LEU A 60 -15.234 17.034 -16.295 1.00 0.00 O ATOM 970 CB LEU A 60 -17.480 15.340 -17.375 1.00 0.00 C ATOM 971 CG LEU A 60 -18.350 14.769 -18.499 1.00 0.00 C ATOM 972 CD1 LEU A 60 -19.824 14.977 -18.191 1.00 0.00 C ATOM 973 CD2 LEU A 60 -17.991 15.410 -19.833 1.00 0.00 C ATOM 0 H LEU A 60 -16.100 13.134 -16.862 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.630 15.563 -18.471 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.797 14.895 -16.432 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.668 16.411 -17.302 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.159 13.698 -18.569 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -20.427 14.565 -19.001 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.076 14.472 -17.258 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -20.028 16.043 -18.093 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -18.620 14.991 -20.619 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.152 16.486 -19.774 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.944 15.212 -20.062 1.00 0.00 H new ATOM 985 N ALA A 61 -14.583 15.026 -15.531 1.00 0.00 N ATOM 986 CA ALA A 61 -13.850 15.590 -14.401 1.00 0.00 C ATOM 987 C ALA A 61 -12.535 14.858 -14.173 1.00 0.00 C ATOM 988 O ALA A 61 -12.476 13.634 -14.266 1.00 0.00 O ATOM 989 CB ALA A 61 -14.704 15.538 -13.139 1.00 0.00 C ATOM 0 H ALA A 61 -14.554 14.008 -15.592 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.621 16.630 -14.636 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.146 15.962 -12.304 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.617 16.113 -13.294 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.961 14.502 -12.916 1.00 0.00 H new ATOM 995 N THR A 62 -11.488 15.615 -13.859 1.00 0.00 N ATOM 996 CA THR A 62 -10.167 15.060 -13.611 1.00 0.00 C ATOM 997 C THR A 62 -9.543 15.697 -12.368 1.00 0.00 C ATOM 998 O THR A 62 -9.798 16.864 -12.069 1.00 0.00 O ATOM 999 CB THR A 62 -9.215 15.314 -14.801 1.00 0.00 C ATOM 1000 OG1 THR A 62 -9.139 16.718 -15.069 1.00 0.00 O ATOM 1001 CG2 THR A 62 -9.666 14.582 -16.057 1.00 0.00 C ATOM 0 H THR A 62 -11.534 16.630 -13.770 1.00 0.00 H new ATOM 0 HA THR A 62 -10.296 13.987 -13.468 1.00 0.00 H new ATOM 0 HB THR A 62 -8.233 14.931 -14.524 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.253 17.052 -14.817 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.968 14.788 -16.869 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.691 13.510 -15.864 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.662 14.923 -16.339 1.00 0.00 H new ATOM 1009 N PRO A 63 -8.711 14.939 -11.634 1.00 0.00 N ATOM 1010 CA PRO A 63 -8.420 13.544 -11.958 1.00 0.00 C ATOM 1011 C PRO A 63 -9.572 12.603 -11.599 1.00 0.00 C ATOM 1012 O PRO A 63 -10.348 12.863 -10.679 1.00 0.00 O ATOM 1013 CB PRO A 63 -7.185 13.235 -11.115 1.00 0.00 C ATOM 1014 CG PRO A 63 -7.266 14.161 -9.954 1.00 0.00 C ATOM 1015 CD PRO A 63 -7.968 15.402 -10.445 1.00 0.00 C ATOM 0 HA PRO A 63 -8.268 13.398 -13.028 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.180 12.195 -10.790 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.269 13.395 -11.684 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.816 13.704 -9.131 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.271 14.401 -9.579 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.638 15.809 -9.688 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.258 16.189 -10.698 1.00 0.00 H new ATOM 1023 N THR A 64 -9.668 11.512 -12.338 1.00 0.00 N ATOM 1024 CA THR A 64 -10.696 10.504 -12.105 1.00 0.00 C ATOM 1025 C THR A 64 -10.040 9.193 -11.695 1.00 0.00 C ATOM 1026 O THR A 64 -9.184 8.671 -12.411 1.00 0.00 O ATOM 1027 CB THR A 64 -11.559 10.244 -13.356 1.00 0.00 C ATOM 1028 OG1 THR A 64 -11.382 11.296 -14.307 1.00 0.00 O ATOM 1029 CG2 THR A 64 -13.034 10.116 -12.992 1.00 0.00 C ATOM 0 H THR A 64 -9.041 11.297 -13.113 1.00 0.00 H new ATOM 0 HA THR A 64 -11.344 10.885 -11.316 1.00 0.00 H new ATOM 0 HB THR A 64 -11.233 9.302 -13.797 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.788 12.119 -13.963 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.617 9.933 -13.895 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.167 9.285 -12.299 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.374 11.038 -12.521 1.00 0.00 H new ATOM 1037 N LEU A 65 -10.437 8.668 -10.547 1.00 0.00 N ATOM 1038 CA LEU A 65 -9.885 7.418 -10.047 1.00 0.00 C ATOM 1039 C LEU A 65 -10.881 6.290 -10.290 1.00 0.00 C ATOM 1040 O LEU A 65 -11.972 6.295 -9.728 1.00 0.00 O ATOM 1041 CB LEU A 65 -9.595 7.546 -8.546 1.00 0.00 C ATOM 1042 CG LEU A 65 -8.761 6.420 -7.936 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -7.326 6.501 -8.430 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -8.801 6.481 -6.417 1.00 0.00 C ATOM 0 H LEU A 65 -11.142 9.089 -9.942 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.955 7.195 -10.571 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.079 8.491 -8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.545 7.600 -8.014 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.188 5.468 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.743 5.693 -7.988 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.309 6.408 -9.516 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.895 7.460 -8.141 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.201 5.670 -6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.400 7.437 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.831 6.379 -6.076 1.00 0.00 H new ATOM 1056 N ALA A 66 -10.521 5.326 -11.129 1.00 0.00 N ATOM 1057 CA ALA A 66 -11.425 4.217 -11.416 1.00 0.00 C ATOM 1058 C ALA A 66 -10.686 2.895 -11.573 1.00 0.00 C ATOM 1059 O ALA A 66 -9.624 2.819 -12.191 1.00 0.00 O ATOM 1060 CB ALA A 66 -12.245 4.495 -12.666 1.00 0.00 C ATOM 0 H ALA A 66 -9.625 5.288 -11.616 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.091 4.129 -10.558 