USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 SER OG : rot -72:sc= 0.971 USER MOD Set 1.2: A 53 THR OG1 : rot 25:sc= 1.2 USER MOD Set 2.1: A 17 THR OG1 : rot 127:sc= 1.33 USER MOD Set 2.2: A 25 HIS : no HD1:sc= 2.22 K(o=3.5,f=-9.3!) USER MOD Set 3.1: A 9 LYS NZ :NH3+ 170:sc= 1.33 (180deg=0.291) USER MOD Set 3.2: A 114 SER OG : rot -150:sc= 0.587 USER MOD Single : A 1 ARG N :NH3+ -164:sc= 0.2 (180deg=-0.0836) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -49:sc= 0.43 USER MOD Single : A 6 LYS NZ :NH3+ -153:sc= 0.334 (180deg=0.0879) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0731 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.345 X(o=-0.34,f=-0.074) USER MOD Single : A 21 GLN : amide:sc= -0.0485 X(o=-0.049,f=-0.026) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 85:sc= 1.04 USER MOD Single : A 55 GLN : amide:sc= 0.472 K(o=0.47,f=-0.21) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : +bothHN:sc= 2 K(o=2,f=-6.4!) USER MOD Single : A 60 THR OG1 : rot -146:sc= 1.04 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc=-0.00148 F(o=-0.76,f=-0.0015) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -48:sc= 1.52 USER MOD Single : A 74 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.018) USER MOD Single : A 77 HIS : no HE2:sc= 0.541 K(o=0.54,f=-2.3!) USER MOD Single : A 79 LYS NZ :NH3+ -147:sc= 0.235 (180deg=-0.464) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.156 K(o=0.16,f=-3.1) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00827) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 108:sc= 0.73 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -2.81! X(o=-2.8!,f=-2.8) USER MOD Single : A 107 THR OG1 : rot -122:sc= 0.869 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 17.485 -6.010 18.509 1.00 0.00 N ATOM 2 CA ARG A 1 18.185 -5.791 17.212 1.00 0.00 C ATOM 3 C ARG A 1 17.938 -6.992 16.282 1.00 0.00 C ATOM 4 O ARG A 1 18.771 -7.900 16.236 1.00 0.00 O ATOM 5 CB ARG A 1 19.692 -5.495 17.420 1.00 0.00 C ATOM 6 CG ARG A 1 19.965 -4.326 18.387 1.00 0.00 C ATOM 7 CD ARG A 1 21.464 -4.028 18.507 1.00 0.00 C ATOM 8 NE ARG A 1 21.739 -3.145 19.655 1.00 0.00 N ATOM 9 CZ ARG A 1 22.913 -2.880 20.197 1.00 0.00 C ATOM 10 NH1 ARG A 1 24.026 -3.327 19.690 1.00 0.00 N ATOM 11 NH2 ARG A 1 22.991 -2.155 21.275 1.00 0.00 N ATOM 0 H1 ARG A 1 17.420 -5.109 19.025 1.00 0.00 H new ATOM 0 H2 ARG A 1 16.528 -6.376 18.330 1.00 0.00 H new ATOM 0 H3 ARG A 1 18.018 -6.698 19.079 1.00 0.00 H new ATOM 0 HA ARG A 1 17.773 -4.904 16.730 1.00 0.00 H new ATOM 0 HB2 ARG A 1 20.180 -6.392 17.801 1.00 0.00 H new ATOM 0 HB3 ARG A 1 20.146 -5.270 16.455 1.00 0.00 H new ATOM 0 HG2 ARG A 1 19.444 -3.435 18.037 1.00 0.00 H new ATOM 0 HG3 ARG A 1 19.562 -4.566 19.371 1.00 0.00 H new ATOM 0 HD2 ARG A 1 22.015 -4.961 18.622 1.00 0.00 H new ATOM 0 HD3 ARG A 1 21.819 -3.558 17.590 1.00 0.00 H new ATOM 0 HE ARG A 1 20.931 -2.687 20.078 1.00 0.00 H new ATOM 0 HH11 ARG A 1 24.008 -3.902 18.847 1.00 0.00 H new ATOM 0 HH12 ARG A 1 24.916 -3.102 20.135 1.00 0.00 H new ATOM 0 HH21 ARG A 1 22.142 -1.788 21.706 1.00 0.00 H new ATOM 0 HH22 ARG A 1 23.901 -1.954 21.689 1.00 0.00 H new ATOM 27 N PRO A 2 16.775 -7.072 15.594 1.00 0.00 N ATOM 28 CA PRO A 2 16.360 -8.310 14.918 1.00 0.00 C ATOM 29 C PRO A 2 17.152 -8.589 13.631 1.00 0.00 C ATOM 30 O PRO A 2 17.613 -9.710 13.406 1.00 0.00 O ATOM 31 CB PRO A 2 14.862 -8.134 14.642 1.00 0.00 C ATOM 32 CG PRO A 2 14.675 -6.621 14.532 1.00 0.00 C ATOM 33 CD PRO A 2 15.709 -6.068 15.517 1.00 0.00 C ATOM 0 HA PRO A 2 16.561 -9.180 15.544 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.564 -8.640 13.723 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.257 -8.552 15.446 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.855 -6.266 13.517 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.662 -6.320 14.800 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.100 -5.110 15.175 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.262 -5.898 16.497 1.00 0.00 H new ATOM 41 N CYS A 3 17.302 -7.564 12.789 1.00 0.00 N ATOM 42 CA CYS A 3 17.963 -7.589 11.479 1.00 0.00 C ATOM 43 C CYS A 3 18.684 -6.247 11.237 1.00 0.00 C ATOM 44 O CYS A 3 18.515 -5.299 12.011 1.00 0.00 O ATOM 45 CB CYS A 3 16.937 -7.903 10.363 1.00 0.00 C ATOM 46 SG CYS A 3 15.353 -8.624 10.900 1.00 0.00 S ATOM 0 H CYS A 3 16.944 -6.636 13.016 1.00 0.00 H new ATOM 0 HA CYS A 3 18.711 -8.382 11.462 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.727 -6.980 9.823 1.00 0.00 H new ATOM 0 HB3 CYS A 3 17.402 -8.588 9.654 1.00 0.00 H new ATOM 51 N LYS A 4 19.479 -6.147 10.166 1.00 0.00 N ATOM 52 CA LYS A 4 20.239 -4.936 9.806 1.00 0.00 C ATOM 53 C LYS A 4 19.541 -4.190 8.668 1.00 0.00 C ATOM 54 O LYS A 4 19.229 -4.792 7.640 1.00 0.00 O ATOM 55 CB LYS A 4 21.676 -5.317 9.406 1.00 0.00 C ATOM 56 CG LYS A 4 22.443 -6.172 10.435 1.00 0.00 C ATOM 57 CD LYS A 4 22.559 -5.573 11.847 1.00 0.00 C ATOM 58 CE LYS A 4 23.377 -4.274 11.864 1.00 0.00 C ATOM 59 NZ LYS A 4 23.521 -3.741 13.245 1.00 0.00 N ATOM 0 H LYS A 4 19.617 -6.917 9.511 1.00 0.00 H new ATOM 0 HA LYS A 4 20.283 -4.274 10.671 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.641 -5.860 8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.240 -4.402 9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.952 -7.142 10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.448 -6.352 10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.561 -5.376 12.239 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.024 -6.301 12.511 1.00 0.00 H new ATOM 0 HE2 LYS A 4 24.364 -4.458 11.439 1.00 0.00 H new ATOM 0 HE3 LYS A 4 22.892 -3.529 11.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 24.078 -2.863 13.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.580 -3.543 13.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 24.006 -4.443 13.839 1.00 0.00 H new ATOM 73 N TYR A 5 19.328 -2.885 8.834 1.00 0.00 N ATOM 74 CA TYR A 5 18.664 -2.010 7.859 1.00 0.00 C ATOM 75 C TYR A 5 19.443 -0.698 7.641 1.00 0.00 C ATOM 76 O TYR A 5 20.190 -0.264 8.523 1.00 0.00 O ATOM 77 CB TYR A 5 17.235 -1.702 8.330 1.00 0.00 C ATOM 78 CG TYR A 5 16.334 -2.899 8.600 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.310 -3.493 9.878 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.477 -3.386 7.592 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.413 -4.545 10.158 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.561 -4.413 7.878 1.00 0.00 C ATOM 83 CZ TYR A 5 14.531 -5.003 9.157 1.00 0.00 C ATOM 84 OH TYR A 5 13.669 -6.026 9.400 1.00 0.00 O ATOM 0 H TYR A 5 19.621 -2.389 9.676 1.00 0.00 H new ATOM 0 HA TYR A 5 18.633 -2.535 6.904 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.297 -1.110 9.243 1.00 0.00 H new ATOM 0 HB3 TYR A 5 16.755 -1.077 7.577 1.00 0.00 H new ATOM 0 HD1 TYR A 5 16.982 -3.141 10.647 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.524 -2.969 6.597 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.402 -4.999 11.138 1.00 0.00 H new ATOM 0 HE2 TYR A 5 13.877 -4.751 7.114 1.00 0.00 H new ATOM 0 HH TYR A 5 14.154 -6.771 9.812 1.00 0.00 H new ATOM 94 N LYS A 6 19.252 -0.051 6.482 1.00 0.00 N ATOM 95 CA LYS A 6 19.834 1.261 6.137 1.00 0.00 C ATOM 96 C LYS A 6 18.834 2.414 6.322 1.00 0.00 C ATOM 97 O LYS A 6 17.621 2.230 6.198 1.00 0.00 O ATOM 98 CB LYS A 6 20.457 1.235 4.723 1.00 0.00 C ATOM 99 CG LYS A 6 19.474 1.004 3.553 1.00 0.00 C ATOM 100 CD LYS A 6 19.594 -0.368 2.868 1.00 0.00 C ATOM 101 CE LYS A 6 20.887 -0.551 2.065 1.00 0.00 C ATOM 102 NZ LYS A 6 20.832 -1.804 1.264 1.00 0.00 N ATOM 0 H LYS A 6 18.672 -0.434 5.735 1.00 0.00 H new ATOM 0 HA LYS A 6 20.641 1.457 6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 6 20.972 2.181 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 6 21.214 0.451 4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.456 1.121 3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.632 1.782 2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.536 -1.148 3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.742 -0.507 2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.035 0.303 1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.741 -0.583 2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.797 -2.157 1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.282 -2.521 1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.378 -1.611 0.348 1.00 0.00 H new ATOM 116 N LEU A 7 19.357 3.609 6.605 1.00 0.00 N ATOM 117 CA LEU A 7 18.599 4.850 6.808 1.00 0.00 C ATOM 118 C LEU A 7 18.075 5.422 5.482 1.00 0.00 C ATOM 119 O LEU A 7 18.853 5.752 4.581 1.00 0.00 O ATOM 120 CB LEU A 7 19.480 5.882 7.553 1.00 0.00 C ATOM 121 CG LEU A 7 19.198 6.047 9.058 1.00 0.00 C ATOM 122 CD1 LEU A 7 17.806 6.629 9.322 1.00 0.00 C ATOM 123 CD2 LEU A 7 19.355 4.741 9.836 1.00 0.00 C ATOM 0 H LEU A 7 20.363 3.746 6.704 1.00 0.00 H new ATOM 0 HA LEU A 7 17.725 4.622 7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.524 5.596 7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 7 19.355 6.852 7.071 1.00 0.00 H new ATOM 0 HG LEU A 7 19.951 6.750 9.415 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.651 6.728 10.396 1.00 0.00 H new ATOM 0 HD12 LEU A 7 17.726 7.609 8.852 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.049 5.965 8.906 1.00 0.00 H new ATOM 0 HD21 LEU A 7 19.144 4.918 10.891 1.00 0.00 H new ATOM 0 HD22 LEU A 7 18.658 3.999 9.446 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.375 4.373 9.727 1.00 0.00 H new ATOM 135 N LYS A 8 16.749 5.564 5.388 1.00 0.00 N ATOM 136 CA LYS A 8 16.027 6.196 4.277 1.00 0.00 C ATOM 137 C LYS A 8 14.831 6.999 4.810 1.00 0.00 C ATOM 138 O LYS A 8 13.921 6.443 5.428 1.00 0.00 O ATOM 139 CB LYS A 8 15.633 5.097 3.271 1.00 0.00 C ATOM 140 CG LYS A 8 14.930 5.612 2.004 1.00 0.00 C ATOM 141 CD LYS A 8 15.856 6.435 1.097 1.00 0.00 C ATOM 142 CE LYS A 8 15.123 6.798 -0.200 1.00 0.00 C ATOM 143 NZ LYS A 8 15.992 7.574 -1.123 1.00 0.00 N ATOM 0 H LYS A 8 16.120 5.226 6.117 1.00 0.00 H new ATOM 0 HA LYS A 8 16.656 6.916 3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.531 4.553 2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.977 4.384 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.539 4.764 1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.075 6.224 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.173 7.342 1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.757 5.866 0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.787 5.887 -0.696 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.232 7.379 0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.463 7.802 -1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.292 8.455 -0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.830 7.009 -1.368 1.00 0.00 H new ATOM 157 N LYS A 9 14.857 8.320 4.619 1.00 0.00 N ATOM 158 CA LYS A 9 13.796 9.275 5.010 1.00 0.00 C ATOM 159 C LYS A 9 13.479 10.244 3.864 1.00 0.00 C ATOM 160 O LYS A 9 14.367 10.596 3.083 1.00 0.00 O ATOM 161 CB LYS A 9 14.214 10.047 6.283 1.00 0.00 C ATOM 162 CG LYS A 9 14.571 9.165 7.496 1.00 0.00 C ATOM 163 CD LYS A 9 13.364 8.420 8.087 1.00 0.00 C ATOM 164 CE LYS A 9 13.818 7.195 8.897 1.00 0.00 C ATOM 165 NZ LYS A 9 13.232 5.935 8.370 1.00 0.00 N ATOM 0 H LYS A 9 15.648 8.781 4.169 1.00 0.00 H new ATOM 0 HA LYS A 9 12.889 8.711 5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.073 10.673 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.401 10.716 6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.326 8.438 7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.018 9.789 8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.794 9.093 8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.698 8.104 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.906 7.127 8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.529 7.322 9.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.689 5.121 8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.211 5.917 8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.385 5.884 7.343 1.00 0.00 H new ATOM 179 N SER A 10 12.221 10.672 3.762 1.00 0.00 N ATOM 180 CA SER A 10 11.714 11.605 2.741 1.00 0.00 C ATOM 181 C SER A 10 10.471 12.363 3.236 1.00 0.00 C ATOM 182 O SER A 10 9.948 12.082 4.316 1.00 0.00 O ATOM 183 CB SER A 10 11.406 10.818 1.456 1.00 0.00 C ATOM 184 OG SER A 10 11.111 11.691 0.378 1.00 0.00 O ATOM 0 H SER A 10 11.494 10.370 4.411 1.00 0.00 H new ATOM 0 HA SER A 10 12.478 12.355 2.535 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.259 10.191 1.197 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.561 10.151 1.629 1.00 0.00 H new ATOM 0 HG SER A 10 10.921 11.165 -0.427 1.00 0.00 H new ATOM 190 N THR A 11 9.965 13.314 2.445 1.00 0.00 N ATOM 191 CA THR A 11 8.693 14.008 2.688 1.00 0.00 C ATOM 192 C THR A 11 7.930 14.195 1.374 1.00 0.00 C ATOM 193 O THR A 11 8.275 15.068 0.578 1.00 0.00 O ATOM 194 CB THR A 11 8.876 15.364 3.392 1.00 0.00 C ATOM 195 OG1 THR A 11 9.779 15.303 4.479 1.00 0.00 O ATOM 196 CG2 THR A 11 7.533 15.802 3.972 1.00 0.00 C ATOM 0 H THR A 11 10.438 13.631 1.599 1.00 0.00 H new ATOM 0 HA THR A 11 8.114 13.376 3.362 1.00 0.00 H new ATOM 0 HB THR A 11 9.266 16.054 2.644 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.859 16.190 4.888 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.649 16.762 4.474 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.804 15.899 3.168 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.186 15.058 4.689 1.00 0.00 H new ATOM 204 N ASN A 12 6.922 13.353 1.114 1.00 0.00 N ATOM 205 CA ASN A 12 6.093 13.391 -0.104 1.00 0.00 C ATOM 206 C ASN A 12 4.756 12.625 0.035 1.00 0.00 C ATOM 207 O ASN A 12 4.438 12.098 1.099 1.00 0.00 O ATOM 208 CB ASN A 12 6.909 12.949 -1.345 1.00 0.00 C ATOM 209 CG ASN A 12 7.167 11.469 -1.521 1.00 0.00 C ATOM 210 OD1 ASN A 12 6.870 10.910 -2.559 1.00 0.00 O ATOM 211 ND2 ASN A 12 7.781 10.800 -0.577 1.00 0.00 N ATOM 0 H ASN A 12 6.652 12.609 1.757 1.00 0.00 H new ATOM 0 HA ASN A 12 5.803 14.431 -0.253 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.390 13.308 -2.234 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.873 13.457 -1.312 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.008 9.815 -0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.033 11.264 0.296 1.00 0.00 H new ATOM 218 N LYS A 13 3.955 12.632 -1.037 1.00 0.00 N ATOM 219 CA LYS A 13 2.684 11.901 -1.238 1.00 0.00 C ATOM 220 C LYS A 13 2.862 10.378 -1.391 1.00 0.00 C ATOM 221 O LYS A 13 3.978 9.878 -1.545 1.00 0.00 O ATOM 222 CB LYS A 13 1.948 12.519 -2.445 1.00 0.00 C ATOM 223 CG LYS A 13 2.750 12.680 -3.748 1.00 0.00 C ATOM 224 CD LYS A 13 2.585 14.073 -4.378 1.00 0.00 C ATOM 225 CE LYS A 13 3.621 15.073 -3.843 1.00 0.00 C ATOM 226 NZ LYS A 13 3.520 16.391 -4.527 1.00 0.00 N ATOM 0 H LYS A 13 4.192 13.192 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 13 2.083 12.014 -0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.074 11.904 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.581 13.502 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.806 12.500 -3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.430 11.922 -4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.682 13.995 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.582 14.447 -4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.477 15.208 -2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.623 14.667 -3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.235 17.039 -4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.683 16.266 -5.