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.911 3.654 -12.859 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.836 5.399 -12.520 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.577 4.631 -13.516 1.00 0.00 H new ATOM 1066 N LYS A 67 -11.283 1.858 -11.003 1.00 0.00 N ATOM 1067 CA LYS A 67 -10.750 0.515 -11.077 1.00 0.00 C ATOM 1068 C LYS A 67 -11.506 -0.226 -12.165 1.00 0.00 C ATOM 1069 O LYS A 67 -12.664 -0.603 -11.978 1.00 0.00 O ATOM 1070 CB LYS A 67 -10.911 -0.188 -9.716 1.00 0.00 C ATOM 1071 CG LYS A 67 -10.889 -1.713 -9.778 1.00 0.00 C ATOM 1072 CD LYS A 67 -11.100 -2.329 -8.400 1.00 0.00 C ATOM 1073 CE LYS A 67 -12.519 -2.852 -8.220 1.00 0.00 C ATOM 1074 NZ LYS A 67 -12.620 -4.309 -8.502 1.00 0.00 N ATOM 0 H LYS A 67 -12.153 1.930 -10.476 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.687 0.533 -11.316 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.113 0.146 -9.053 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.852 0.130 -9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.667 -2.062 -10.457 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.935 -2.048 -10.186 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.392 -3.145 -8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.888 -1.584 -7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.850 -2.657 -7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.192 -2.308 -8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.479 -4.690 -8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.665 -4.461 -9.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.786 -4.796 -8.116 1.00 0.00 H new ATOM 1088 N VAL A 68 -10.872 -0.406 -13.309 1.00 0.00 N ATOM 1089 CA VAL A 68 -11.519 -1.085 -14.416 1.00 0.00 C ATOM 1090 C VAL A 68 -11.453 -2.595 -14.250 1.00 0.00 C ATOM 1091 O VAL A 68 -12.332 -3.317 -14.722 1.00 0.00 O ATOM 1092 CB VAL A 68 -10.910 -0.668 -15.770 1.00 0.00 C ATOM 1093 CG1 VAL A 68 -11.150 0.812 -16.026 1.00 0.00 C ATOM 1094 CG2 VAL A 68 -9.423 -0.989 -15.826 1.00 0.00 C ATOM 0 H VAL A 68 -9.919 -0.095 -13.495 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.566 -0.783 -14.409 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.404 -1.241 -16.554 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.714 1.091 -16.985 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.222 1.009 -16.043 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.686 1.398 -15.233 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.021 -0.684 -16.792 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.905 -0.452 -15.031 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.277 -2.061 -15.695 1.00 0.00 H new ATOM 1104 N LEU A 69 -10.414 -3.068 -13.571 1.00 0.00 N ATOM 1105 CA LEU A 69 -10.252 -4.502 -13.349 1.00 0.00 C ATOM 1106 C LEU A 69 -9.811 -4.788 -11.918 1.00 0.00 C ATOM 1107 O LEU A 69 -9.007 -4.046 -11.356 1.00 0.00 O ATOM 1108 CB LEU A 69 -9.226 -5.089 -14.329 1.00 0.00 C ATOM 1109 CG LEU A 69 -9.608 -5.019 -15.812 1.00 0.00 C ATOM 1110 CD1 LEU A 69 -8.434 -5.436 -16.685 1.00 0.00 C ATOM 1111 CD2 LEU A 69 -10.816 -5.900 -16.098 1.00 0.00 C ATOM 0 H LEU A 69 -9.678 -2.488 -13.168 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.220 -4.973 -13.519 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.279 -4.566 -14.192 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.055 -6.133 -14.066 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.869 -3.987 -16.048 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.723 -5.380 -17.734 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.591 -4.768 -16.505 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.145 -6.459 -16.442 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.071 -5.836 -17.156 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.581 -6.933 -15.843 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.662 -5.562 -15.500 1.00 0.00 H new ATOM 1123 N PRO A 70 -10.322 -5.874 -11.307 1.00 0.00 N ATOM 1124 CA PRO A 70 -11.300 -6.772 -11.937 1.00 0.00 C ATOM 1125 C PRO A 70 -12.721 -6.192 -11.913 1.00 0.00 C ATOM 1126 O PRO A 70 -13.027 -5.333 -11.085 1.00 0.00 O ATOM 1127 CB PRO A 70 -11.215 -8.025 -11.065 1.00 0.00 C ATOM 1128 CG PRO A 70 -10.867 -7.508 -9.713 1.00 0.00 C ATOM 1129 CD PRO A 70 -9.964 -6.325 -9.946 1.00 0.00 C ATOM 0 HA PRO A 70 -11.087 -6.948 -12.991 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.161 -8.566 -11.053 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.457 -8.716 -11.434 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.762 -7.215 -9.164 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.365 -8.272 -9.119 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.132 -5.541 -9.207 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.913 -6.605 -9.880 1.00 0.00 H new ATOM 1137 N PRO A 71 -13.599 -6.638 -12.836 1.00 0.00 N ATOM 1138 CA PRO A 71 -14.995 -6.175 -12.903 1.00 0.00 C ATOM 1139 C PRO A 71 -15.769 -6.484 -11.618 1.00 0.00 C ATOM 1140 O PRO A 71 -15.480 -7.475 -10.944 1.00 0.00 O ATOM 1141 CB PRO A 71 -15.580 -6.966 -14.078 1.00 0.00 C ATOM 1142 CG PRO A 71 -14.400 -7.352 -14.893 1.00 0.00 C ATOM 1143 CD PRO A 71 -13.302 -7.607 -13.903 1.00 0.00 C ATOM 0 HA PRO A 71 -15.059 -5.094 -13.026 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.127 -7.843 -13.732 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -16.279 -6.361 -14.655 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -14.607 -8.241 -15.489 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.126 -6.559 -15.589 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.319 -8.633 -13.535 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.317 -7.441 -14.339 1.00 0.00 H new ATOM 1151 N PRO A 72 -16.777 -5.661 -11.258 1.00 0.00 N ATOM 1152 CA PRO A 72 -17.191 -4.473 -12.027 1.00 0.00 C ATOM 1153 C PRO A 72 -16.265 -3.269 -11.836 1.00 0.00 C ATOM 1154 O PRO A 72 -15.423 -3.254 -10.940 