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.572 16.790 -4.374 1.00 0.00 H new ATOM 240 N PHE A 14 1.757 9.633 -1.390 1.00 0.00 N ATOM 241 CA PHE A 14 1.703 8.163 -1.446 1.00 0.00 C ATOM 242 C PHE A 14 0.531 7.662 -2.305 1.00 0.00 C ATOM 243 O PHE A 14 -0.561 8.235 -2.300 1.00 0.00 O ATOM 244 CB PHE A 14 1.645 7.584 -0.019 1.00 0.00 C ATOM 245 CG PHE A 14 0.615 8.213 0.909 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.747 7.865 0.815 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.022 9.160 1.868 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.701 8.501 1.633 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.069 9.775 2.700 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.295 9.478 2.557 1.00 0.00 C ATOM 0 H PHE A 14 0.828 10.053 -1.348 1.00 0.00 H new ATOM 0 HA PHE A 14 2.614 7.809 -1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.439 6.516 -0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.630 7.690 0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.061 7.107 0.113 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.067 9.415 1.965 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.745 8.237 1.550 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.389 10.480 3.453 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.029 9.998 3.154 1.00 0.00 H new ATOM 260 N CYS A 15 0.758 6.593 -3.073 1.00 0.00 N ATOM 261 CA CYS A 15 -0.275 5.925 -3.870 1.00 0.00 C ATOM 262 C CYS A 15 -0.762 4.634 -3.197 1.00 0.00 C ATOM 263 O CYS A 15 0.012 3.863 -2.622 1.00 0.00 O ATOM 264 CB CYS A 15 0.222 5.641 -5.293 1.00 0.00 C ATOM 265 SG CYS A 15 -1.113 5.129 -6.416 1.00 0.00 S ATOM 0 H CYS A 15 1.678 6.161 -3.160 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.124 6.606 -3.935 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.702 6.535 -5.691 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.981 4.860 -5.259 1.00 0.00 H new ATOM 270 N VAL A 16 -2.063 4.384 -3.322 1.00 0.00 N ATOM 271 CA VAL A 16 -2.812 3.272 -2.693 1.00 0.00 C ATOM 272 C VAL A 16 -3.966 2.795 -3.596 1.00 0.00 C ATOM 273 O VAL A 16 -4.158 3.345 -4.680 1.00 0.00 O ATOM 274 CB VAL A 16 -3.348 3.689 -1.304 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.254 3.836 -0.244 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.128 5.002 -1.343 1.00 0.00 C ATOM 0 H VAL A 16 -2.665 4.977 -3.893 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.121 2.439 -2.561 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.008 2.867 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.703 4.130 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.737 2.885 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.542 4.598 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.480 5.246 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.479 5.800 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.982 4.898 -2.013 1.00 0.00 H new ATOM 286 N THR A 17 -4.766 1.808 -3.167 1.00 0.00 N ATOM 287 CA THR A 17 -5.970 1.348 -3.899 1.00 0.00 C ATOM 288 C THR A 17 -7.218 1.381 -3.007 1.00 0.00 C ATOM 289 O THR A 17 -7.257 0.680 -1.994 1.00 0.00 O ATOM 290 CB THR A 17 -5.772 -0.077 -4.444 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.450 -0.298 -4.901 1.00 0.00 O ATOM 292 CG2 THR A 17 -6.693 -0.413 -5.599 1.00 0.00 C ATOM 0 H THR A 17 -4.601 1.299 -2.298 1.00 0.00 H new ATOM 0 HA THR A 17 -6.117 2.035 -4.732 1.00 0.00 H new ATOM 0 HB THR A 17 -6.002 -0.717 -3.592 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.086 -1.102 -4.474 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.500 -1.432 -5.934 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.730 -0.328 -5.274 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.513 0.279 -6.421 1.00 0.00 H new ATOM 300 N CYS A 18 -8.234 2.187 -3.352 1.00 0.00 N ATOM 301 CA CYS A 18 -9.523 2.221 -2.651 1.00 0.00 C ATOM 302 C CYS A 18 -10.481 1.163 -3.194 1.00 0.00 C ATOM 303 O CYS A 18 -10.704 1.059 -4.399 1.00 0.00 O ATOM 304 CB CYS A 18 -10.186 3.604 -2.716 1.00 0.00 C ATOM 305 SG CYS A 18 -9.843 4.660 -1.293 1.00 0.00 S ATOM 0 H CYS A 18 -8.181 2.840 -4.134 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.307 2.000 -1.606 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.851 4.112 -3.620 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.264 3.473 -2.805 1.00 0.00 H new ATOM 310 N GLU A 19 -11.086 0.409 -2.284 1.00 0.00 N ATOM 311 CA GLU A 19 -12.048 -0.648 -2.575 1.00 0.00 C ATOM 312 C GLU A 19 -13.166 -0.592 -1.528 1.00 0.00 C ATOM 313 O GLU A 19 -12.933 -0.837 -0.345 1.00 0.00 O ATOM 314 CB GLU A 19 -11.316 -2.000 -2.604 1.00 0.00 C ATOM 315 CG GLU A 19 -12.168 -3.093 -3.256 1.00 0.00 C ATOM 316 CD GLU A 19 -11.450 -4.458 -3.251 1.00 0.00 C ATOM 317 OE1 GLU A 19 -10.251 -4.524 -3.622 1.00 0.00 O ATOM 318 OE2 GLU A 19 -12.097 -5.474 -2.900 1.00 0.00 O ATOM 0 H GLU A 19 -10.914 0.521 -1.285 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.508 -0.514 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.379 -1.895 -3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.060 -2.297 -1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.116 -3.179 -2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.401 -2.809 -4.282 1.00 0.00 H new ATOM 325 N ASN A 20 -14.373 -0.210 -1.958 1.00 0.00 N ATOM 326 CA ASN A 20 -15.517 0.128 -1.097 1.00 0.00 C ATOM 327 C ASN A 20 -15.212 1.314 -0.145 1.00 0.00 C ATOM 328 O ASN A 20 -15.369 1.230 1.074 1.00 0.00 O ATOM 329 CB ASN A 20 -16.080 -1.134 -0.405 1.00 0.00 C ATOM 330 CG ASN A 20 -16.749 -2.112 -1.357 1.00 0.00 C ATOM 331 OD1 ASN A 20 -17.963 -2.260 -1.373 1.00 0.00 O ATOM 332 ND2 ASN A 20 -15.999 -2.810 -2.183 1.00 0.00 N ATOM 0 H ASN A 20 -14.591 -0.124 -2.951 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.324 0.501 -1.727 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.269 -1.645 0.114 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.801 -0.829 0.353 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.431 -3.469 -2.831 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.986 -2.692 -2.175 1.00 0.00 H new ATOM 339 N GLN A 21 -14.822 2.452 -0.739 1.00 0.00 N ATOM 340 CA GLN A 21 -14.675 3.788 -0.125 1.00 0.00 C ATOM 341 C GLN A 21 -13.587 3.892 0.962 1.00 0.00 C ATOM 342 O GLN A 21 -13.654 4.750 1.847 1.00 0.00 O ATOM 343 CB GLN A 21 -16.035 4.324 0.373 1.00 0.00 C ATOM 344 CG GLN A 21 -17.155 4.294 -0.676 1.00 0.00 C ATOM 345 CD GLN A 21 -18.103 3.115 -0.499 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.722 2.907 0.536 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.286 2.314 -1.519 1.00 0.00 N ATOM 0 H GLN A 21 -14.583 2.468 -1.731 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.315 4.431 -0.928 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.348 3.737 1.237 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.903 5.350 0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.724 5.222 -0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.712 4.251 -1.671 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.778 2.473 -2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.936 1.532 -1.443 1.00 0.00 H new ATOM 356 N ALA A 22 -12.583 3.015 0.913 1.00 0.00 N ATOM 357 CA ALA A 22 -11.526 2.899 1.901 1.00 0.00 C ATOM 358 C ALA A 22 -10.298 2.216 1.262 1.00 0.00 C ATOM 359 O ALA A 22 -10.452 1.223 0.543 1.00 0.00 O ATOM 360 CB ALA A 22 -12.079 2.099 3.086 1.00 0.00 C ATOM 0 H ALA A 22 -12.486 2.343 0.152 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.202 3.877 2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.306 1.995 3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.937 2.622 3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.388 1.111 2.745 1.00 0.00 H new ATOM 366 N PRO A 23 -9.086 2.756 1.456 1.00 0.00 N ATOM 367 CA PRO A 23 -7.855 2.209 0.901 1.00 0.00 C ATOM 368 C PRO A 23 -7.369 0.970 1.662 1.00 0.00 C ATOM 369 O PRO A 23 -6.842 1.055 2.769 1.00 0.00 O ATOM 370 CB PRO A 23 -6.878 3.378 0.895 1.00 0.00 C ATOM 371 CG PRO A 23 -7.314 4.199 2.102 1.00 0.00 C ATOM 372 CD PRO A 23 -8.827 4.036 2.092 1.00 0.00 C ATOM 0 HA PRO A 23 -7.986 1.822 -0.109 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.846 3.041 0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.943 3.953 -0.029 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.873 3.825 3.026 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.019 5.244 2.008 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.229 4.057 3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.304 4.848 1.543 1.00 0.00 H new ATOM 380 N VAL A 24 -7.547 -0.204 1.054 1.00 0.00 N ATOM 381 CA VAL A 24 -7.169 -1.517 1.596 1.00 0.00 C ATOM 382 C VAL A 24 -5.871 -2.046 0.974 1.00 0.00 C ATOM 383 O VAL A 24 -5.619 -3.240 1.055 1.00 0.00 O ATOM 384 CB VAL A 24 -8.323 -2.544 1.468 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.654 -2.000 2.000 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.590 -3.012 0.034 1.00 0.00 C ATOM 0 H VAL A 24 -7.976 -0.272 0.131 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.976 -1.375 2.659 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.971 -3.385 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.428 -2.759 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.547 -1.745 3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.934 -1.109 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.411 -3.728 0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.855 -2.155 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.694 -3.486 -0.367 1.00 0.00 H new ATOM 396 N HIS A 25 -5.061 -1.218 0.293 1.00 0.00 N ATOM 397 CA HIS A 25 -3.850 -1.675 -0.416 1.00 0.00 C ATOM 398 C HIS A 25 -2.826 -0.558 -0.618 1.00 0.00 C ATOM 399 O HIS A 25 -3.213 0.578 -0.880 1.00 0.00 O ATOM 400 CB HIS A 25 -4.284 -2.166 -1.801 1.00 0.00 C ATOM 401 CG HIS A 25 -3.200 -2.813 -2.624 1.00 0.00 C ATOM 402 ND1 HIS A 25 -2.844 -2.434 -3.905 1.00 0.00 N ATOM 403 CD2 HIS A 25 -2.374 -3.828 -2.229 1.00 0.00 C ATOM 404 CE1 HIS A 25 -1.801 -3.202 -4.281 1.00 0.00 C ATOM 405 NE2 HIS A 25 -1.499 -4.050 -3.277 1.00 0.00 N ATOM 0 H HIS A 25 -5.225 -0.214 0.218 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.381 -2.454 0.185 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.098 -2.880 -1.676 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.685 -1.320 -2.359 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -2.400 -4.353 -1.285 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.291 -3.147 -5.231 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.749 -4.741 -3.288 1.00 0.00 H new ATOM 414 N PHE A 26 -1.534 -0.888 -0.587 1.00 0.00 N ATOM 415 CA PHE A 26 -0.430 0.039 -0.864 1.00 0.00 C ATOM 416 C PHE A 26 0.119 -0.152 -2.288 1.00 0.00 C ATOM 417 O PHE A 26 0.326 -1.287 -2.722 1.00 0.00 O ATOM 418 CB PHE A 26 0.669 -0.174 0.193 1.00 0.00 C ATOM 419 CG PHE A 26 1.870 0.741 0.061 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.694 2.136 -0.044 1.00 0.00 C ATOM 421 CD2 PHE A 26 3.172 0.200 0.047 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.806 2.977 -0.205 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.284 1.043 -0.118 1.00 0.00 C ATOM 424 CZ PHE A 26 4.099 2.429 -0.254 1.00 0.00 C ATOM 0 H PHE A 26 -1.216 -1.831 -0.363 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.795 1.064 -0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.233 -0.036 1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.011 -1.208 0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.701 2.558 -0.000 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.315 -0.864 0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.668 4.045 -0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.280 0.626 -0.140 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.953 3.075 -0.397 1.00 0.00 H new ATOM 434 N VAL A 27 0.364 0.950 -3.009 1.00 0.00 N ATOM 435 CA VAL A 27 0.908 0.935 -4.384 1.00 0.00 C ATOM 436 C VAL A 27 2.347 1.464 -4.439 1.00 0.00 C ATOM 437 O VAL A 27 3.218 0.784 -4.984 1.00 0.00 O ATOM 438 CB VAL A 27 -0.001 1.710 -5.360 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.562 1.739 -6.786 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.405 1.107 -5.446 1.00 0.00 C ATOM 0 H VAL A 27 0.190 1.891 -2.655 1.00 0.00 H new ATOM 0 HA VAL A 27 0.931 -0.107 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.046 2.720 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.115 2.296 -7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.539 2.222 -6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.663 0.719 -7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.008 1.687 -6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.338 0.076 -5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.871 1.128 -4.461 1.00 0.00 H new ATOM 450 N GLY A 28 2.617 2.666 -3.916 1.00 0.00 N ATOM 451 CA GLY A 28 3.934 3.302 -4.033 1.00 0.00 C ATOM 452 C GLY A 28 4.039 4.669 -3.357 1.00 0.00 C ATOM 453 O GLY A 28 3.118 5.124 -2.681 1.00 0.00 O ATOM 0 H GLY A 28 1.933 3.222 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.684 2.639 -3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.177 3.413 -5.090 1.00 0.00 H new ATOM 457 N VAL A 29 5.180 5.333 -3.541 1.00 0.00 N ATOM 458 CA VAL A 29 5.529 6.625 -2.919 1.00 0.00 C ATOM 459 C VAL A 29 5.865 7.644 -4.011 1.00 0.00 C ATOM 460 O VAL A 29 6.657 7.345 -4.908 1.00 0.00 O ATOM 461 CB VAL A 29 6.701 6.479 -1.927 1.00 0.00 C ATOM 462 CG1 VAL A 29 6.758 7.698 -1.018 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.578 5.256 -1.013 1.00 0.00 C ATOM 0 H VAL A 29 5.919 4.979 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 29 4.669 6.978 -2.350 1.00 0.00 H new ATOM 0 HB VAL A 29 7.595 6.371 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.587 7.592 -0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.904 8.595 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.824 7.782 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.436 5.216 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.662 5.330 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.549 4.350 -1.619 1.00 0.00 H new ATOM 473 N GLY A 30 5.228 8.821 -3.987 1.00 0.00 N ATOM 474 CA GLY A 30 5.386 9.866 -5.011 1.00 0.00 C ATOM 475 C GLY A 30 4.941 9.497 -6.441 1.00 0.00 C ATOM 476 O GLY A 30 5.143 10.289 -7.362 1.00 0.00 O ATOM 0 H GLY A 30 4.578 9.080 -3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.823 10.744 -4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.436 10.156 -5.044 1.00 0.00 H new ATOM 480 N SER A 31 4.363 8.306 -6.643 1.00 0.00 N ATOM 481 CA SER A 31 3.953 7.721 -7.930 1.00 0.00 C ATOM 482 C SER A 31 3.063 6.484 -7.718 1.00 0.00 C ATOM 483 O SER A 31 3.087 5.875 -6.646 1.00 0.00 O ATOM 484 CB SER A 31 5.206 7.312 -8.723 1.00 0.00 C ATOM 485 OG SER A 31 4.861 6.945 -10.049 1.00 0.00 O ATOM 0 H SER A 31 4.155 7.683 -5.862 1.00 0.00 H new ATOM 0 HA SER A 31 3.382 8.468 -8.481 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.917 8.138 -8.742 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.701 6.477 -8.226 1.00 0.00 H new ATOM 0 HG SER A 31 5.670 6.690 -10.539 1.00 0.00 H new ATOM 491 N CYS A 32 2.305 6.086 -8.746 1.00 0.00 N ATOM 492 CA CYS A 32 1.502 4.861 -8.807 1.00 0.00 C ATOM 493 C CYS A 32 2.131 3.835 -9.773 1.00 0.00 C ATOM 494 O CYS A 32 2.090 4.007 -10.994 1.00 0.00 O ATOM 495 CB CYS A 32 0.075 5.212 -9.239 1.00 0.00 C ATOM 496 SG CYS A 32 -0.878 6.249 -8.099 1.00 0.00 S ATOM 0 H CYS A 32 2.232 6.638 -9.601 1.00 0.00 H new ATOM 0 HA CYS A 32 1.475 4.404 -7.818 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.124 5.719 -10.203 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.473 4.283 -9.396 1.00 0.00 H new ATOM 501 N GLY A 33 2.714 2.757 -9.235 1.00 0.00 N ATOM 502 CA GLY A 33 3.420 1.714 -9.995 1.00 0.00 C ATOM 503 C GLY A 33 2.489 0.672 -10.627 1.00 0.00 C ATOM 504 O GLY A 33 2.487 -0.492 -10.221 1.00 0.00 O ATOM 0 H GLY A 33 2.708 2.580 -8.231 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.009 2.186 -10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.121 1.207 -9.333 1.00 0.00 H new ATOM 508 N SER A 34 1.694 1.091 -11.615 1.00 0.00 N ATOM 509 CA SER A 34 0.817 0.215 -12.412 1.00 0.00 C ATOM 510 C SER A 34 1.609 -0.727 -13.345 1.00 0.00 C ATOM 511 O SER A 34 2.744 -0.429 -13.733 1.00 0.00 O ATOM 512 CB SER A 34 -0.147 1.081 -13.233 1.00 0.00 C ATOM 513 OG SER A 34 -1.185 0.286 -13.785 1.00 0.00 O ATOM 0 H SER A 34 1.638 2.071 -11.893 1.00 0.00 H new ATOM 0 HA SER A 34 0.263 -0.419 -11.720 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.574 1.859 -12.600 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.398 1.584 -14.032 1.00 0.00 H new ATOM 0 HG SER A 34 -1.792 0.854 -14.304 1.00 0.00 H new ATOM 519 N GLY A 35 0.995 -1.848 -13.748 1.00 0.00 N ATOM 520 CA GLY A 35 1.565 -2.845 -14.668 1.00 0.00 C ATOM 521 C GLY A 35 2.791 -3.604 -14.129 1.00 0.00 C ATOM 522 O GLY A 35 3.116 -3.549 -12.939 1.00 0.00 O ATOM 0 H GLY A 35 0.057 -2.095 -13.433 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.790 -3.569 -14.920 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.846 -2.344 -15.594 1.00 0.00 H new ATOM 526 N GLY A 36 3.463 -4.344 -15.019 1.00 0.00 N ATOM 527 CA GLY A 36 4.737 -5.037 -14.773 1.00 0.00 C ATOM 528 C GLY A 36 4.685 -6.534 -15.098 1.00 0.00 C ATOM 529 O GLY A 36 4.810 -6.924 -16.263 1.00 0.00 O ATOM 0 H GLY A 36 3.121 -4.483 -15.970 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.519 -4.569 -15.372 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.017 -4.909 -13.727 1.00 0.00 H new ATOM 533 N SER A 37 4.513 -7.372 -14.072 1.00 0.00 N ATOM 534 CA SER A 37 4.549 -8.846 -14.148 1.00 0.00 C ATOM 535 C SER A 37 3.602 -9.514 -13.134 1.00 0.00 C ATOM 536 O SER A 37 3.121 -8.874 -12.194 1.00 0.00 O ATOM 537 CB SER A 37 5.998 -9.342 -13.972 1.00 0.00 C ATOM 538 OG SER A 37 6.662 -8.732 -12.871 1.00 0.00 O ATOM 0 H SER A 37 4.338 -7.035 -13.125 1.00 0.00 H new ATOM 0 HA SER A 37 4.189 -9.137 -15.135 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.992 -10.423 -13.833 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.559 -9.141 -14.885 1.00 0.00 H new ATOM 0 HG SER A 37 7.575 -9.083 -12.804 1.00 0.00 H new ATOM 544 N GLY A 38 3.335 -10.814 -13.308 1.00 0.00 N ATOM 545 CA GLY A 38 2.331 -11.599 -12.568 1.00 0.00 C ATOM 546 C GLY A 38 2.763 -12.074 -11.175 1.00 0.00 C ATOM 547 O GLY A 38 2.628 -13.254 -10.843 1.00 0.00 O ATOM 0 H GLY A 38 3.833 -11.375 -13.999 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.428 -10.997 -12.464 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.065 -12.472 -13.165 1.00 0.00 H new ATOM 551 N ILE A 39 3.300 -11.163 -10.364 1.00 0.00 N ATOM 552 CA ILE A 39 3.769 -11.407 -8.993 1.00 0.00 C ATOM 553 C ILE A 39 2.587 -11.545 -8.024 1.00 0.00 C ATOM 554 O ILE A 39 1.559 -10.873 -8.151 1.00 0.00 O ATOM 555 CB ILE A 39 4.732 -10.278 -8.560 1.00 0.00 C ATOM 556 CG1 ILE A 39 5.959 -10.203 -9.495 1.00 0.00 C ATOM 557 CG2 ILE A 39 5.199 -10.378 -7.094 1.00 0.00 C ATOM 558 CD1 ILE A 39 6.915 -11.405 -9.468 1.00 0.00 C ATOM 0 H ILE A 39 3.427 -10.193 -10.653 1.00 0.00 H new ATOM 0 HA ILE A 39 4.315 -12.350 -8.968 1.00 0.00 H new ATOM 0 HB ILE A 39 4.149 -9.360 -8.640 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.602 -10.074 -10.517 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.528 -9.309 -9.241 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.871 -9.550 -6.869 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.334 -10.333 -6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.723 -11.322 -6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.735 -11.234 -10.166 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.315 -11.529 -8.462 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.375 -12.306 -9.758 1.00 0.00 H new ATOM 570 N PHE A 40 2.772 -12.413 -7.031 1.00 0.00 N ATOM 571 CA PHE A 40 1.788 -12.757 -5.990 1.00 0.00 C ATOM 572 C PHE A 40 2.399 -12.880 -4.575 1.00 0.00 C ATOM 573 O PHE A 40 1.720 -13.286 -3.630 1.00 0.00 O ATOM 574 CB PHE A 40 1.037 -14.029 -6.422 1.00 0.00 C ATOM 575 CG PHE A 40 1.824 -15.324 -6.292 1.00 0.00 C ATOM 576 CD1 PHE A 40 2.741 -15.705 -7.290 1.00 0.00 C ATOM 577 CD2 PHE A 40 1.637 -16.152 -5.168 1.00 0.00 C ATOM 578 CE1 PHE A 40 3.476 -16.898 -7.157 1.00 0.00 C ATOM 579 CE2 PHE A 40 2.368 -17.347 -5.036 1.00 0.00 C ATOM 580 CZ PHE A 40 3.290 -17.718 -6.030 1.00 0.00 C ATOM 0 H PHE A 40 3.649 -12.922 -6.920 1.00 0.00 H new ATOM 0 HA PHE A 40 1.082 -11.931 -5.901 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.128 -14.114 -5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.728 -13.914 -7.461 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.881 -15.080 -8.160 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.929 -15.868 -4.404 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.183 -17.184 -7.921 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.221 -17.978 -4.172 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.855 -18.633 -5.928 1.00 0.00 H new ATOM 590 N LEU A 41 3.680 -12.516 -4.417 1.00 0.00 N ATOM 591 CA LEU A 41 4.451 -12.585 -3.165 1.00 0.00 C ATOM 592 C LEU A 41 4.046 -11.507 -2.139 1.00 0.00 C ATOM 593 O LEU A 41 4.436 -11.574 -0.972 1.00 0.00 O ATOM 594 CB LEU A 41 5.949 -12.442 -3.508 1.00 0.00 C ATOM 595 CG LEU A 41 6.538 -13.602 -4.336 1.00 0.00 C ATOM 596 CD1 LEU A 41 7.931 -13.221 -4.837 1.00 0.00 C ATOM 597 CD2 LEU A 41 6.662 -14.885 -3.513 1.00 0.00 C ATOM 0 H LEU A 41 4.232 -12.149 -5.192 1.00 0.00 H new ATOM 0 HA LEU A 41 4.240 -13.547 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.094 -11.512 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.513 -12.355 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 41 5.858 -13.783 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.345 -14.043 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.862 -12.330 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.581 -13.018 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.081 -15.677 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.317 -14.708 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.677 -15.186 -3.158 1.00 0.00 H new ATOM 609 N GLU A 42 3.280 -10.504 -2.572 1.00 0.00 N ATOM 610 CA GLU A 42 2.783 -9.398 -1.750 1.00 0.00 C ATOM 611 C GLU A 42 1.763 -9.840 -0.682 1.00 0.00 C ATOM 612 O GLU A 42 1.164 -10.918 -0.758 1.00 0.00 O ATOM 613 CB GLU A 42 2.138 -8.349 -2.673 1.00 0.00 C ATOM 614 CG GLU A 42 2.612 -6.933 -2.346 1.00 0.00 C ATOM 615 CD GLU A 42 1.895 -5.909 -3.242 1.00 0.00 C ATOM 616 OE1 GLU A 42 0.677 -5.692 -3.039 1.00 0.00 O ATOM 617 OE2 GLU A 42 2.536 -5.327 -4.150 1.00 0.00 O ATOM 0 H GLU A 42 2.977 -10.437 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 42 3.636 -8.984 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.378 -8.582 -3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.053 -8.400 -2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.415 -6.710 -1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.690 -6.861 -2.490 1.00 0.00 H new ATOM 624 N THR A 43 1.504 -8.958 0.285 1.00 0.00 N ATOM 625 CA THR A 43 0.477 -9.160 1.329 1.00 0.00 C ATOM 626 C THR A 43 -0.945 -9.127 0.750 1.00 0.00 C ATOM 627 O THR A 43 -1.816 -9.865 1.213 1.00 0.00 O ATOM 628 CB THR A 43 0.615 -8.108 2.441 1.00 0.00 C ATOM 629 OG1 THR A 43 1.931 -8.136 2.956 1.00 0.00 O ATOM 630 CG2 THR A 43 -0.338 -8.354 3.614 1.00 0.00 C ATOM 0 H THR A 43 2.002 -8.072 0.373 1.00 0.00 H new ATOM 0 HA THR A 43 0.643 -10.151 1.752 1.00 0.00 H new ATOM 0 HB THR A 43 0.372 -7.147 1.989 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.020 -7.464 3.664 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.195 -7.580 4.368 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.368 -8.328 3.258 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.131 -9.330 4.053 1.00 0.00 H new ATOM 638 N SER A 44 -1.175 -8.304 -0.284 1.00 0.00 N ATOM 639 CA SER A 44 -2.450 -8.140 -1.005 1.00 0.00 C ATOM 640 C SER A 44 -3.669 -7.992 -0.074 1.00 0.00 C ATOM 641 O SER A 44 -4.626 -8.766 -0.140 1.00 0.00 O ATOM 642 CB SER A 44 -2.599 -9.271 -2.036 1.00 0.00 C ATOM 643 OG SER A 44 -3.644 -8.992 -2.955 1.00 0.00 O ATOM 0 H SER A 44 -0.441 -7.704 -0.660 1.00 0.00 H new ATOM 0 HA SER A 44 -2.421 -7.191 -1.540 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.661 -9.401 -2.576 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.804 -10.210 -1.522 1.00 0.00 H new ATOM 0 HG SER A 44 -3.717 -9.726 -3.600 1.00 0.00 H new ATOM 649 N LEU A 45 -3.652 -6.958 0.784 1.00 0.00 N ATOM 650 CA LEU A 45 -4.682 -6.653 1.797 1.00 0.00 C ATOM 651 C LEU A 45 -6.124 -6.511 1.244 1.00 0.00 C ATOM 652 O LEU A 45 -7.083 -6.635 2.005 1.00 0.00 O ATOM 653 CB LEU A 45 -4.273 -5.390 2.591 1.00 0.00 C ATOM 654 CG LEU A 45 -3.164 -5.597 3.638 1.00 0.00 C ATOM 655 CD1 LEU A 45 -1.783 -5.282 3.052 1.00 0.00 C ATOM 656 CD2 LEU A 45 -3.361 -4.653 4.824 1.00 0.00 C ATOM 0 H LEU A 45 -2.888 -6.282 0.793 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.722 -7.522 2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.944 -4.628 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.156 -4.997 3.095 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.220 -6.640 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.020 -5.437 3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.588 -5.940 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.757 -4.244 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.567 -4.814 5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.330 -3.620 4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.327 -4.850 5.289 1.00 0.00 H new ATOM 668 N SER A 46 -6.285 -6.348 -0.075 1.00 0.00 N ATOM 669 CA SER A 46 -7.557 -6.475 -0.817 1.00 0.00 C ATOM 670 C SER A 46 -8.285 -7.813 -0.572 1.00 0.00 C ATOM 671 O SER A 46 -9.519 -7.848 -0.540 1.00 0.00 O ATOM 672 CB SER A 46 -7.266 -6.280 -2.316 1.00 0.00 C ATOM 673 OG SER A 46 -8.381 -6.545 -3.150 1.00 0.00 O ATOM 0 H SER A 46 -5.502 -6.114 -0.685 1.00 0.00 H new ATOM 0 HA SER A 46 -8.236 -5.706 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.934 -5.255 -2.483 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.443 -6.933 -2.606 1.00 0.00 H new ATOM 0 HG SER A 46 -8.940 -5.742 -3.214 1.00 0.00 H new ATOM 679 N ALA A 47 -7.545 -8.902 -0.329 1.00 0.00 N ATOM 680 CA ALA A 47 -8.061 -10.244 -0.062 1.00 0.00 C ATOM 681 C ALA A 47 -7.528 -10.787 1.277 1.00 0.00 C ATOM 682 O ALA A 47 -6.334 -11.060 1.430 1.00 0.00 O ATOM 683 CB ALA A 47 -7.726 -11.155 -1.249 1.00 0.00 C ATOM 0 H ALA A 47 -6.526 -8.867 -0.313 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.146 -10.210 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.108 -12.158 -1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.187 -10.758 -2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.645 -11.197 -1.381 1.00 0.00 H new ATOM 689 N GLY A 48 -8.418 -10.923 2.265 1.00 0.00 N ATOM 690 CA GLY A 48 -8.099 -11.419 3.612 1.00 0.00 C ATOM 691 C GLY A 48 -7.691 -10.338 4.629 1.00 0.00 C ATOM 692 O GLY A 48 -7.329 -10.679 5.758 1.00 0.00 O ATOM 0 H GLY A 48 -9.404 -10.686 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.967 -11.952 4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.289 -12.144 3.532 1.00 0.00 H new ATOM 696 N SER A 49 -7.753 -9.053 4.262 1.00 0.00 N ATOM 697 CA SER A 49 -7.540 -7.904 5.156 1.00 0.00 C ATOM 698 C SER A 49 -8.548 -6.779 4.871 1.00 0.00 C ATOM 699 O SER A 49 -9.568 -6.992 4.210 1.00 0.00 O ATOM 700 CB SER A 49 -6.092 -7.407 5.053 1.00 0.00 C ATOM 701 OG SER A 49 -5.533 -7.249 6.346 1.00 0.00 O ATOM 0 H SER A 49 -7.960 -8.773 3.303 1.00 0.00 H new ATOM 0 HA SER A 49 -7.711 -8.232 6.181 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.497 -8.115 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.063 -6.457 4.518 1.00 0.00 H new ATOM 0 HG SER A 49 -5.935 -6.469 6.783 1.00 0.00 H new ATOM 707 N ASP A 50 -8.307 -5.589 5.422 1.00 0.00 N ATOM 708 CA ASP A 50 -9.157 -4.412 5.311 1.00 0.00 C ATOM 709 C ASP A 50 -8.313 -3.131 5.470 1.00 0.00 C ATOM 710 O ASP A 50 -7.140 -3.153 5.842 1.00 0.00 O ATOM 711 CB ASP A 50 -10.264 -4.500 6.387 1.00 0.00 C ATOM 712 CG ASP A 50 -11.601 -3.873 5.948 1.00 0.00 C ATOM 713 OD1 ASP A 50 -11.588 -2.825 5.262 1.00 0.00 O ATOM 714 OD2 ASP A 50 -12.670 -4.423 6.306 1.00 0.00 O ATOM 0 H ASP A 50 -7.473 -5.416 5.984 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.624 -4.373 4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.429 -5.547 6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.919 -4.002 7.293 1.00 0.00 H new ATOM 719 N TRP A 51 -8.941 -1.989 5.242 1.00 0.00 N ATOM 720 CA TRP A 51 -8.463 -0.645 5.582 1.00 0.00 C ATOM 721 C TRP A 51 -8.144 -0.512 7.083 1.00 0.00 C ATOM 722 O TRP A 51 -7.166 0.132 7.472 1.00 0.00 O ATOM 723 CB TRP A 51 -9.518 0.377 5.137 1.00 0.00 C ATOM 724 CG TRP A 51 -9.639 1.598 5.995 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.647 1.853 6.859 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.697 2.702 6.132 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.408 3.055 7.497 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.228 3.631 7.072 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.435 2.997 5.581 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.565 4.819 7.407 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.752 4.179 5.919 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.319 5.096 6.818 1.00 0.00 C ATOM 0 H TRP A 51 -9.854 -1.967 4.787 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.527 -0.454 5.057 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.286 0.692 4.119 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.488 -0.120 5.104 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.504 1.217 7.024 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -11.027 3.466 8.196 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.984 2.303 4.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -9.005 5.512 8.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.785 4.383 5.484 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.799 6.012 7.057 1.00 0.00 H new ATOM 743 N LEU A 52 -8.958 -1.141 7.938 1.00 0.00 N ATOM 744 CA LEU A 52 -8.827 -1.112 9.396 1.00 0.00 C ATOM 745 C LEU A 52 -7.460 -1.655 9.859 1.00 0.00 C ATOM 746 O LEU A 52 -6.802 -1.055 10.710 1.00 0.00 O ATOM 747 CB LEU A 52 -10.020 -1.882 10.011 1.00 0.00 C ATOM 748 CG LEU A 52 -10.693 -1.224 11.230 1.00 0.00 C ATOM 749 CD1 LEU A 52 -9.717 -0.953 12.374 1.00 0.00 C ATOM 750 CD2 LEU A 52 -11.406 0.080 10.866 1.00 0.00 C ATOM 0 H LEU A 52 -9.750 -1.701 7.623 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.858 -0.081 9.749 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.774 -2.022 9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.675 -2.874 10.303 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.430 -1.952 11.569 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.249 -0.489 13.204 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.276 -1.893 12.706 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.929 -0.284 12.029 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.865 0.505 11.759 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.685 0.787 10.456 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.178 -0.122 10.123 1.00 0.00 H new ATOM 762 N THR A 53 -7.008 -2.759 9.258 1.00 0.00 N ATOM 763 CA THR A 53 -5.683 -3.365 9.475 1.00 0.00 C ATOM 764 C THR A 53 -4.573 -2.716 8.642 1.00 0.00 C ATOM 765 O THR A 53 -3.447 -2.625 9.124 1.00 0.00 O ATOM 766 CB THR A 53 -5.712 -4.875 9.179 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.397 -5.128 7.974 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.437 -5.644 10.283 1.00 0.00 C ATOM 0 H THR A 53 -7.571 -3.277 8.583 1.00 0.00 H new ATOM 0 HA THR A 53 -5.452 -3.191 10.526 1.00 0.00 H new ATOM 0 HB THR A 53 -4.675 -5.204 9.114 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.362 -4.331 7.404 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.440 -6.707 10.044 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.925 -5.487 11.232 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.464 -5.287 10.361 1.00 0.00 H new ATOM 776 N PHE A 54 -4.863 -2.191 7.444 1.00 0.00 N ATOM 777 CA PHE A 54 -3.916 -1.480 6.564 1.00 0.00 C ATOM 778 C PHE A 54 -3.189 -0.324 7.269 1.00 0.00 C ATOM 779 O PHE A 54 -1.987 -0.132 7.075 1.00 0.00 O ATOM 780 CB PHE A 54 -4.679 -0.970 5.329 1.00 0.00 C ATOM 781 CG PHE A 54 -3.941 0.029 4.461 1.00 0.00 C ATOM 782 CD1 PHE A 54 -4.061 1.410 4.720 1.00 0.00 C ATOM 783 CD2 PHE A 54 -3.143 -0.412 3.392 1.00 0.00 C ATOM 784 CE1 PHE A 54 -3.374 2.346 3.928 1.00 0.00 C ATOM 785 CE2 PHE A 54 -2.455 0.526 2.605 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.561 1.900 2.876 1.00 0.00 C ATOM 0 H PHE A 54 -5.799 -2.250 7.043 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.138 -2.184 6.268 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -4.949 -1.828 4.713 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.610 -0.513 5.664 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.685 1.751 5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.059 -1.467 3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.472 3.403 4.128 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.839 0.188 1.785 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.017 2.613 2.274 1.00 0.00 H new ATOM 796 N GLN A 55 -3.903 0.410 8.125 1.00 0.00 N ATOM 797 CA GLN A 55 -3.323 1.426 9.006 1.00 0.00 C ATOM 798 C GLN A 55 -2.274 0.803 9.935 1.00 0.00 C ATOM 799 O GLN A 55 -1.090 1.122 9.843 1.00 0.00 O ATOM 800 CB GLN A 55 -4.433 2.098 9.821 1.00 0.00 C ATOM 801 CG GLN A 55 -5.346 2.964 8.949 1.00 0.00 C ATOM 802 CD GLN A 55 -6.698 3.121 9.623 1.00 0.00 C ATOM 803 OE1 GLN A 55 -6.932 3.993 10.449 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.620 2.235 9.331 1.00 0.00 N ATOM 0 H GLN A 55 -4.913 0.314 8.227 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.826 2.180 8.395 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.028 1.334 10.321 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.986 2.715 10.601 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.892 3.942 8.790 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.469 2.506 7.967 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.428 1.507 8.643 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.529 2.274 9.792 1.00 0.00 H new ATOM 813 N LYS A 56 -2.692 -0.130 10.802 1.00 0.00 N ATOM 814 CA LYS A 56 -1.784 -0.802 11.761 1.00 0.00 C ATOM 815 C LYS A 56 -0.614 -1.548 11.087 1.00 0.00 C ATOM 816 O LYS A 56 0.433 -1.726 11.713 1.00 0.00 O ATOM 817 CB LYS A 56 -2.559 -1.745 12.705 1.00 0.00 C ATOM 818 CG LYS A 56 -3.378 -1.025 13.793 1.00 0.00 C ATOM 819 CD LYS A 56 -4.746 -0.508 13.326 1.00 0.00 C ATOM 820 CE LYS A 56 -5.490 0.142 14.498 1.00 0.00 C ATOM 821 NZ LYS A 56 -6.840 0.613 14.090 1.00 0.00 N ATOM 0 H LYS A 56 -3.661 -0.443 10.864 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.339 -0.001 12.351 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.232 -2.362 12.110 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.851 -2.419 13.187 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.529 -1.709 14.628 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.796 -0.184 14.171 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.615 0.216 12.522 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.336 -1.331 12.922 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.584 -0.575 15.313 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.909 0.982 14.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.317 1.048 14.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.747 1.315 13.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.401 -0.194 13.750 1.00 0.00 H new ATOM 835 N LYS A 57 -0.760 -1.947 9.817 1.00 0.00 N ATOM 836 CA LYS A 57 0.255 -2.627 8.992 1.00 0.00 C ATOM 837 C LYS A 57 1.496 -1.758 8.716 1.00 0.00 C ATOM 838 O LYS A 57 2.605 -2.263 8.871 1.00 0.00 O ATOM 839 CB LYS A 57 -0.420 -3.136 7.700 1.00 0.00 C ATOM 840 CG LYS A 57 0.422 -4.053 6.793 1.00 0.00 C ATOM 841 CD LYS A 57 0.297 -5.555 7.105 1.00 0.00 C ATOM 842 CE LYS A 57 1.067 -5.983 8.361 1.00 0.00 C ATOM 843 NZ LYS A 57 0.951 -7.448 8.594 1.00 0.00 N ATOM 0 H LYS A 57 -1.632 -1.798 9.309 1.00 0.00 H new ATOM 0 HA LYS A 57 0.646 -3.478 9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.326 -3.673 7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.730 -2.270 7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.129 -3.885 5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.469 -3.764 6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.756 -5.806 7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.661 -6.127 6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.117 -5.711 8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.683 -5.443 9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.482 -7.706 9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.050 -7.702 8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.340 -7.961 7.777 1.00 0.00 H new ATOM 857 N HIS A 58 1.349 -0.491 8.293 1.00 0.00 N ATOM 858 CA HIS A 58 2.495 0.383 7.934 1.00 0.00 C ATOM 859 C HIS A 58 2.240 1.905 8.050 1.00 0.00 C ATOM 860 O HIS A 58 2.878 2.706 7.370 1.00 0.00 O ATOM 861 CB HIS A 58 2.993 0.001 6.527 1.00 0.00 C ATOM 862 CG HIS A 58 2.062 0.461 5.438 1.00 0.00 C ATOM 863 ND1 HIS A 58 2.255 1.584 4.662 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.822 -0.048 5.169 1.00 0.00 C ATOM 865 CE1 HIS A 58 1.129 1.768 3.943 1.00 0.00 C ATOM 866 NE2 HIS A 58 0.245 0.793 4.239 1.00 0.00 N ATOM 0 H HIS A 58 0.440 -0.039 8.188 1.00 0.00 H new ATOM 0 HA HIS A 58 3.265 0.198 8.683 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.979 0.436 6.364 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.108 -1.081 6.468 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.092 2.166 4.636 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.380 -0.934 5.600 1.00 0.00 H new ATOM 0 HE1 HIS A 58 0.961 2.571 3.240 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.690 0.694 3.843 1.00 0.00 H new ATOM 875 N ILE A 59 1.306 2.338 8.887 1.00 0.00 N ATOM 876 CA ILE A 59 0.946 3.757 9.107 1.00 0.00 C ATOM 877 C ILE A 59 0.963 4.065 10.607 1.00 0.00 C ATOM 878 O ILE A 59 0.671 3.201 11.437 1.00 0.00 O ATOM 879 CB ILE A 59 -0.417 4.109 8.448 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.413 3.671 6.961 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.756 5.607 8.592 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.499 4.287 6.074 1.00 0.00 C ATOM 0 H ILE A 59 0.752 1.699 9.457 1.00 0.00 H new ATOM 0 HA ILE A 59 1.689 4.390 8.622 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.200 3.561 8.972 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.559 3.917 6.534 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.513 2.586 6.923 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.716 5.810 8.118 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.811 5.868 9.649 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.019 6.203 8.111 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.397 3.908 5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.481 4.021 6.464 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.393 5.372 6.069 1.00 0.00 H new ATOM 894 N THR A 60 1.318 5.300 10.967 1.00 0.00 N ATOM 895 CA THR A 60 1.329 5.758 12.367 1.00 0.00 C ATOM 896 C THR A 60 0.975 7.241 12.532 1.00 0.00 C ATOM 897 O THR A 60 1.113 8.041 11.609 1.00 0.00 O ATOM 898 CB THR A 60 2.685 5.429 13.017 1.00 0.00 C ATOM 899 OG1 THR A 60 2.629 5.741 14.389 1.00 0.00 O ATOM 900 CG2 THR A 60 3.874 6.172 12.401 1.00 0.00 C ATOM 0 H THR A 60 1.607 6.015 10.299 1.00 0.00 H new ATOM 0 HA THR A 60 0.539 5.214 12.884 1.00 0.00 H new ATOM 0 HB THR A 60 2.852 4.366 12.844 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.507 6.055 14.689 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.790 5.883 12.916 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.956 5.915 11.345 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.724 7.247 12.503 1.00 0.00 H new ATOM 908 N ASN A 61 0.553 7.617 13.743 1.00 0.00 N ATOM 909 CA ASN A 61 0.372 8.989 14.217 1.00 0.00 C ATOM 910 C ASN A 61 1.596 9.507 15.016 1.00 0.00 C ATOM 911 O ASN A 61 1.563 10.618 15.548 1.00 0.00 O ATOM 912 CB ASN A 61 -0.928 9.024 15.039 1.00 0.00 C ATOM 913 CG ASN A 61 -2.165 8.913 14.161 1.00 0.00 C ATOM 914 OD1 ASN A 61 -2.603 9.872 13.543 1.00 0.00 O ATOM 915 ND2 ASN A 61 -2.775 7.752 14.080 1.00 0.00 N ATOM 0 H ASN A 61 0.315 6.931 14.459 1.00 0.00 H new ATOM 0 HA ASN A 61 0.292 9.669 13.369 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.922 8.207 15.760 