1.00 0.00 O ATOM 1155 CB PRO A 72 -18.577 -4.172 -11.460 1.00 0.00 C ATOM 1156 CG PRO A 72 -18.498 -4.626 -10.044 1.00 0.00 C ATOM 1157 CD PRO A 72 -17.609 -5.842 -10.051 1.00 0.00 C ATOM 0 HA PRO A 72 -17.168 -4.661 -13.100 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -18.812 -3.110 -11.525 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -19.355 -4.705 -12.006 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.086 -3.845 -9.405 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.487 -4.867 -9.655 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.999 -5.897 -9.149 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -18.190 -6.763 -10.100 1.00 0.00 H new ATOM 1165 N VAL A 73 -16.437 -2.263 -12.691 1.00 0.00 N ATOM 1166 CA VAL A 73 -15.626 -1.051 -12.628 1.00 0.00 C ATOM 1167 C VAL A 73 -16.029 -0.188 -11.428 1.00 0.00 C ATOM 1168 O VAL A 73 -17.203 0.143 -11.252 1.00 0.00 O ATOM 1169 CB VAL A 73 -15.762 -0.223 -13.927 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -14.952 1.066 -13.849 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -15.339 -1.051 -15.134 1.00 0.00 C ATOM 0 H VAL A 73 -17.133 -2.264 -13.437 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.587 -1.359 -12.513 1.00 0.00 H new ATOM 0 HB VAL A 73 -16.811 0.050 -14.043 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -15.068 1.626 -14.777 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.308 1.670 -13.014 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.899 0.826 -13.700 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.441 -0.453 -16.039 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.300 -1.359 -15.018 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.973 -1.934 -15.209 1.00 0.00 H new ATOM 1181 N ARG A 74 -15.044 0.171 -10.612 1.00 0.00 N ATOM 1182 CA ARG A 74 -15.278 0.989 -9.425 1.00 0.00 C ATOM 1183 C ARG A 74 -14.680 2.377 -9.591 1.00 0.00 C ATOM 1184 O ARG A 74 -13.473 2.528 -9.753 1.00 0.00 O ATOM 1185 CB ARG A 74 -14.684 0.294 -8.191 1.00 0.00 C ATOM 1186 CG ARG A 74 -14.624 1.166 -6.941 1.00 0.00 C ATOM 1187 CD ARG A 74 -16.011 1.581 -6.471 1.00 0.00 C ATOM 1188 NE ARG A 74 -16.815 0.437 -6.047 1.00 0.00 N ATOM 1189 CZ ARG A 74 -18.099 0.519 -5.715 1.00 0.00 C ATOM 1190 NH1 ARG A 74 -18.722 1.691 -5.755 1.00 0.00 N ATOM 1191 NH2 ARG A 74 -18.761 -0.568 -5.342 1.00 0.00 N ATOM 0 H ARG A 74 -14.069 -0.093 -10.752 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.354 1.103 -9.290 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.275 -0.595 -7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.676 -0.045 -8.431 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.118 0.622 -6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.029 2.056 -7.147 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -15.917 2.284 -5.643 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.524 2.105 -7.277 1.00 0.00 H new ATOM 0 HE ARG A 74 -16.365 -0.477 -6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.215 2.529 -6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.708 1.754 -5.500 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -18.285 -1.469 -5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -19.747 -0.503 -5.088 1.00 0.00 H new ATOM 1205 N ARG A 75 -15.531 3.395 -9.538 1.00 0.00 N ATOM 1206 CA ARG A 75 -15.068 4.764 -9.665 1.00 0.00 C ATOM 1207 C ARG A 75 -15.033 5.441 -8.304 1.00 0.00 C ATOM 1208 O ARG A 75 -16.047 5.538 -7.611 1.00 0.00 O ATOM 1209 CB ARG A 75 -15.952 5.564 -10.617 1.00 0.00 C ATOM 1210 CG ARG A 75 -15.760 5.203 -12.079 1.00 0.00 C ATOM 1211 CD ARG A 75 -16.596 6.090 -12.984 1.00 0.00 C ATOM 1212 NE ARG A 75 -18.027 5.804 -12.872 1.00 0.00 N ATOM 1213 CZ ARG A 75 -18.912 6.629 -12.313 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -18.520 7.795 -11.816 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -20.192 6.284 -12.254 1.00 0.00 N ATOM 0 H ARG A 75 -16.538 3.296 -9.409 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.060 4.734 -10.078 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.996 5.406 -10.347 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.745 6.626 -10.484 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.707 5.300 -12.344 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.033 4.160 -12.236 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.416 7.135 -12.732 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.280 5.952 -14.018 1.00 0.00 H new ATOM 0 HE ARG A 75 -18.368 4.918 -13.245 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.537 8.064 -11.861 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.202 8.423 -11.389 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -20.497 5.389 -12.636 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.871 6.914 -11.827 1.00 0.00 H new ATOM 1229 N ILE A 76 -13.854 5.906 -7.936 1.00 0.00 N ATOM 1230 CA ILE A 76 -13.654 6.586 -6.668 1.00 0.00 C ATOM 1231 C ILE A 76 -13.485 8.086 -6.913 1.00 0.00 C ATOM 1232 O ILE A 76 -12.542 8.510 -7.584 1.00 0.00 O ATOM 1233 CB ILE A 76 -12.415 6.034 -5.939 1.00 0.00 C ATOM 1234 CG1 ILE A 76 -12.554 4.520 -5.766 1.00 0.00 C ATOM 1235 CG2 ILE A 76 -12.237 6.716 -4.586 1.00 0.00 C ATOM 1236 CD1 ILE A 76 -11.336 3.869 -5.169 1.00 0.00 C ATOM 0 H ILE A 76 -13.011 5.824 -8.504 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.527 6.413 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.529 6.243 -6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.415 4.313 -5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.758 4.069 -6.737 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.356 6.311 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.110 7.789 -4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.118 6.536 -3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.506 2.796 -5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.476 4.045 -5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.143 4.293 -4.184 1.00 0.00 H new ATOM 1248 N ILE A 77 -14.395 8.891 -6.375 1.00 0.00 N ATOM 1249 CA ILE A 77 -14.335 10.336 -6.566 1.00 0.00 C ATOM 1250 C ILE A 77 -14.093 11.057 -5.243 1.00 0.00 C ATOM 1251 O ILE A 77 -14.832 10.869 -4.275 1.00 0.00 O ATOM 1252 CB ILE A 77 -15.629 10.879 -7.217 1.00 0.00 C ATOM 1253 CG1 ILE A 77 -15.991 10.058 -8.459 1.00 0.00 C ATOM 1254 CG2 ILE A 77 -15.471 12.349 -7.590 1.00 0.00 C ATOM 1255 CD1 ILE A 77 -17.195 9.163 -8.262 1.00 0.00 C ATOM 0 H ILE A 77 -15.179 8.570 -5.806 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.499 10.530 -7.237 1.00 0.00 H new ATOM 0 HB ILE A 77 -16.436 10.790 -6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -16.185 10.737 -9.289 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -15.135 9.445 -8.742 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.393 12.710 -8.046 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.258 12.931 -6.693 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -14.649 12.459 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -17.393 8.612 -9.181 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.997 8.460 -7.453 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.063 9.772 -8.009 1.00 0.00 H new ATOM 1267 N GLY A 78 -13.049 11.880 -5.208 1.00 0.00 N ATOM 1268 CA GLY A 78 -12.719 12.622 -4.007 1.00 0.00 C ATOM 1269 C GLY A 78 -11.378 13.314 -4.130 1.00 0.00 C ATOM 1270 O GLY A 78 -10.798 13.353 -5.216 1.00 0.00 O ATOM 0 H GLY A 78 -12.423 12.046 -5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.495 13.363 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.703 11.945 -3.153 1.00 0.00 H new ATOM 1274 N ASP A 79 -10.880 13.861 -3.025 1.00 0.00 N ATOM 1275 CA ASP A 79 -9.587 14.541 -3.037 1.00 0.00 C ATOM 1276 C ASP A 79 -8.464 13.517 -2.964 1.00 0.00 C ATOM 1277 O ASP A 79 -8.227 12.918 -1.916 1.00 0.00 O ATOM 1278 CB ASP A 79 -9.472 15.525 -1.867 1.00 0.00 C ATOM 1279 CG ASP A 79 -10.541 16.598 -1.895 1.00 0.00 C ATOM 1280 OD1 ASP A 79 -10.738 17.215 -2.962 1.00 0.00 O ATOM 1281 OD2 ASP A 79 -11.186 16.817 -0.848 1.00 0.00 O ATOM 0 H ASP A 79 -11.346 13.848 -2.118 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.505 15.104 -3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.540 14.975 -0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.490 15.997 -1.890 1.00 0.00 H new ATOM 1286 N LEU A 80 -7.768 13.329 -4.078 1.00 0.00 N ATOM 1287 CA LEU A 80 -6.682 12.356 -4.143 1.00 0.00 C ATOM 1288 C LEU A 80 -5.341 12.974 -3.767 1.00 0.00 C ATOM 1289 O LEU A 80 -4.316 12.296 -3.779 1.00 0.00 O ATOM 1290 CB LEU A 80 -6.587 11.757 -5.547 1.00 0.00 C ATOM 1291 CG LEU A 80 -7.838 11.031 -6.045 1.00 0.00 C ATOM 1292 CD1 LEU A 80 -7.634 10.555 -7.474 1.00 0.00 C ATOM 1293 CD2 LEU A 80 -8.176 9.860 -5.134 1.00 0.00 C ATOM 0 H LEU A 80 -7.935 13.835 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.910 11.572 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.351 12.557 -6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.751 11.058 -5.568 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.675 11.729 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.531 10.040 -7.817 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.439 11.412 -8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.786 9.871 -7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.069 9.356 -5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.343 9.158 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.359 10.226 -4.124 1.00 0.00 H new ATOM 1305 N SER A 81 -5.344 14.265 -3.459 1.00 0.00 N ATOM 1306 CA SER A 81 -4.121 14.961 -3.076 1.00 0.00 C ATOM 1307 C SER A 81 -3.604 14.466 -1.725 1.00 0.00 C ATOM 1308 O SER A 81 -2.440 14.673 -1.377 1.00 0.00 O ATOM 1309 CB SER A 81 -4.368 16.470 -3.040 1.00 0.00 C ATOM 1310 OG SER A 81 -5.379 16.803 -2.104 1.00 0.00 O ATOM 0 H SER A 81 -6.179 14.851 -3.467 1.00 0.00 H new ATOM 0 HA SER A 81 -3.355 14.746 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.444 16.986 -2.780 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.658 16.817 -4.032 1.00 0.00 H new ATOM 0 HG SER A 81 -5.515 17.774 -2.101 1.00 0.00 H new ATOM 1316 N ASN A 82 -4.484 13.828 -0.966 1.00 0.00 N ATOM 1317 CA ASN A 82 -4.126 13.273 0.332 1.00 0.00 C ATOM 1318 C ASN A 82 -3.705 11.816 0.162 1.00 0.00 C ATOM 1319 O ASN A 82 -4.487 10.987 -0.311 1.00 0.00 O ATOM 1320 CB ASN A 82 -5.299 13.391 1.306 1.00 0.00 C ATOM 1321 CG ASN A 82 -4.975 12.891 2.705 1.00 0.00 C ATOM 1322 OD1 ASN A 82 -3.836 12.527 3.007 1.00 0.00 O ATOM 1323 ND2 ASN A 82 -5.978 12.870 3.573 1.00 0.00 N ATOM 0 H ASN A 82 -5.458 13.681 -1.230 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.290 13.836 0.747 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.610 14.434 1.364 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.145 12.827 0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.820 12.545 4.527 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.907 13.179 3.287 1.00 0.00 H new ATOM 1330 N ARG A 83 -2.469 11.515 0.552 1.00 0.00 N ATOM 1331 CA ARG A 83 -1.925 10.165 0.421 1.00 0.00 C ATOM 1332 C ARG A 83 -2.754 9.147 1.203 1.00 0.00 C ATOM 1333 O ARG A 83 -2.922 8.015 0.757 1.00 0.00 O ATOM 1334 CB ARG A 83 -0.461 10.118 0.867 1.00 0.00 C ATOM 1335 CG ARG A 83 0.499 10.799 -0.099 1.00 0.00 C ATOM 1336 CD ARG A 83 1.087 12.068 0.498 1.00 0.00 C ATOM 1337 NE ARG A 83 0.239 13.229 0.241 1.00 0.00 N ATOM 1338 CZ ARG A 83 0.347 14.384 0.893 1.00 0.00 C ATOM 1339 NH1 ARG A 83 1.262 14.532 1.842 1.00 0.00 N ATOM 1340 NH2 ARG A 83 -0.463 15.391 0.589 1.00 0.00 N ATOM 0 H ARG A 83 -1.823 12.189 0.963 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.974 9.897 -0.634 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.374 10.591 1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.161 9.077 0.989 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.304 