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.971 9.952 15.609 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.610 7.654 13.503 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.413 6.949 14.594 1.00 0.00 H new ATOM 922 N THR A 62 2.675 8.719 15.112 1.00 0.00 N ATOM 923 CA THR A 62 3.974 9.086 15.705 1.00 0.00 C ATOM 924 C THR A 62 5.079 8.119 15.247 1.00 0.00 C ATOM 925 O THR A 62 5.019 6.915 15.517 1.00 0.00 O ATOM 926 CB THR A 62 3.890 9.165 17.246 1.00 0.00 C ATOM 927 OG1 THR A 62 5.147 9.520 17.788 1.00 0.00 O ATOM 928 CG2 THR A 62 3.417 7.895 17.964 1.00 0.00 C ATOM 0 H THR A 62 2.669 7.761 14.762 1.00 0.00 H new ATOM 0 HA THR A 62 4.235 10.082 15.347 1.00 0.00 H new ATOM 0 HB THR A 62 3.125 9.922 17.422 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.080 9.568 18.765 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.398 8.071 19.040 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.415 7.635 17.621 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.101 7.076 17.742 1.00 0.00 H new ATOM 936 N ARG A 63 6.087 8.603 14.501 1.00 0.00 N ATOM 937 CA ARG A 63 7.253 7.787 14.113 1.00 0.00 C ATOM 938 C ARG A 63 8.103 7.434 15.343 1.00 0.00 C ATOM 939 O ARG A 63 8.838 8.275 15.861 1.00 0.00 O ATOM 940 CB ARG A 63 8.095 8.488 13.030 1.00 0.00 C ATOM 941 CG ARG A 63 9.152 7.512 12.487 1.00 0.00 C ATOM 942 CD ARG A 63 10.192 8.171 11.578 1.00 0.00 C ATOM 943 NE ARG A 63 11.254 8.850 12.350 1.00 0.00 N ATOM 944 CZ ARG A 63 11.400 10.136 12.616 1.00 0.00 C ATOM 945 NH1 ARG A 63 10.543 11.036 12.223 1.00 0.00 N ATOM 946 NH2 ARG A 63 12.432 10.548 13.294 1.00 0.00 N ATOM 0 H ARG A 63 6.118 9.561 14.152 1.00 0.00 H new ATOM 0 HA ARG A 63 6.883 6.857 13.682 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.451 8.831 12.220 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.580 9.371 13.447 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.663 7.041 13.326 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.650 6.718 11.933 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.640 7.415 10.933 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.699 8.893 10.928 1.00 0.00 H new ATOM 0 HE ARG A 63 11.976 8.239 12.731 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.720 10.758 11.688 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.695 12.019 12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.128 9.878 13.620 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.544 11.541 13.499 1.00 0.00 H new ATOM 960 N ASP A 64 8.028 6.177 15.778 1.00 0.00 N ATOM 961 CA ASP A 64 8.779 5.625 16.918 1.00 0.00 C ATOM 962 C ASP A 64 9.785 4.520 16.519 1.00 0.00 C ATOM 963 O ASP A 64 10.451 3.923 17.368 1.00 0.00 O ATOM 964 CB ASP A 64 7.766 5.159 17.978 1.00 0.00 C ATOM 965 CG ASP A 64 8.406 4.862 19.347 1.00 0.00 C ATOM 966 OD1 ASP A 64 9.073 5.761 19.915 1.00 0.00 O ATOM 967 OD2 ASP A 64 8.197 3.749 19.888 1.00 0.00 O ATOM 0 H ASP A 64 7.423 5.486 15.335 1.00 0.00 H new ATOM 0 HA ASP A 64 9.411 6.408 17.336 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.002 5.926 18.101 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.262 4.262 17.619 1.00 0.00 H new ATOM 972 N VAL A 65 9.916 4.245 15.217 1.00 0.00 N ATOM 973 CA VAL A 65 10.864 3.267 14.658 1.00 0.00 C ATOM 974 C VAL A 65 12.322 3.759 14.726 1.00 0.00 C ATOM 975 O VAL A 65 12.614 4.933 14.497 1.00 0.00 O ATOM 976 CB VAL A 65 10.451 2.873 13.221 1.00 0.00 C ATOM 977 CG1 VAL A 65 10.269 4.062 12.270 1.00 0.00 C ATOM 978 CG2 VAL A 65 11.455 1.904 12.596 1.00 0.00 C ATOM 0 H VAL A 65 9.353 4.706 14.502 1.00 0.00 H new ATOM 0 HA VAL A 65 10.820 2.372 15.279 1.00 0.00 H new ATOM 0 HB VAL A 65 9.479 2.394 13.341 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.980 3.698 11.284 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.491 4.721 12.656 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.206 4.613 12.193 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.134 1.648 11.586 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.438 2.374 12.556 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.510 0.998 13.200 1.00 0.00 H new ATOM 988 N ASP A 66 13.247 2.825 14.983 1.00 0.00 N ATOM 989 CA ASP A 66 14.710 3.008 14.911 1.00 0.00 C ATOM 990 C ASP A 66 15.415 1.897 14.087 1.00 0.00 C ATOM 991 O ASP A 66 16.643 1.835 14.025 1.00 0.00 O ATOM 992 CB ASP A 66 15.254 3.101 16.347 1.00 0.00 C ATOM 993 CG ASP A 66 16.689 3.661 16.425 1.00 0.00 C ATOM 994 OD1 ASP A 66 16.950 4.749 15.855 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.544 3.051 17.111 1.00 0.00 O ATOM 0 H ASP A 66 12.989 1.878 15.259 1.00 0.00 H new ATOM 0 HA ASP A 66 14.928 3.932 14.376 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.592 3.735 16.938 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.234 2.110 16.800 1.00 0.00 H new ATOM 1000 N CYS A 67 14.633 1.014 13.445 1.00 0.00 N ATOM 1001 CA CYS A 67 15.052 -0.150 12.645 1.00 0.00 C ATOM 1002 C CYS A 67 16.048 -1.090 13.374 1.00 0.00 C ATOM 1003 O CYS A 67 16.978 -1.636 12.782 1.00 0.00 O ATOM 1004 CB CYS A 67 15.475 0.308 11.237 1.00 0.00 C ATOM 1005 SG CYS A 67 14.313 1.478 10.463 1.00 0.00 S ATOM 0 H CYS A 67 13.617 1.101 13.473 1.00 0.00 H new ATOM 0 HA CYS A 67 14.192 -0.805 12.511 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.459 0.774 11.297 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.576 -0.567 10.595 1.00 0.00 H new ATOM 1010 N ASP A 68 15.824 -1.282 14.682 1.00 0.00 N ATOM 1011 CA ASP A 68 16.609 -2.093 15.630 1.00 0.00 C ATOM 1012 C ASP A 68 15.774 -2.588 16.833 1.00 0.00 C ATOM 1013 O ASP A 68 16.055 -3.651 17.385 1.00 0.00 O ATOM 1014 CB ASP A 68 17.796 -1.266 16.161 1.00 0.00 C ATOM 1015 CG ASP A 68 19.098 -1.521 15.379 1.00 0.00 C ATOM 1016 OD1 ASP A 68 19.532 -2.695 15.310 1.00 0.00 O ATOM 1017 OD2 ASP A 68 19.728 -0.549 14.899 1.00 0.00 O ATOM 0 H ASP A 68 15.028 -0.841 15.142 1.00 0.00 H new ATOM 0 HA ASP A 68 16.955 -2.969 15.082 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.547 -0.206 16.108 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.957 -1.503 17.213 1.00 0.00 H new ATOM 1022 N ASN A 69 14.721 -1.859 17.225 1.00 0.00 N ATOM 1023 CA ASN A 69 13.805 -2.195 18.323 1.00 0.00 C ATOM 1024 C ASN A 69 12.413 -2.651 17.845 1.00 0.00 C ATOM 1025 O ASN A 69 11.546 -2.980 18.657 1.00 0.00 O ATOM 1026 CB ASN A 69 13.769 -1.028 19.330 1.00 0.00 C ATOM 1027 CG ASN A 69 13.443 0.361 18.793 1.00 0.00 C ATOM 1028 OD1 ASN A 69 12.477 0.516 17.917 1.00 0.00 O flip ATOM 1029 ND2 ASN A 69 14.053 1.345 19.176 1.00 0.00 N flip ATOM 0 H ASN A 69 14.474 -0.982 16.766 1.00 0.00 H new ATOM 0 HA ASN A 69 14.191 -3.074 18.839 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.036 -1.271 20.099 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.741 -0.978 19.821 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.807 1.245 19.856 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.810 2.268 18.816 1.00 0.00 H new ATOM 1036 N ILE A 70 12.200 -2.726 16.524 1.00 0.00 N ATOM 1037 CA ILE A 70 10.961 -3.209 15.883 1.00 0.00 C ATOM 1038 C ILE A 70 10.605 -4.658 16.244 1.00 0.00 C ATOM 1039 O ILE A 70 9.461 -5.068 16.068 1.00 0.00 O ATOM 1040 CB ILE A 70 11.019 -3.012 14.352 1.00 0.00 C ATOM 1041 CG1 ILE A 70 12.081 -3.921 13.687 1.00 0.00 C ATOM 1042 CG2 ILE A 70 11.227 -1.515 14.060 1.00 0.00 C ATOM 1043 CD1 ILE A 70 12.393 -3.558 12.236 1.00 0.00 C ATOM 0 H ILE A 70 12.908 -2.443 15.846 1.00 0.00 H new ATOM 0 HA ILE A 70 10.154 -2.597 16.286 1.00 0.00 H new ATOM 0 HB ILE A 70 10.075 -3.323 13.904 1.00 0.00 H new ATOM 0 HG12 ILE A 70 13.002 -3.871 14.269 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.735 -4.954 13.725 1.00 0.00 H new ATOM 0 HG21 ILE A 70 11.270 -1.357 12.982 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.397 -0.944 14.477 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.161 -1.182 14.513 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.146 -4.242 11.844 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.485 -3.636 11.638 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.771 -2.537 12.190 1.00 0.00 H new ATOM 1055 N MET A 71 11.545 -5.399 16.839 1.00 0.00 N ATOM 1056 CA MET A 71 11.321 -6.722 17.446 1.00 0.00 C ATOM 1057 C MET A 71 10.182 -6.757 18.490 1.00 0.00 C ATOM 1058 O MET A 71 9.574 -7.806 18.703 1.00 0.00 O ATOM 1059 CB MET A 71 12.630 -7.248 18.060 1.00 0.00 C ATOM 1060 CG MET A 71 13.104 -6.447 19.281 1.00 0.00 C ATOM 1061 SD MET A 71 14.673 -7.024 19.976 1.00 0.00 S ATOM 1062 CE MET A 71 14.771 -5.928 21.419 1.00 0.00 C ATOM 0 H MET A 71 12.514 -5.088 16.916 1.00 0.00 H new ATOM 0 HA MET A 71 10.996 -7.375 16.636 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.492 -8.289 18.351 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.411 -7.230 17.299 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.207 -5.400 18.998 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.337 -6.494 20.054 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.684 -6.140 21.976 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.781 -4.890 21.087 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.907 -6.095 22.062 1.00 0.00 H new ATOM 1072 N SER A 72 9.884 -5.619 19.133 1.00 0.00 N ATOM 1073 CA SER A 72 8.805 -5.464 20.124 1.00 0.00 C ATOM 1074 C SER A 72 7.459 -5.019 19.510 1.00 0.00 C ATOM 1075 O SER A 72 6.411 -5.097 20.156 1.00 0.00 O ATOM 1076 CB SER A 72 9.274 -4.457 21.185 1.00 0.00 C ATOM 1077 OG SER A 72 8.481 -4.532 22.359 1.00 0.00 O ATOM 0 H SER A 72 10.401 -4.754 18.974 1.00 0.00 H new ATOM 0 HA SER A 72 8.611 -6.441 20.566 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.317 -4.651 21.436 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.227 -3.448 20.776 1.00 0.00 H new ATOM 0 HG SER A 72 8.805 -3.880 23.015 1.00 0.00 H new ATOM 1083 N THR A 73 7.465 -4.566 18.249 1.00 0.00 N ATOM 1084 CA THR A 73 6.288 -4.075 17.501 1.00 0.00 C ATOM 1085 C THR A 73 5.630 -5.186 16.666 1.00 0.00 C ATOM 1086 O THR A 73 6.066 -6.338 16.685 1.00 0.00 O ATOM 1087 CB THR A 73 6.657 -2.889 16.585 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.392 -3.330 15.467 1.00 0.00 O ATOM 1089 CG2 THR A 73 7.451 -1.784 17.281 1.00 0.00 C ATOM 0 H THR A 73 8.321 -4.528 17.696 1.00 0.00 H new ATOM 0 HA THR A 73 5.569 -3.736 18.247 1.00 0.00 H new ATOM 0 HB THR A 73 5.701 -2.462 16.281 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.113 -3.924 15.763 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.670 -0.989 16.568 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.865 -1.380 18.107 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.385 -2.194 17.665 1.00 0.00 H new ATOM 1097 N ASN A 74 4.601 -4.847 15.878 1.00 0.00 N ATOM 1098 CA ASN A 74 4.012 -5.739 14.866 1.00 0.00 C ATOM 1099 C ASN A 74 4.985 -6.105 13.719 1.00 0.00 C ATOM 1100 O ASN A 74 4.758 -7.077 12.999 1.00 0.00 O ATOM 1101 CB ASN A 74 2.747 -5.078 14.283 1.00 0.00 C ATOM 1102 CG ASN A 74 1.736 -4.669 15.341 1.00 0.00 C ATOM 1103 OD1 ASN A 74 1.089 -5.493 15.973 1.00 0.00 O ATOM 1104 ND2 ASN A 74 1.573 -3.385 15.571 1.00 0.00 N ATOM 0 H ASN A 74 4.147 -3.935 15.925 1.00 0.00 H new ATOM 0 HA ASN A 74 3.768 -6.674 15.371 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.038 -4.198 13.710 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.273 -5.770 13.587 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.906 -3.074 16.277 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.113 -2.700 15.043 1.00 0.00 H new ATOM 1111 N LEU A 75 6.062 -5.333 13.536 1.00 0.00 N ATOM 1112 CA LEU A 75 6.954 -5.358 12.370 1.00 0.00 C ATOM 1113 C LEU A 75 8.184 -6.280 12.531 1.00 0.00 C ATOM 1114 O LEU A 75 9.092 -6.253 11.696 1.00 0.00 O ATOM 1115 CB LEU A 75 7.365 -3.906 12.043 1.00 0.00 C ATOM 1116 CG LEU A 75 6.254 -2.896 11.684 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.172 -3.483 10.784 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.597 -2.221 12.890 1.00 0.00 C ATOM 0 H LEU A 75 6.349 -4.641 14.229 1.00 0.00 H new ATOM 0 HA LEU A 75 6.403 -5.796 11.538 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.908 -3.512 12.902 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.067 -3.938 11.210 1.00 0.00 H new ATOM 0 HG LEU A 75 6.793 -2.127 11.131 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.423 -2.720 10.571 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.620 -3.823 9.850 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.698 -4.326 11.287 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.829 -1.528 12.546 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.142 -2.979 13.528 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.351 -1.675 13.457 1.00 0.00 H new ATOM 1130 N PHE A 76 8.201 -7.119 13.571 1.00 0.00 N ATOM 1131 CA PHE A 76 9.261 -8.049 13.986 1.00 0.00 C ATOM 1132 C PHE A 76 9.551 -9.188 12.995 1.00 0.00 C ATOM 1133 O PHE A 76 10.502 -9.948 13.189 1.00 0.00 O ATOM 1134 CB PHE A 76 8.880 -8.645 15.352 1.00 0.00 C ATOM 1135 CG PHE A 76 7.806 -9.723 15.312 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.445 -9.377 15.225 1.00 0.00 C ATOM 1137 CD2 PHE A 76 8.171 -11.083 15.346 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.457 -10.376 15.176 1.00 0.00 C ATOM 1139 CE2 PHE A 76 7.185 -12.085 15.297 1.00 0.00 C ATOM 1140 CZ PHE A 76 5.827 -11.733 15.212 1.00 0.00 C ATOM 0 H PHE A 76 7.402 -7.171 14.202 1.00 0.00 H new ATOM 0 HA PHE A 76 10.180 -7.465 14.032 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.776 -9.064 15.810 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.538 -7.838 16.000 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.157 -8.336 15.196 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.213 -11.358 15.410 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.414 -10.102 15.111 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.472 -13.126 15.325 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.070 -12.502 15.174 1.00 0.00 H new ATOM 1150 N HIS A 77 8.748 -9.313 11.930 1.00 0.00 N ATOM 1151 CA HIS A 77 8.765 -10.398 10.933 1.00 0.00 C ATOM 1152 C HIS A 77 10.080 -10.515 10.122 1.00 0.00 C ATOM 1153 