10.111 -0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.025 11.040 -1.024 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.213 11.940 1.573 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.078 12.242 0.080 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.478 13.150 -0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.886 13.759 2.074 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.342 15.419 2.340 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.165 15.278 -0.142 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.383 16.278 1.087 1.00 0.00 H new ATOM 1354 N GLU A 84 -3.265 9.543 2.365 1.00 0.00 N ATOM 1355 CA GLU A 84 -4.083 8.645 3.176 1.00 0.00 C ATOM 1356 C GLU A 84 -5.341 8.185 2.448 1.00 0.00 C ATOM 1357 O GLU A 84 -5.662 7.004 2.487 1.00 0.00 O ATOM 1358 CB GLU A 84 -4.459 9.307 4.498 1.00 0.00 C ATOM 1359 CG GLU A 84 -3.297 9.389 5.469 1.00 0.00 C ATOM 1360 CD GLU A 84 -3.599 10.253 6.679 1.00 0.00 C ATOM 1361 OE1 GLU A 84 -4.582 11.024 6.628 1.00 0.00 O ATOM 1362 OE2 GLU A 84 -2.853 10.159 7.675 1.00 0.00 O ATOM 0 H GLU A 84 -3.129 10.472 2.764 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.477 7.760 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.833 10.312 4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.273 8.748 4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.037 8.384 5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.425 9.789 4.952 1.00 0.00 H new ATOM 1369 N LYS A 85 -6.050 9.089 1.771 1.00 0.00 N ATOM 1370 CA LYS A 85 -7.253 8.679 1.044 1.00 0.00 C ATOM 1371 C LYS A 85 -6.893 7.727 -0.088 1.00 0.00 C ATOM 1372 O LYS A 85 -7.599 6.748 -0.327 1.00 0.00 O ATOM 1373 CB LYS A 85 -8.041 9.873 0.504 1.00 0.00 C ATOM 1374 CG LYS A 85 -8.761 10.685 1.565 1.00 0.00 C ATOM 1375 CD LYS A 85 -9.514 11.846 0.936 1.00 0.00 C ATOM 1376 CE LYS A 85 -10.229 12.677 1.990 1.00 0.00 C ATOM 1377 NZ LYS A 85 -10.970 13.823 1.393 1.00 0.00 N ATOM 0 H LYS A 85 -5.822 10.081 1.710 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.897 8.162 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.358 10.529 -0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.773 9.512 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.457 10.046 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.041 11.063 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.818 12.477 0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.239 11.465 0.217 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -10.925 12.043 2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.502 13.052 2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.588 14.249 2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.293 14.535 1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.547 13.486 0.596 1.00 0.00 H new ATOM 1391 N VAL A 86 -5.798 8.019 -0.777 1.00 0.00 N ATOM 1392 CA VAL A 86 -5.333 7.163 -1.859 1.00 0.00 C ATOM 1393 C VAL A 86 -4.947 5.784 -1.318 1.00 0.00 C ATOM 1394 O VAL A 86 -5.318 4.759 -1.886 1.00 0.00 O ATOM 1395 CB VAL A 86 -4.145 7.808 -2.614 1.00 0.00 C ATOM 1396 CG1 VAL A 86 -3.530 6.833 -3.604 1.00 0.00 C ATOM 1397 CG2 VAL A 86 -4.613 9.066 -3.332 1.00 0.00 C ATOM 0 H VAL A 86 -5.217 8.840 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.150 7.042 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.378 8.073 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.698 7.314 -4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.167 5.954 -3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.282 6.531 -4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.773 9.516 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.396 8.808 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.005 9.776 -2.604 1.00 0.00 H new ATOM 1407 N LEU A 87 -4.232 5.769 -0.194 1.00 0.00 N ATOM 1408 CA LEU A 87 -3.795 4.521 0.438 1.00 0.00 C ATOM 1409 C LEU A 87 -4.967 3.737 1.022 1.00 0.00 C ATOM 1410 O LEU A 87 -5.086 2.536 0.786 1.00 0.00 O ATOM 1411 CB LEU A 87 -2.791 4.817 1.552 1.00 0.00 C ATOM 1412 CG LEU A 87 -1.401 4.218 1.372 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -0.462 4.765 2.438 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -1.464 2.694 1.433 1.00 0.00 C ATOM 0 H LEU A 87 -3.941 6.612 0.302 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.328 3.915 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.690 5.898 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.204 4.452 2.493 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.017 4.499 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.530 4.334 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.401 5.850 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.842 4.504 3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.463 2.283 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.860 2.385 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.114 2.325 0.640 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.827 4.415 1.769 1.00 0.00 N ATOM 1427 CA ILE A 88 -6.975 3.768 2.398 1.00 0.00 C ATOM 1428 C ILE A 88 -7.905 3.150 1.354 1.00 0.00 C ATOM 1429 O ILE A 88 -8.338 2.003 1.503 1.00 0.00 O ATOM 1430 CB ILE A 88 -7.738 4.761 3.302 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -6.879 5.082 4.530 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -9.095 4.202 3.718 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -7.349 6.284 5.316 1.00 0.00 C ATOM 0 H ILE A 88 -5.753 5.415 1.956 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.600 2.959 3.025 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.927 5.677 2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.867 4.213 5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.852 5.252 4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.607 4.925 4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -9.697 4.009 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -8.952 3.272 4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.688 6.443 6.168 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.334 7.166 4.676 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.365 6.111 5.672 1.00 0.00 H new ATOM 1445 N ALA A 89 -8.204 3.902 0.296 1.00 0.00 N ATOM 1446 CA ALA A 89 -9.065 3.399 -0.769 1.00 0.00 C ATOM 1447 C ALA A 89 -8.431 2.197 -1.470 1.00 0.00 C ATOM 1448 O ALA A 89 -9.116 1.221 -1.775 1.00 0.00 O ATOM 1449 CB ALA A 89 -9.387 4.501 -1.765 1.00 0.00 C ATOM 0 H ALA A 89 -7.865 4.854 0.155 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.999 3.065 -0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.030 4.105 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.899 5.316 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.463 4.874 -2.206 1.00 0.00 H new ATOM 1455 N LEU A 90 -7.121 2.268 -1.717 1.00 0.00 N ATOM 1456 CA LEU A 90 -6.406 1.172 -2.373 1.00 0.00 C ATOM 1457 C LEU A 90 -6.373 -0.079 -1.490 1.00 0.00 C ATOM 1458 O LEU A 90 -6.533 -1.195 -1.986 1.00 0.00 O ATOM 1459 CB LEU A 90 -4.977 1.591 -2.759 1.00 0.00 C ATOM 1460 CG LEU A 90 -4.877 2.599 -3.904 1.00 0.00 C ATOM 1461 CD1 LEU A 90 -3.443 3.079 -4.057 1.00 0.00 C ATOM 1462 CD2 LEU A 90 -5.379 1.986 -5.205 1.00 0.00 C ATOM 0 H LEU A 90 -6.537 3.068 -1.474 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.951 0.931 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.491 2.015 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.416 0.698 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.507 3.456 -3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.385 3.796 -4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.118 3.556 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.796 2.229 -4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.299 2.720 -6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.777 1.112 -5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.421 1.687 -5.088 1.00 0.00 H new ATOM 1474 N ARG A 91 -6.179 0.108 -0.182 1.00 0.00 N ATOM 1475 CA ARG A 91 -6.131 -1.015 0.756 1.00 0.00 C ATOM 1476 C ARG A 91 -7.479 -1.731 0.846 1.00 0.00 C ATOM 1477 O ARG A 91 -7.531 -2.960 0.905 1.00 0.00 O ATOM 1478 CB ARG A 91 -5.695 -0.546 2.143 1.00 0.00 C ATOM 1479 CG ARG A 91 -4.234 -0.140 2.210 1.00 0.00 C ATOM 1480 CD ARG A 91 -3.857 0.378 3.591 1.00 0.00 C ATOM 1481 NE ARG A 91 -3.997 -0.648 4.624 1.00 0.00 N ATOM 1482 CZ ARG A 91 -3.073 -1.572 4.884 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -1.938 -1.594 4.196 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -3.286 -2.473 5.835 1.00 0.00 N ATOM 0 H ARG A 91 -6.053 1.023 0.250 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.396 -1.723 0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -6.314 0.300 2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.876 -1.345 2.862 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.607 -0.995 1.958 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.036 0.631 1.465 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.828 0.736 3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.487 1.231 3.841 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.853 -0.657 5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.771 -0.902 3.466 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.233 -2.303 4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.157 -2.458 6.366 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.579 -3.181 6.035 1.00 0.00 H new ATOM 1498 N LEU A 92 -8.569 -0.962 0.870 1.00 0.00 N ATOM 1499 CA LEU A 92 -9.910 -1.545 0.934 1.00 0.00 C ATOM 1500 C LEU A 92 -10.222 -2.336 -0.332 1.00 0.00 C ATOM 1501 O LEU A 92 -10.875 -3.380 -0.275 1.00 0.00 O ATOM 1502 CB LEU A 92 -10.969 -0.461 1.166 1.00 0.00 C ATOM 1503 CG LEU A 92 -11.453 -0.315 2.614 1.00 0.00 C ATOM 1504 CD1 LEU A 92 -10.290 -0.392 3.593 1.00 0.00 C ATOM 1505 CD2 LEU A 92 -12.208 0.995 2.790 1.00 0.00 C ATOM 0 H LEU A 92 -8.551 0.058 0.846 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.934 -2.232 1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.563 0.496 0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.830 -0.676 0.533 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.129 -1.143 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.664 -0.285 4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.790 -1.355 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.582 0.409 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -12.545 1.085 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.549 1.830 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -13.071 1.010 2.124 1.00 0.00 H new ATOM 1517 N LEU A 93 -9.758 -1.833 -1.472 1.00 0.00 N ATOM 1518 CA LEU A 93 -9.965 -2.512 -2.745 1.00 0.00 C ATOM 1519 C LEU A 93 -9.243 -3.858 -2.746 1.00 0.00 C ATOM 1520 O LEU A 93 -9.756 -4.849 -3.266 1.00 0.00 O ATOM 1521 CB LEU A 93 -9.463 -1.658 -3.913 1.00 0.00 C ATOM 1522 CG LEU A 93 -10.286 -0.402 -4.209 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -9.576 0.468 -5.236 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -11.678 -0.777 -4.697 1.00 0.00 C ATOM 0 H LEU A 93 -9.237 -0.959 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.036 -2.674 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.436 -1.358 -3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.440 -2.277 -4.810 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.389 0.168 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.174 1.357 -5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.601 0.766 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.443 -0.095 -6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.248 0.129 -4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.597 -1.369 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -12.188 -1.360 -3.930 1.00 0.00 H new ATOM 1536 N ALA A 94 -8.051 -3.878 -2.149 