O HIS A 77 10.207 -11.402 9.277 1.00 0.00 O ATOM 1154 CB HIS A 77 7.527 -10.230 10.021 1.00 0.00 C ATOM 1155 CG HIS A 77 6.987 -11.523 9.451 1.00 0.00 C ATOM 1156 ND1 HIS A 77 7.711 -12.481 8.770 1.00 0.00 N ATOM 1157 CD2 HIS A 77 5.691 -11.955 9.539 1.00 0.00 C ATOM 1158 CE1 HIS A 77 6.874 -13.488 8.457 1.00 0.00 C ATOM 1159 NE2 HIS A 77 5.637 -13.188 8.908 1.00 0.00 N ATOM 0 H HIS A 77 8.027 -8.621 11.727 1.00 0.00 H new ATOM 0 HA HIS A 77 8.720 -11.345 11.470 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.736 -9.740 10.590 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.786 -9.565 9.197 1.00 0.00 H new ATOM 0 HD1 HIS A 77 8.705 -12.434 8.544 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.869 -11.435 10.009 1.00 0.00 H new ATOM 0 HE1 HIS A 77 7.148 -14.390 7.930 1.00 0.00 H new ATOM 1168 N CYS A 78 11.050 -9.621 10.345 1.00 0.00 N ATOM 1169 CA CYS A 78 12.324 -9.509 9.611 1.00 0.00 C ATOM 1170 C CYS A 78 12.155 -9.391 8.078 1.00 0.00 C ATOM 1171 O CYS A 78 12.961 -9.891 7.288 1.00 0.00 O ATOM 1172 CB CYS A 78 13.282 -10.629 10.054 1.00 0.00 C ATOM 1173 SG CYS A 78 15.044 -10.285 9.769 1.00 0.00 S ATOM 0 H CYS A 78 10.967 -8.918 11.079 1.00 0.00 H new ATOM 0 HA CYS A 78 12.783 -8.557 9.880 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.131 -10.817 11.117 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.016 -11.545 9.527 1.00 0.00 H new ATOM 1178 N LYS A 79 11.072 -8.724 7.657 1.00 0.00 N ATOM 1179 CA LYS A 79 10.761 -8.377 6.260 1.00 0.00 C ATOM 1180 C LYS A 79 11.861 -7.518 5.615 1.00 0.00 C ATOM 1181 O LYS A 79 12.599 -6.815 6.306 1.00 0.00 O ATOM 1182 CB LYS A 79 9.348 -7.758 6.173 1.00 0.00 C ATOM 1183 CG LYS A 79 9.008 -6.667 7.208 1.00 0.00 C ATOM 1184 CD LYS A 79 9.714 -5.323 6.968 1.00 0.00 C ATOM 1185 CE LYS A 79 10.607 -4.842 8.122 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.821 -4.462 9.327 1.00 0.00 N ATOM 0 H LYS A 79 10.357 -8.397 8.307 1.00 0.00 H new ATOM 0 HA LYS A 79 10.746 -9.289 5.664 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.223 -7.334 5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.618 -8.561 6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.930 -6.503 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.272 -7.030 8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.323 -5.406 6.068 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.958 -4.563 6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.312 -5.631 8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.195 -3.986 7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.298 -3.680 9.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.868 -4.160 9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.747 -5.280 9.965 1.00 0.00 H new ATOM 1200 N ASP A 80 11.954 -7.562 4.287 1.00 0.00 N ATOM 1201 CA ASP A 80 13.036 -6.955 3.493 1.00 0.00 C ATOM 1202 C ASP A 80 13.016 -5.415 3.436 1.00 0.00 C ATOM 1203 O ASP A 80 14.072 -4.793 3.296 1.00 0.00 O ATOM 1204 CB ASP A 80 13.042 -7.562 2.080 1.00 0.00 C ATOM 1205 CG ASP A 80 11.795 -7.216 1.245 1.00 0.00 C ATOM 1206 OD1 ASP A 80 10.672 -7.608 1.644 1.00 0.00 O ATOM 1207 OD2 ASP A 80 11.941 -6.578 0.176 1.00 0.00 O ATOM 0 H ASP A 80 11.259 -8.035 3.710 1.00 0.00 H new ATOM 0 HA ASP A 80 13.964 -7.195 4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.929 -7.215 1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.123 -8.646 2.162 1.00 0.00 H new ATOM 1212 N LYS A 81 11.839 -4.795 3.590 1.00 0.00 N ATOM 1213 CA LYS A 81 11.649 -3.352 3.824 1.00 0.00 C ATOM 1214 C LYS A 81 10.236 -3.026 4.320 1.00 0.00 C ATOM 1215 O LYS A 81 9.328 -3.849 4.187 1.00 0.00 O ATOM 1216 CB LYS A 81 11.962 -2.532 2.551 1.00 0.00 C ATOM 1217 CG LYS A 81 11.157 -2.968 1.322 1.00 0.00 C ATOM 1218 CD LYS A 81 11.209 -1.934 0.182 1.00 0.00 C ATOM 1219 CE LYS A 81 9.807 -1.675 -0.384 1.00 0.00 C ATOM 1220 NZ LYS A 81 9.840 -0.716 -1.520 1.00 0.00 N ATOM 0 H LYS A 81 10.955 -5.303 3.554 1.00 0.00 H new ATOM 0 HA LYS A 81 12.352 -3.071 4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.762 -1.479 2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.025 -2.618 2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.541 -3.922 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.119 -3.132 1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.635 -1.001 0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.865 -2.293 -0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.369 -2.616 -0.715 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.163 -1.284 0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.874 -0.566 -1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.235 0.191 -1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.434 -1.101 -2.282 1.00 0.00 H new ATOM 1234 N ASN A 82 10.033 -1.815 4.837 1.00 0.00 N ATOM 1235 CA ASN A 82 8.707 -1.239 5.094 1.00 0.00 C ATOM 1236 C ASN A 82 8.641 0.238 4.671 1.00 0.00 C ATOM 1237 O ASN A 82 9.680 0.892 4.538 1.00 0.00 O ATOM 1238 CB ASN A 82 8.355 -1.406 6.590 1.00 0.00 C ATOM 1239 CG ASN A 82 6.859 -1.371 6.879 1.00 0.00 C ATOM 1240 OD1 ASN A 82 6.017 -1.411 5.995 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.484 -1.313 8.134 1.00 0.00 N ATOM 0 H ASN A 82 10.798 -1.192 5.095 1.00 0.00 H new ATOM 0 HA ASN A 82 7.972 -1.774 4.492 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.762 -2.353 6.946 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.844 -0.615 7.159 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.492 -1.301 8.370 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.185 -1.280 8.875 1.00 0.00 H new ATOM 1248 N THR A 83 7.423 0.769 4.539 1.00 0.00 N ATOM 1249 CA THR A 83 7.140 2.180 4.240 1.00 0.00 C ATOM 1250 C THR A 83 6.158 2.744 5.264 1.00 0.00 C ATOM 1251 O THR A 83 4.938 2.634 5.096 1.00 0.00 O ATOM 1252 CB THR A 83 6.599 2.366 2.813 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.450 1.749 1.868 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.518 3.855 2.477 1.00 0.00 C ATOM 0 H THR A 83 6.575 0.211 4.640 1.00 0.00 H new ATOM 0 HA THR A 83 8.079 2.730 4.303 1.00 0.00 H new ATOM 0 HB THR A 83 5.610 1.909 2.769 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.086 1.878 0.967 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.134 3.979 1.464 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.851 4.351 3.182 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.512 4.298 2.545 1.00 0.00 H new ATOM 1262 N PHE A 84 6.683 3.334 6.339 1.00 0.00 N ATOM 1263 CA PHE A 84 5.890 4.008 7.364 1.00 0.00 C ATOM 1264 C PHE A 84 5.419 5.380 6.874 1.00 0.00 C ATOM 1265 O PHE A 84 6.226 6.242 6.509 1.00 0.00 O ATOM 1266 CB PHE A 84 6.651 4.141 8.684 1.00 0.00 C ATOM 1267 CG PHE A 84 7.083 2.837 9.314 1.00 0.00 C ATOM 1268 CD1 PHE A 84 6.126 1.965 9.870 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.450 2.512 9.366 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.545 0.792 10.519 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.857 1.298 9.947 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.912 0.455 10.559 1.00 0.00 C ATOM 0 H PHE A 84 7.686 3.356 6.523 1.00 0.00 H new ATOM 0 HA PHE A 84 5.015 3.386 7.553 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.536 4.754 8.514 1.00 0.00 H new ATOM 0 HB3 PHE A 84 6.023 4.678 9.394 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.074 2.198 9.797 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.185 3.192 8.961 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.817 0.147 10.989 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.898 1.012 9.923 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.233 -0.447 11.058 1.00 0.00 H new ATOM 1282 N ILE A 85 4.104 5.581 6.884 1.00 0.00 N ATOM 1283 CA ILE A 85 3.445 6.854 6.578 1.00 0.00 C ATOM 1284 C ILE A 85 3.084 7.527 7.908 1.00 0.00 C ATOM 1285 O ILE A 85 2.292 6.979 8.676 1.00 0.00 O ATOM 1286 CB ILE A 85 2.198 6.594 5.702 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.587 5.951 4.350 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.390 7.877 5.455 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.373 5.402 3.597 1.00 0.00 C ATOM 0 H ILE A 85 3.443 4.839 7.113 1.00 0.00 H new ATOM 0 HA ILE A 85 4.101 7.516 6.014 1.00 0.00 H new ATOM 0 HB ILE A 85 1.568 5.898 6.256 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.092 6.692 3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.298 5.144 4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.523 7.647 4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.056 8.286 6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.017 8.609 4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.698 4.961 2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.882 4.641 4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.673 6.213 3.396 1.00 0.00 H new ATOM 1301 N TYR A 86 3.666 8.693 8.205 1.00 0.00 N ATOM 1302 CA TYR A 86 3.229 9.528 9.324 1.00 0.00 C ATOM 1303 C TYR A 86 2.132 10.509 8.870 1.00 0.00 C ATOM 1304 O TYR A 86 2.411 11.644 8.471 1.00 0.00 O ATOM 1305 CB TYR A 86 4.443 10.199 9.985 1.00 0.00 C ATOM 1306 CG TYR A 86 4.181 11.120 11.171 1.00 0.00 C ATOM 1307 CD1 TYR A 86 2.968 11.084 11.894 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.179 12.041 11.545 1.00 0.00 C ATOM 1309 CE1 TYR A 86 2.740 11.998 12.941 1.00 0.00 C ATOM 1310 CE2 TYR A 86 4.963 12.940 12.608 1.00 0.00 C ATOM 1311 CZ TYR A 86 3.738 12.928 13.305 1.00 0.00 C ATOM 1312 OH TYR A 86 3.526 13.807 14.323 1.00 0.00 O ATOM 0 H TYR A 86 4.449 9.081 7.679 1.00 0.00 H new ATOM 0 HA TYR A 86 2.768 8.912 10.096 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.124 9.414 10.313 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.966 10.775 9.221 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.213 10.353 11.643 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.118 12.058 11.012 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.797 11.987 13.468 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.737 13.639 12.889 1.00 0.00 H new ATOM 0 HH TYR A 86 4.318 14.372 14.438 1.00 0.00 H new ATOM 1322 N SER A 87 0.875 10.058 8.920 1.00 0.00 N ATOM 1323 CA SER A 87 -0.329 10.880 8.714 1.00 0.00 C ATOM 1324 C SER A 87 -1.536 10.375 9.525 1.00 0.00 C ATOM 1325 O SER A 87 -1.536 9.256 10.051 1.00 0.00 O ATOM 1326 CB SER A 87 -0.685 10.938 7.221 1.00 0.00 C ATOM 1327 OG SER A 87 -1.091 9.669 6.746 1.00 0.00 O ATOM 0 H SER A 87 0.657 9.080 9.111 1.00 0.00 H new ATOM 0 HA SER A 87 -0.095 11.882 9.074 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.484 11.662 7.062 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.177 11.285 6.651 1.00 0.00 H new ATOM 0 HG SER A 87 -1.314 9.732 5.794 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.585 11.205 9.627 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.901 10.831 10.175 1.00 0.00 C ATOM 1335 C ARG A 88 -4.691 9.954 9.194 1.00 0.00 C ATOM 1336 O ARG A 88 -4.413 9.992 7.996 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.684 12.112 10.524 1.00 0.00 C ATOM 1338 CG ARG A 88 -4.279 12.605 11.919 1.00 0.00 C ATOM 1339 CD ARG A 88 -5.081 13.844 12.340 1.00 0.00 C ATOM 1340 NE ARG A 88 -5.243 13.920 13.807 1.00 0.00 N ATOM 1341 CZ ARG A 88 -4.343 14.230 14.724 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -3.125 14.575 14.416 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -4.658 14.196 15.986 1.00 0.00 N ATOM 0 H ARG A 88 -2.543 12.178 9.324 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.752 10.240 11.078 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.483 12.885 9.783 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.755 11.913 10.495 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.434 11.807 12.646 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.215 12.841 11.927 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.577 14.742 11.983 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.063 13.820 11.867 1.00 0.00 H new ATOM 0 HE ARG A 88 -6.175 13.704 14.160 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.838 14.613 13.438 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.459 14.807 15.153 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.601 13.930 16.269 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.962 14.436 16.692 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.725 9.223 9.648 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.550 8.400 8.762 1.00 0.00 C ATOM 1359 C PRO A 89 -7.425 9.200 7.781 1.00 0.00 C ATOM 1360 O PRO A 89 -7.793 8.671 6.735 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.396 7.527 9.693 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.458 8.313 10.999 1.00 0.00 C ATOM 1363 CD PRO A 89 -6.109 9.024 11.040 1.00 0.00 C ATOM 0 HA PRO A 89 -5.911 7.813 8.102 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.392 7.358 9.283 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.942 6.547 9.840 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.287 9.021 11.004 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.594 7.656 11.858 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.184 9.976 11.565 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.367 8.426 11.569 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.739 10.468 8.060 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.594 11.315 7.210 1.00 0.00 C ATOM 1373 C GLU A 90 -7.980 11.575 5.819 1.00 0.00 C ATOM 1374 O GLU A 90 -8.601 11.181 4.829 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.967 12.625 7.933 1.00 0.00 C ATOM 1376 CG GLU A 90 -10.216 12.491 8.817 1.00 0.00 C ATOM 1377 CD GLU A 90 -10.048 11.455 9.945 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -9.272 11.716 10.896 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -10.702 10.385 9.886 1.00 0.00 O ATOM 0 H GLU A 90 -7.403 10.947 8.896 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.515 10.761 7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.126 12.945 8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.136 13.407 7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.450 13.461 9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.066 12.208 8.195 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.764 12.156 5.692 1.00 0.00 N ATOM 1387 CA PRO A 91 -6.121 12.399 4.392 1.00 0.00 C ATOM 1388 C PRO A 91 -5.692 11.132 3.634 1.00 0.00 C ATOM 1389 O PRO A 91 -5.163 11.239 2.529 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.910 13.289 4.691 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.567 12.976 6.144 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.929 12.682 6.766 1.00 0.00 C ATOM 0 HA PRO A 91 -6.843 12.866 3.722 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.076 13.063 4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.148 14.344 4.556 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.894 12.122 6.224 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.074 13.817 6.632 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.838 11.960 7.577 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.366 13.586 7.191 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.919 9.946 4.203 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.686 8.628 3.596 1.00 0.00 C ATOM 1402 C VAL A 92 -7.014 8.046 3.099 1.00 0.00 C ATOM 1403 O VAL A 92 -7.157 7.748 1.915 1.00 0.00 O ATOM 1404 CB VAL A 92 -4.979 7.691 4.599 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.545 6.383 3.929 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.724 8.317 5.227 1.00 0.00 C ATOM 0 H VAL A 92 -6.290 9.872 5.150 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.025 8.733 2.735 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.718 7.506 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.050 5.745 4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.421 5.869 3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.855 6.603 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.273 7.609 5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.008 8.561 4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.000 9.226 5.762 1.00 0.00 H new ATOM 1416 N LYS A 93 -8.024 7.925 3.969 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.343 7.374 3.621 1.00 0.00 C ATOM 1418 C LYS A 93 -10.114 8.250 2.626 1.00 0.00 C ATOM 1419 O LYS A 93 -10.669 7.741 1.654 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.183 7.115 4.888 1.00 0.00 C ATOM 1421 CG LYS A 93 -11.019 5.830 4.738 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.346 5.805 5.514 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.193 5.770 7.038 1.00 0.00 C ATOM 1424 NZ LYS A 93 -12.089 7.114 7.664 1.00 0.00 N ATOM 0 H LYS A 93 -7.949 8.210 4.946 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.159 6.423 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.526 7.028 5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.842 7.963 5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.235 5.680 3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.413 4.984 5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.928 6.685 5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.919 4.933 5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.047 5.245 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.304 5.192 7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.056 7.013 8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.222 7.584 7.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.916 7.686 7.398 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.138 9.565 2.857 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.942 10.531 2.104 1.00 0.00 C ATOM 1440 C ALA A 94 -10.393 10.866 0.704 1.00 0.00 C ATOM 1441 O ALA A 94 -11.035 11.609 -0.044 1.00 0.00 O ATOM 1442 CB ALA A 94 -11.088 11.803 2.939 1.00 0.00 C ATOM 0 H ALA A 94 -9.583 9.999 3.594 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.910 10.064 1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.685 12.532 2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.582 11.565 3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -10.102 12.220 3.142 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.232 10.313 0.324 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.710 10.374 -1.053 1.00 0.00 C ATOM 1450 C ILE A 95 -9.766 9.858 -2.054 1.00 0.00 C ATOM 1451 O ILE A 95 -9.911 10.418 -3.144 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.380 9.592 -1.195 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.311 10.068 -0.188 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.803 9.745 -2.614 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -5.077 9.156 -0.116 1.00 0.00 C ATOM 0 H ILE A 95 -8.623 9.807 0.967 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.497 11.418 -1.283 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.619 8.548 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.992 11.074 -0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.762 10.133 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.869 9.187 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.517 9.357 -3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.613 10.799 -2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.371 9.556 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.382 8.154 0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.601 9.110 -1.095 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.551 8.846 -1.660 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.679 8.321 -2.429 1.00 0.00 C ATOM 1469 C CYS A 96 -13.047 8.635 -1.793 1.00 0.00 C ATOM 1470 O CYS A 96 -13.155 8.901 -0.592 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.475 6.817 -2.618 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.513 5.800 -1.124 1.00 0.00 S ATOM 0 H CYS A 96 -10.412 8.360 -0.774 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.699 8.821 -3.397 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.245 6.452 -3.298 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.515 6.663 -3.111 1.00 0.00 H new ATOM 1477 N LYS A 97 -14.104 8.581 -2.617 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.510 8.832 -2.247 1.00 0.00 C ATOM 1479 C LYS A 97 -16.446 8.133 -3.239 1.00 0.00 C ATOM 1480 O LYS A 97 -16.592 8.576 -4.378 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.746 10.358 -2.158 1.00 0.00 C ATOM 1482 CG LYS A 97 -17.057 10.766 -1.459 1.00 0.00 C ATOM 1483 CD LYS A 97 -18.270 10.866 -2.397 1.00 0.00 C ATOM 1484 CE LYS A 97 -19.478 11.405 -1.620 1.00 0.00 C ATOM 1485 NZ LYS A 97 -20.649 11.632 -2.507 1.00 0.00 N ATOM 0 H LYS A 97 -14.000 8.351 -3.605 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.731 8.411 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.910 10.811 -1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.744 10.772 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.278 10.042 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.910 11.729 -0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.041 11.524 -3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.501 9.886 -2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.749 10.700 -0.834 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.207 12.340 -1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -21.445 11.996 -1.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -20.399 12.324 -3.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -20.924 10.735 -2.956 1.00 0.00 H new ATOM 1499 N GLY A 98 -17.025 7.001 -2.833 1.00 0.00 N ATOM 1500 CA GLY A 98 -17.936 6.186 -3.655 1.00 0.00 C ATOM 1501 C GLY A 98 -17.246 5.139 -4.544 1.00 0.00 C ATOM 1502 O GLY A 98 -17.919 4.455 -5.314 1.00 0.00 O ATOM 0 H GLY A 98 -16.873 6.612 -1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.638 5.675 -2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.522 6.851 -4.290 1.00 0.00 H new ATOM 1506 N ILE A 99 -15.917 4.997 -4.455 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.119 4.064 -5.269 1.00 0.00 C ATOM 1508 C ILE A 99 -15.289 2.615 -4.783 1.00 0.00 C ATOM 1509 O ILE A 99 -14.900 2.265 -3.666 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.633 4.498 -5.327 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.523 5.908 -5.962 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -12.818 3.468 -6.134 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.094 6.433 -6.164 1.00 0.00 C ATOM 0 H ILE A 99 -15.352 5.539 -3.801 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.496 4.099 -6.291 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.227 4.542 -4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.025 5.892 -6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.065 6.614 -5.333 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -11.774 3.779 -6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -12.889 2.492 -5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.214 3.404 -7.148 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.131 7.425 -6.614 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.588 6.490 -5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.548 5.757 -6.821 1.00 0.00 H new ATOM 1525 N ILE A 100 -15.850 1.766 -5.647 1.00 0.00 N ATOM 1526 CA ILE A 100 -15.995 0.303 -5.476 1.00 0.00 C ATOM 1527 C ILE A 100 -15.073 -0.467 -6.456 1.00 0.00 C ATOM 1528 O ILE A 100 -14.801 -1.653 -6.280 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.490 -0.112 -5.615 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.432 0.881 -4.886 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -17.726 -1.520 -5.043 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -19.922 0.514 -4.859 1.00 0.00 C ATOM 0 H ILE A 100 -16.238 2.089 -6.533 1.00 0.00 H new ATOM 0 HA ILE A 100 -15.674 0.032 -4.470 1.00 0.00 H new ATOM 0 HB ILE A 100 -17.718 -0.102 -6.681 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -18.087 0.986 -3.857 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.329 1.858 -5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -18.777 -1.786 -5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.112 -2.240 -5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.456 -1.534 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.477 1.284 -4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.297 0.441 -5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -20.052 -0.444 -4.356 1.00 0.00 H new ATOM 1544 N ALA A 101 -14.521 0.225 -7.459 1.00 0.00 N ATOM 1545 CA ALA A 101 -13.785 -0.310 -8.613 1.00 0.00 C ATOM 1546 C ALA A 101 -12.373 -0.879 -8.323 1.00 0.00 C ATOM 1547 O ALA A 101 -11.681 -1.288 -9.260 1.00 0.00 O ATOM 1548 CB ALA A 101 -13.713 0.819 -9.654 1.00 0.00 C ATOM 0 H ALA A 101 -14.580 1.243 -7.489 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.332 -1.184 -8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.173 0.469 -10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -14.722 1.114 -9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.193 1.676 -9.226 1.00 0.00 H new ATOM 1554 N SER A 102 -11.925 -0.905 -7.061 1.00 0.00 N ATOM 1555 CA SER A 102 -10.547 -1.216 -6.642 1.00 0.00 C ATOM 1556 C SER A 102 -9.495 -0.358 -7.383 1.00 0.00 C ATOM 1557 O SER A 102 -8.711 -0.848 -8.203 1.00 0.00 O ATOM 1558 CB SER A 102 -10.282 -2.728 -6.722 1.00 0.00 C ATOM 1559 OG SER A 102 -9.177 -3.085 -5.907 1.00 0.00 O ATOM 0 H SER A 102 -12.536 -0.702 -6.270 1.00 0.00 H new ATOM 0 HA SER A 102 -10.441 -0.936 -5.594 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.169 -3.275 -6.402 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.086 -3.014 -7.755 1.00 0.00 H new ATOM 0 HG SER A 102 -9.496 -3.574 -5.120 1.00 0.00 H new ATOM 1565 N LYS A 103 -9.493 0.957 -7.103 1.00 0.00 N ATOM 1566 CA LYS A 103 -8.552 1.972 -7.631 1.00 0.00 C ATOM 1567 C LYS A 103 -8.448 3.169 -6.678 1.00 0.00 C ATOM 1568 O LYS A 103 -9.360 3.412 -5.897 1.00 0.00 O ATOM 1569 CB LYS A 103 -9.034 2.401 -9.033 1.00 0.00 C ATOM 1570 CG LYS A 103 -8.043 3.324 -9.766 1.00 0.00 C ATOM 1571 CD LYS A 103 -8.369 3.533 -11.252 1.00 0.00 C ATOM 1572 CE LYS A 103 -8.078 2.279 -12.089 1.00 0.00 C ATOM 1573 NZ LYS A 103 -8.268 2.536 -13.541 1.00 0.00 N ATOM 0 H LYS A 103 -10.181 1.366 -6.471 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.551 1.547 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.205 1.511 -9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.992 2.911 -8.939 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.028 4.293 -9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.040 2.906 -9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.420 3.803 -11.358 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.785 4.369 -11.637 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.055 1.949 -11.908 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.735 1.469 -11.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.063 1.668 -14.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.251 2.827 -13.