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.234 -5.090 -2.083 1.00 0.00 C ATOM 1538 C ALA A 94 -7.924 -6.199 -1.312 1.00 0.00 C ATOM 1539 O ALA A 94 -7.821 -7.367 -1.682 1.00 0.00 O ATOM 1540 CB ALA A 94 -5.880 -4.804 -1.465 1.00 0.00 C ATOM 0 H ALA A 94 -7.628 -3.064 -1.702 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.093 -5.427 -3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.295 -5.723 -1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.355 -4.063 -2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -6.015 -4.420 -0.454 1.00 0.00 H new ATOM 1546 N GLU A 95 -8.611 -5.842 -0.231 1.00 0.00 N ATOM 1547 CA GLU A 95 -9.302 -6.830 0.580 1.00 0.00 C ATOM 1548 C GLU A 95 -10.375 -7.534 -0.249 1.00 0.00 C ATOM 1549 O GLU A 95 -10.586 -8.740 -0.119 1.00 0.00 O ATOM 1550 CB GLU A 95 -9.915 -6.161 1.812 1.00 0.00 C ATOM 1551 CG GLU A 95 -8.882 -5.710 2.836 1.00 0.00 C ATOM 1552 CD GLU A 95 -9.482 -4.863 3.944 1.00 0.00 C ATOM 1553 OE1 GLU A 95 -10.615 -4.369 3.768 1.00 0.00 O ATOM 1554 OE2 GLU A 95 -8.816 -4.696 4.986 1.00 0.00 O ATOM 0 H GLU A 95 -8.702 -4.881 0.099 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.586 -7.579 0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.500 -5.298 1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.606 -6.857 2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.404 -6.587 3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.102 -5.140 2.331 1.00 0.00 H new ATOM 1561 N GLU A 96 -11.047 -6.759 -1.096 1.00 0.00 N ATOM 1562 CA GLU A 96 -12.078 -7.291 -1.981 1.00 0.00 C ATOM 1563 C GLU A 96 -11.469 -8.271 -2.984 1.00 0.00 C ATOM 1564 O GLU A 96 -12.044 -9.319 -3.278 1.00 0.00 O ATOM 1565 CB GLU A 96 -12.757 -6.141 -2.731 1.00 0.00 C ATOM 1566 CG GLU A 96 -13.631 -5.264 -1.845 1.00 0.00 C ATOM 1567 CD GLU A 96 -14.128 -4.021 -2.557 1.00 0.00 C ATOM 1568 OE1 GLU A 96 -13.568 -3.681 -3.620 1.00 0.00 O ATOM 1569 OE2 GLU A 96 -15.079 -3.390 -2.052 1.00 0.00 O ATOM 0 H GLU A 96 -10.894 -5.755 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.817 -7.821 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.991 -5.522 -3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.368 -6.553 -3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.486 -5.844 -1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.065 -4.969 -0.961 1.00 0.00 H new ATOM 1576 N ILE A 97 -10.295 -7.909 -3.496 1.00 0.00 N ATOM 1577 CA ILE A 97 -9.572 -8.726 -4.469 1.00 0.00 C ATOM 1578 C ILE A 97 -9.043 -10.006 -3.818 1.00 0.00 C ATOM 1579 O ILE A 97 -9.138 -11.093 -4.388 1.00 0.00 O ATOM 1580 CB ILE A 97 -8.403 -7.921 -5.074 1.00 0.00 C ATOM 1581 CG1 ILE A 97 -8.958 -6.679 -5.761 1.00 0.00 C ATOM 1582 CG2 ILE A 97 -7.606 -8.768 -6.063 1.00 0.00 C ATOM 1583 CD1 ILE A 97 -7.903 -5.671 -6.120 1.00 0.00 C ATOM 0 H ILE A 97 -9.818 -7.042 -3.249 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.264 -9.004 -5.264 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.724 -7.625 -4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.485 -6.979 -6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.691 -6.208 -5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.789 -8.175 -6.474 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.200 -9.640 -5.551 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -8.260 -9.094 -6.872 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.369 -4.814 -6.605 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.391 -5.342 -5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.182 -6.125 -6.800 1.00 0.00 H new ATOM 1595 N GLY A 98 -8.491 -9.852 -2.614 1.00 0.00 N ATOM 1596 CA GLY A 98 -7.946 -10.975 -1.867 1.00 0.00 C ATOM 1597 C GLY A 98 -8.983 -12.030 -1.536 1.00 0.00 C ATOM 1598 O GLY A 98 -8.665 -13.214 -1.450 1.00 0.00 O ATOM 0 H GLY A 98 -8.412 -8.954 -2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.143 -11.432 -2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.503 -10.607 -0.942 1.00 0.00 H new ATOM 1602 N ASP A 99 -10.222 -11.586 -1.323 1.00 0.00 N ATOM 1603 CA ASP A 99 -11.331 -12.484 -0.992 1.00 0.00 C ATOM 1604 C ASP A 99 -11.560 -13.525 -2.089 1.00 0.00 C ATOM 1605 O ASP A 99 -11.869 -14.680 -1.800 1.00 0.00 O ATOM 1606 CB ASP A 99 -12.614 -11.680 -0.762 1.00 0.00 C ATOM 1607 CG ASP A 99 -13.768 -12.548 -0.301 1.00 0.00 C ATOM 1608 OD1 ASP A 99 -13.693 -13.087 0.822 1.00 0.00 O ATOM 1609 OD2 ASP A 99 -14.750 -12.681 -1.062 1.00 0.00 O ATOM 0 H ASP A 99 -10.485 -10.602 -1.374 1.00 0.00 H new ATOM 0 HA ASP A 99 -11.065 -13.012 -0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -12.426 -10.906 -0.018 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.892 -11.173 -1.686 1.00 0.00 H new ATOM 1614 N TYR A 100 -11.431 -13.106 -3.347 1.00 0.00 N ATOM 1615 CA TYR A 100 -11.622 -14.009 -4.471 1.00 0.00 C ATOM 1616 C TYR A 100 -10.473 -15.008 -4.550 1.00 0.00 C ATOM 1617 O TYR A 100 -9.306 -14.632 -4.669 1.00 0.00 O ATOM 1618 CB TYR A 100 -11.729 -13.218 -5.780 1.00 0.00 C ATOM 1619 CG TYR A 100 -11.882 -14.085 -7.013 1.00 0.00 C ATOM 1620 CD1 TYR A 100 -13.087 -14.715 -7.299 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -10.821 -14.269 -7.891 1.00 0.00 C ATOM 1622 CE1 TYR A 100 -13.228 -15.506 -8.424 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -10.955 -15.059 -9.018 1.00 0.00 C ATOM 1624 CZ TYR A 100 -12.161 -15.676 -9.278 1.00 0.00 C ATOM 1625 OH TYR A 100 -12.298 -16.462 -10.399 1.00 0.00 O ATOM 0 H TYR A 100 -11.196 -12.149 -3.609 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.551 -14.558 -4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.582 -12.542 -5.715 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -10.839 -12.599 -5.892 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -13.926 -14.585 -6.632 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -9.876 -13.787 -7.690 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.171 -15.989 -8.632 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -10.121 -15.192 -9.691 1.00 0.00 H new ATOM 0 HH TYR A 100 -11.452 -16.476 -10.894 1.00 0.00 H new ATOM 1635 N LYS A 101 -10.819 -16.284 -4.500 1.00 0.00 N ATOM 1636 CA LYS A 101 -9.825 -17.347 -4.560 1.00 0.00 C ATOM 1637 C LYS A 101 -9.932 -18.112 -5.874 1.00 0.00 C ATOM 1638 O LYS A 101 -11.030 -18.382 -6.357 1.00 0.00 O ATOM 1639 CB LYS A 101 -10.006 -18.318 -3.387 1.00 0.00 C ATOM 1640 CG LYS A 101 -9.948 -17.660 -2.014 1.00 0.00 C ATOM 1641 CD LYS A 101 -8.599 -17.006 -1.755 1.00 0.00 C ATOM 1642 CE LYS A 101 -8.539 -16.403 -0.361 1.00 0.00 C ATOM 1643 NZ LYS A 101 -7.243 -15.719 -0.107 1.00 0.00 N ATOM 0 H LYS A 101 -11.782 -16.611 -4.418 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.838 -16.888 -4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.965 -18.824 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.233 -19.085 -3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.736 -16.910 -1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.143 -18.407 -1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.806 -17.745 -1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.420 -16.229 -2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.355 -15.691 -0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.686 -17.188 0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.040 -15.728 0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.483 -16.215 -0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.298 -14.735 -0.440 1.00 0.00 H new ATOM 1657 N ASP A 102 -8.785 -18.455 -6.451 1.00 0.00 N ATOM 1658 CA ASP A 102 -8.756 -19.200 -7.708 1.00 0.00 C ATOM 1659 C ASP A 102 -8.431 -20.670 -7.458 1.00 0.00 C ATOM 1660 O ASP A 102 -9.146 -21.561 -7.912 1.00 0.00 O ATOM 1661 CB ASP A 102 -7.733 -18.592 -8.672 1.00 0.00 C ATOM 1662 CG ASP A 102 -7.675 -19.331 -9.995 1.00 0.00 C ATOM 1663 OD1 ASP A 102 -8.658 -19.257 -10.760 1.00 0.00 O ATOM 1664 OD2 ASP A 102 -6.643 -19.981 -10.264 1.00 0.00 O ATOM 0 H ASP A 102 -7.865 -18.231 -6.071 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.745 -19.135 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -7.985 -17.547 -8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.747 -18.606 -8.208 1.00 0.00 H new ATOM 1669 N ASP A 103 -7.345 -20.914 -6.732 1.00 0.00 N ATOM 1670 CA ASP A 103 -6.923 -22.274 -6.419 1.00 0.00 C ATOM 1671 C ASP A 103 -7.475 -22.709 -5.065 1.00 0.00 C ATOM 1672 O ASP A 103 -7.022 -22.236 -4.022 1.00 0.00 O ATOM 1673 CB ASP A 103 -5.393 -22.375 -6.413 1.00 0.00 C ATOM 1674 CG ASP A 103 -4.898 -23.793 -6.197 1.00 0.00 C ATOM 1675 OD1 ASP A 103 -5.703 -24.739 -6.347 1.00 0.00 O ATOM 1676 OD2 ASP A 103 -3.704 -23.959 -5.874 1.00 0.00 O ATOM 0 H ASP A 103 -6.741 -20.187 -6.349 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.318 -22.936 -7.190 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.005 -22.000 -7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -4.994 -21.732 -5.628 1.00 0.00 H new ATOM 1681 N ASP A 104 -8.460 -23.606 -5.090 1.00 0.00 N ATOM 1682 CA ASP A 104 -9.076 -24.111 -3.863 1.00 0.00 C ATOM 1683 C ASP A 104 -8.086 -24.948 -3.051 1.00 0.00 C ATOM 1684 O ASP A 104 -8.176 -25.005 -1.824 1.00 0.00 O ATOM 1685 CB ASP A 104 -10.313 -24.951 -4.192 1.00 0.00 C ATOM 1686 CG ASP A 104 -11.192 -25.194 -2.979 1.00 0.00 C ATOM 1687 OD1 ASP A 104 -11.241 -24.314 -2.095 1.00 0.00 O ATOM 1688 OD2 ASP A 104 -11.835 -26.262 -2.919 1.00 0.00 O ATOM 0 H ASP A 104 -8.849 -23.998 -5.947 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.374 -23.251 -3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -10.895 -24.447 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.998 -25.909 -4.606 1.00 0.00 H new ATOM 1693 N ASP A 105 -7.145 -25.592 -3.754 1.00 0.00 N ATOM 1694 CA ASP A 105 -6.123 -26.437 -3.127 1.00 0.00 C ATOM 1695 C ASP A 105 -6.748 -27.657 -2.444 1.00 0.00 C ATOM 1696 O ASP A 105 -7.931 -27.945 -2.628 1.00 0.00 O ATOM 1697 CB ASP A 105 -5.292 -25.625 -2.120 1.00 0.00 C ATOM 1698 CG ASP A 105 -3.816 -25.965 -2.165 1.00 0.00 C ATOM 1699 OD1 ASP A 105 -3.478 -27.070 -2.643 1.00 0.00 O ATOM 1700 OD2 ASP A 105 -3.001 -25.131 -1.723 1.00 0.00 O ATOM 0 H ASP A 105 -7.072 -25.542 -4.770 1.00 0.00 H new ATOM 0 HA ASP A 105 -5.462 -26.797 -3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -5.421 -24.562 -2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -5.671 -25.806 -1.114 1.00 0.00 H new ATOM 1705 N LYS A 106 -5.947 -28.382 -1.674 1.00 0.00 N ATOM 1706 CA LYS A 106 -6.429 -29.563 -0.968 1.00 0.00 C ATOM 1707 C LYS A 106 -6.264 -29.384 0.540 1.00 0.00 C ATOM 1708 O LYS A 106 -7.188 -29.766 1.287 1.00 0.00 O ATOM 1709 CB LYS A 106 -5.672 -30.810 -1.444 1.00 0.00 C ATOM 1710 CG LYS A 106 -6.157 -32.107 -0.810 1.00 0.00 C ATOM 1711 CD LYS A 106 -5.390 -33.308 -1.339 1.00 0.00 C ATOM 1712 CE LYS A 106 -5.873 -34.600 -0.703 1.00 0.00 C ATOM 1713 NZ LYS A 106 -5.137 -35.786 -1.222 1.00 0.00 N ATOM 1714 OXT LYS A 106 -5.209 -28.860 0.957 1.00 0.00 O ATOM 0 H LYS A 106 -4.960 -28.173 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.489 -29.693 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.767 -30.889 -2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -4.612 -30.685 -1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.042 -32.049 0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -7.220 -32.236 -1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.507 -33.368 -2.421 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.326 -33.178 -1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.748 -34.541 0.378 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.939 -34.722 -0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.497 -36.647 -0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -5.276 -35.858 -2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -4.123 -35.682 -1.016 1.00 0.00 H new TER 1728 LYS A 106