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.623 3.292 -13.847 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.358 3.932 -6.710 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.288 5.278 -6.134 1.00 0.00 C ATOM 1589 C ASN A 104 -6.474 6.237 -7.024 1.00 0.00 C ATOM 1590 O ASN A 104 -6.069 5.884 -8.135 1.00 0.00 O ATOM 1591 CB ASN A 104 -6.696 5.184 -4.715 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.352 6.120 -3.714 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -8.032 7.070 -4.060 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.155 5.871 -2.442 1.00 0.00 N ATOM 0 H ASN A 104 -6.485 3.631 -7.142 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.294 5.693 -6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.794 4.159 -4.358 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.630 5.405 -4.761 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.572 6.475 -1.734 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.584 5.074 -2.161 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.206 7.441 -6.517 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.320 8.445 -7.119 1.00 0.00 C ATOM 1603 C VAL A 105 -4.242 8.814 -6.098 1.00 0.00 C ATOM 1604 O VAL A 105 -4.529 8.940 -4.907 1.00 0.00 O ATOM 1605 CB VAL A 105 -6.127 9.686 -7.564 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -5.259 10.686 -8.339 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -7.307 9.316 -8.477 1.00 0.00 C ATOM 0 H VAL A 105 -6.616 7.759 -5.639 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.844 8.038 -8.011 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.492 10.133 -6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.865 11.543 -8.633 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.438 11.022 -7.706 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.856 10.204 -9.230 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.843 10.221 -8.763 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.933 8.818 -9.371 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.983 8.647 -7.945 1.00 0.00 H new ATOM 1617 N LEU A 106 -2.999 8.985 -6.553 1.00 0.00 N ATOM 1618 CA LEU A 106 -1.891 9.532 -5.764 1.00 0.00 C ATOM 1619 C LEU A 106 -2.291 10.832 -5.034 1.00 0.00 C ATOM 1620 O LEU A 106 -2.983 11.684 -5.599 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.703 9.766 -6.726 1.00 0.00 C ATOM 1622 CG LEU A 106 0.593 10.295 -6.088 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.263 9.219 -5.245 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.565 10.751 -7.173 1.00 0.00 C ATOM 0 H LEU A 106 -2.727 8.741 -7.505 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.610 8.826 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.478 8.825 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -1.019 10.471 -7.495 1.00 0.00 H new ATOM 0 HG LEU A 106 0.330 11.137 -5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.177 9.618 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.586 8.904 -4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.507 8.363 -5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.479 11.123 -6.710 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.805 9.910 -7.824 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.107 11.546 -7.762 1.00 0.00 H new ATOM 1636 N THR A 107 -1.836 10.999 -3.789 1.00 0.00 N ATOM 1637 CA THR A 107 -2.029 12.245 -3.012 1.00 0.00 C ATOM 1638 C THR A 107 -1.374 13.479 -3.662 1.00 0.00 C ATOM 1639 O THR A 107 -0.642 13.376 -4.647 1.00 0.00 O ATOM 1640 CB THR A 107 -1.528 12.120 -1.555 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.823 10.932 -1.301 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.690 12.157 -0.565 1.00 0.00 C ATOM 0 H THR A 107 -1.322 10.278 -3.283 1.00 0.00 H new ATOM 0 HA THR A 107 -3.109 12.394 -3.007 1.00 0.00 H new ATOM 0 HB THR A 107 -0.859 12.970 -1.425 1.00 0.00 H new ATOM 0 HG1 THR A 107 -1.264 10.438 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.305 12.067 0.451 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.226 13.101 -0.668 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.369 11.330 -0.770 1.00 0.00 H new ATOM 1650 N THR A 108 -1.607 14.665 -3.085 1.00 0.00 N ATOM 1651 CA THR A 108 -1.045 15.956 -3.548 1.00 0.00 C ATOM 1652 C THR A 108 -0.224 16.705 -2.483 1.00 0.00 C ATOM 1653 O THR A 108 0.638 17.514 -2.833 1.00 0.00 O ATOM 1654 CB THR A 108 -2.165 16.833 -4.141 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.633 17.907 -4.891 1.00 0.00 O ATOM 1656 CG2 THR A 108 -3.137 17.407 -3.106 1.00 0.00 C ATOM 0 H THR A 108 -2.204 14.764 -2.264 1.00 0.00 H new ATOM 0 HA THR A 108 -0.322 15.723 -4.330 1.00 0.00 H new ATOM 0 HB THR A 108 -2.729 16.152 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.366 18.445 -5.256 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.891 18.010 -3.611 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.623 16.591 -2.572 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.589 18.029 -2.398 1.00 0.00 H new ATOM 1664 N SER A 109 -0.438 16.410 -1.195 1.00 0.00 N ATOM 1665 CA SER A 109 0.315 16.971 -0.056 1.00 0.00 C ATOM 1666 C SER A 109 1.590 16.168 0.234 1.00 0.00 C ATOM 1667 O SER A 109 1.806 15.100 -0.334 1.00 0.00 O ATOM 1668 CB SER A 109 -0.576 17.006 1.196 1.00 0.00 C ATOM 1669 OG SER A 109 -1.657 17.909 1.016 1.00 0.00 O ATOM 0 H SER A 109 -1.162 15.754 -0.903 1.00 0.00 H new ATOM 0 HA SER A 109 0.613 17.985 -0.323 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.960 16.007 1.403 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.015 17.306 2.061 1.00 0.00 H new ATOM 0 HG SER A 109 -2.214 17.917 1.822 1.00 0.00 H new ATOM 1675 N GLU A 110 2.450 16.665 1.122 1.00 0.00 N ATOM 1676 CA GLU A 110 3.743 16.048 1.452 1.00 0.00 C ATOM 1677 C GLU A 110 3.811 15.657 2.936 1.00 0.00 C ATOM 1678 O GLU A 110 3.843 16.516 3.821 1.00 0.00 O ATOM 1679 CB GLU A 110 4.906 16.954 1.014 1.00 0.00 C ATOM 1680 CG GLU A 110 4.763 17.414 -0.446 1.00 0.00 C ATOM 1681 CD GLU A 110 6.061 18.012 -1.020 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.645 18.938 -0.405 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.478 17.583 -2.124 1.00 0.00 O ATOM 0 H GLU A 110 2.269 17.523 1.644 1.00 0.00 H new ATOM 0 HA GLU A 110 3.840 15.119 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.950 17.827 1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.848 16.418 1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.458 16.566 -1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.968 18.157 -0.511 1.00 0.00 H new ATOM 1690 N PHE A 111 3.793 14.349 3.205 1.00 0.00 N ATOM 1691 CA PHE A 111 3.723 13.743 4.541 1.00 0.00 C ATOM 1692 C PHE A 111 5.091 13.178 4.941 1.00 0.00 C ATOM 1693 O PHE A 111 5.922 12.901 4.072 1.00 0.00 O ATOM 1694 CB PHE A 111 2.673 12.616 4.540 1.00 0.00 C ATOM 1695 CG PHE A 111 1.365 12.955 3.848 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.271 12.813 2.452 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.240 13.382 4.580 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.076 13.109 1.784 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.965 13.669 3.911 1.00 0.00 C ATOM 1700 CZ PHE A 111 -1.044 13.532 2.512 1.00 0.00 C ATOM 0 H PHE A 111 3.828 13.649 2.464 1.00 0.00 H new ATOM 0 HA PHE A 111 3.436 14.507 5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.105 11.739 4.058 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.459 12.339 5.572 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.128 12.473 1.890 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.302 13.489 5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.018 13.011 0.710 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.829 13.994 4.471 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.969 13.753 2.000 1.00 0.00 H new ATOM 1710 N TYR A 112 5.327 12.966 6.239 1.00 0.00 N ATOM 1711 CA TYR A 112 6.584 12.390 6.725 1.00 0.00 C ATOM 1712 C TYR A 112 6.694 10.916 6.305 1.00 0.00 C ATOM 1713 O TYR A 112 5.958 10.054 6.798 1.00 0.00 O ATOM 1714 CB TYR A 112 6.725 12.584 8.242 1.00 0.00 C ATOM 1715 CG TYR A 112 7.786 13.595 8.629 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.561 14.970 8.422 1.00 0.00 C ATOM 1717 CD2 TYR A 112 9.003 13.156 9.185 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.550 15.909 8.775 1.00 0.00 C ATOM 1719 CE2 TYR A 112 9.994 14.091 9.543 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.770 15.471 9.339 1.00 0.00 C ATOM 1721 OH TYR A 112 10.733 16.369 9.687 1.00 0.00 O ATOM 0 H TYR A 112 4.658 13.187 6.977 1.00 0.00 H new ATOM 0 HA TYR A 112 7.419 12.919 6.265 1.00 0.00 H new ATOM 0 HB2 TYR A 112 5.766 12.903 8.650 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.964 11.625 8.702 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.629 15.305 7.992 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.177 12.101 9.337 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.376 16.963 8.615 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.925 13.753 9.973 1.00 0.00 H new ATOM 0 HH TYR A 112 11.504 15.893 10.060 1.00 0.00 H new ATOM 1731 N LEU A 113 7.594 10.643 5.360 1.00 0.00 N ATOM 1732 CA LEU A 113 7.845 9.322 4.788 1.00 0.00 C ATOM 1733 C LEU A 113 9.081 8.671 5.418 1.00 0.00 C ATOM 1734 O LEU A 113 10.193 9.204 5.372 1.00 0.00 O ATOM 1735 CB LEU A 113 7.961 9.433 3.255 1.00 0.00 C ATOM 1736 CG LEU A 113 6.820 8.760 2.474 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.850 7.239 2.629 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.432 9.278 2.845 1.00 0.00 C ATOM 0 H LEU A 113 8.191 11.365 4.957 1.00 0.00 H new ATOM 0 HA LEU A 113 7.003 8.668 5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.997 10.488 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.907 8.991 2.943 1.00 0.00 H new ATOM 0 HG LEU A 113 7.000 9.026 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 113 6.029 6.799 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.798 6.854 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.745 6.978 3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.679 8.757 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.248 9.100 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.377 10.347 2.642 1.00 0.00 H new ATOM 1750 N SER A 114 8.869 7.501 6.014 1.00 0.00 N ATOM 1751 CA SER A 114 9.868 6.751 6.773 1.00 0.00 C ATOM 1752 C SER A 114 10.004 5.329 6.230 1.00 0.00 C ATOM 1753 O SER A 114 9.300 4.401 6.623 1.00 0.00 O ATOM 1754 CB SER A 114 9.534 6.815 8.263 1.00 0.00 C ATOM 1755 OG SER A 114 10.429 6.011 9.012 1.00 0.00 O ATOM 0 H SER A 114 7.964 7.031 5.981 1.00 0.00 H new ATOM 0 HA SER A 114 10.851 7.205 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.588 7.847 8.609 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.511 6.477 8.426 1.00 0.00 H new ATOM 0 HG SER A 114 9.974 5.673 9.812 1.00 0.00 H new ATOM 1761 N ASP A 115 10.913 5.156 5.275 1.00 0.00 N ATOM 1762 CA ASP A 115 11.319 3.845 4.775 1.00 0.00 C ATOM 1763 C ASP A 115 12.354 3.193 5.718 1.00 0.00 C ATOM 1764 O ASP A 115 13.050 3.871 6.476 1.00 0.00 O ATOM 1765 CB ASP A 115 11.937 4.013 3.380 1.00 0.00 C ATOM 1766 CG ASP A 115 10.992 4.649 2.346 1.00 0.00 C ATOM 1767 OD1 ASP A 115 10.928 5.900 2.273 1.00 0.00 O ATOM 1768 OD2 ASP A 115 10.365 3.897 1.566 1.00 0.00 O ATOM 0 H ASP A 115 11.395 5.932 4.820 1.00 0.00 H new ATOM 0 HA ASP A 115 10.442 3.200 4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.833 4.628 3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.253 3.036 3.015 1.00 0.00 H new ATOM 1773 N CYS A 116 12.529 1.876 5.622 1.00 0.00 N ATOM 1774 CA CYS A 116 13.749 1.182 6.049 1.00 0.00 C ATOM 1775 C CYS A 116 13.920 -0.061 5.178 1.00 0.00 C ATOM 1776 O CYS A 116 12.943 -0.769 4.938 1.00 0.00 O ATOM 1777 CB CYS A 116 13.696 0.831 7.547 1.00 0.00 C ATOM 1778 SG CYS A 116 14.920 1.736 8.538 1.00 0.00 S ATOM 0 H CYS A 116 11.820 1.250 5.241 1.00 0.00 H new ATOM 0 HA CYS A 116 14.613 1.834 5.921 1.00 0.00 H new ATOM 0 HB2 CYS A 116 12.698 1.046 7.929 1.00 0.00 H new ATOM 0 HB3 CYS A 116 13.860 -0.240 7.669 1.00 0.00 H new ATOM 1783 N ASN A 117 15.134 -0.310 4.683 1.00 0.00 N ATOM 1784 CA ASN A 117 15.455 -1.388 3.743 1.00 0.00 C ATOM 1785 C ASN A 117 16.597 -2.231 4.314 1.00 0.00 C ATOM 1786 O ASN A 117 17.505 -1.678 4.933 1.00 0.00 O ATOM 1787 CB ASN A 117 15.843 -0.778 2.379 1.00 0.00 C ATOM 1788 CG ASN A 117 14.665 -0.314 1.539 1.00 0.00 C ATOM 1789 OD1 ASN A 117 14.288 -0.946 0.565 1.00 0.00 O ATOM 1790 ND2 ASN A 117 14.063 0.808 1.861 1.00 0.00 N ATOM 0 H ASN A 117 15.948 0.251 4.933 1.00 0.00 H new ATOM 0 HA ASN A 117 14.588 -2.033 3.597 1.00 0.00 H new ATOM 0 HB2 ASN A 117 16.507 0.069 2.550 1.00 0.00 H new ATOM 0 HB3 ASN A 117 16.409 -1.517 1.812 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.283 1.148 1.298 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.375 1.339 2.674 1.00 0.00 H new ATOM 1797 N VAL A 118 16.556 -3.556 4.148 1.00 0.00 N ATOM 1798 CA VAL A 118 17.585 -4.461 4.707 1.00 0.00 C ATOM 1799 C VAL A 118 18.979 -4.199 4.102 1.00 0.00 C ATOM 1800 O VAL A 118 19.118 -3.793 2.944 1.00 0.00 O ATOM 1801 CB VAL A 118 17.136 -5.931 4.561 1.00 0.00 C ATOM 1802 CG1 VAL A 118 18.245 -6.980 4.720 1.00 0.00 C ATOM 1803 CG2 VAL A 118 16.080 -6.270 5.616 1.00 0.00 C ATOM 0 H VAL A 118 15.820 -4.035 3.629 1.00 0.00 H new ATOM 0 HA VAL A 118 17.686 -4.251 5.772 1.00 0.00 H new ATOM 0 HB VAL A 118 16.763 -5.985 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.822 -7.977 4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 118 19.012 -6.817 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.690 -6.892 5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.772 -7.309 5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.500 -6.123 6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.215 -5.619 5.487 1.00 0.00 H new ATOM 1813 N THR A 119 20.034 -4.434 4.891 1.00 0.00 N ATOM 1814 CA THR A 119 21.443 -4.321 4.473 1.00 0.00 C ATOM 1815 C THR A 119 22.304 -5.454 5.051 1.00 0.00 C ATOM 1816 O THR A 119 22.908 -5.346 6.121 1.00 0.00 O ATOM 1817 CB THR A 119 21.986 -2.900 4.723 1.00 0.00 C ATOM 1818 OG1 THR A 119 23.242 -2.721 4.109 1.00 0.00 O ATOM 1819 CG2 THR A 119 22.057 -2.428 6.173 1.00 0.00 C ATOM 0 H THR A 119 19.932 -4.716 5.866 1.00 0.00 H new ATOM 0 HA THR A 119 21.500 -4.462 3.394 1.00 0.00 H new ATOM 0 HB THR A 119 21.225 -2.269 4.265 1.00 0.00 H new ATOM 0 HG1 THR A 119 23.564 -1.811 4.281 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.456 -1.414 6.207 1.00 0.00 H new ATOM 0 HG22 THR A 119 21.058 -2.439 6.609 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.708 -3.093 6.741 1.00 0.00 H new ATOM 1827 N SER A 120 22.318 -6.579 4.330 1.00 0.00 N ATOM 1828 CA SER A 120 23.079 -7.810 4.634 1.00 0.00 C ATOM 1829 C SER A 120 24.594 -7.588 4.743 1.00 0.00 C ATOM 1830 O SER A 120 25.203 -8.110 5.704 1.00 0.00 O ATOM 1831 CB SER A 120 22.800 -8.881 3.577 1.00 0.00 C ATOM 1832 OG SER A 120 21.406 -9.153 3.536 1.00 0.00 O ATOM 1833 OXT SER A 120 25.179 -6.928 3.851 1.00 0.00 O ATOM 0 H SER A 120 21.773 -6.668 3.473 1.00 0.00 H new ATOM 0 HA SER A 120 22.734 -8.139 5.614 1.00 0.00 H new ATOM 0 HB2 SER A 120 23.144 -8.542 2.600 1.00 0.00 H new ATOM 0 HB3 SER A 120 23.352 -9.791 3.811 1.00 0.00 H new ATOM 0 HG SER A 120 21.226 -9.838 2.858 1.00 0.00 H new TER 1839 SER A 120