USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=33 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 43 THR OG1 : rot -120:sc=-0.00307 USER MOD Set 1.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 17 THR OG1 : rot 119:sc= 1.24 USER MOD Set 2.2: A 25 HIS : no HD1:sc= 2.28 K(o=3.5,f=-11!) USER MOD Set 3.1: A 9 LYS NZ :NH3+ 169:sc= 1.75 (180deg=0.583) USER MOD Set 3.2: A 114 SER OG : rot -150:sc= 0.749 USER MOD Single : A 1 ARG N :NH3+ -124:sc= 0.089 (180deg=-0.333) USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.13) USER MOD Single : A 5 TYR OH : rot -41:sc= 0.518 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.15 K(o=-1.1,f=-0.34) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.76 K(o=-0.76,f=-0.09) USER MOD Single : A 21 GLN : amide:sc= -0.036 X(o=-0.036,f=-0.04) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.025 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -171:sc= 0.0633 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00141 USER MOD Single : A 55 GLN : amide:sc= 0.519 K(o=0.52,f=-0.22) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= 1.38 K(o=2,f=-6.8!) USER MOD Single : A 60 THR OG1 : rot -148:sc= 1.12 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.734 K(o=-0.73,f=-0.017) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -46:sc= 0.156 USER MOD Single : A 73 THR OG1 : rot -46:sc= 1.38 USER MOD Single : A 74 ASN : amide:sc= -0.0229 X(o=-0.023,f=-0.023) USER MOD Single : A 77 HIS : no HE2:sc= 0.531 K(o=0.53,f=-1.9!) USER MOD Single : A 79 LYS NZ :NH3+ -127:sc= 0.403 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.724 K(o=0.72,f=-0.27) 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 -96:sc= 0.717 USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0191) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -2:sc= 0.659 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -2.58! X(o=-2.6!,f=-2.8) USER MOD Single : A 107 THR OG1 : rot 179:sc= 0.855 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=-0.00351 X(o=-0.0035,f=-0.36) 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 16.482 -6.789 18.279 1.00 0.00 N ATOM 2 CA ARG A 1 17.335 -6.490 17.091 1.00 0.00 C ATOM 3 C ARG A 1 17.160 -7.587 16.028 1.00 0.00 C ATOM 4 O ARG A 1 17.975 -8.511 15.966 1.00 0.00 O ATOM 5 CB ARG A 1 18.812 -6.255 17.500 1.00 0.00 C ATOM 6 CG ARG A 1 18.968 -5.067 18.472 1.00 0.00 C ATOM 7 CD ARG A 1 20.428 -4.831 18.872 1.00 0.00 C ATOM 8 NE ARG A 1 20.523 -3.754 19.877 1.00 0.00 N ATOM 9 CZ ARG A 1 21.463 -3.576 20.787 1.00 0.00 C ATOM 10 NH1 ARG A 1 22.503 -4.355 20.874 1.00 0.00 N ATOM 11 NH2 ARG A 1 21.372 -2.598 21.640 1.00 0.00 N ATOM 0 H1 ARG A 1 15.853 -5.982 18.467 1.00 0.00 H new ATOM 0 H2 ARG A 1 15.910 -7.637 18.091 1.00 0.00 H new ATOM 0 H3 ARG A 1 17.087 -6.956 19.108 1.00 0.00 H new ATOM 0 HA ARG A 1 17.007 -5.554 16.639 1.00 0.00 H new ATOM 0 HB2 ARG A 1 19.205 -7.158 17.967 1.00 0.00 H new ATOM 0 HB3 ARG A 1 19.409 -6.072 16.607 1.00 0.00 H new ATOM 0 HG2 ARG A 1 18.571 -4.165 18.007 1.00 0.00 H new ATOM 0 HG3 ARG A 1 18.374 -5.252 19.367 1.00 0.00 H new ATOM 0 HD2 ARG A 1 20.854 -5.750 19.275 1.00 0.00 H new ATOM 0 HD3 ARG A 1 21.014 -4.567 17.992 1.00 0.00 H new ATOM 0 HE ARG A 1 19.772 -3.064 19.867 1.00 0.00 H new ATOM 0 HH11 ARG A 1 22.612 -5.135 20.225 1.00 0.00 H new ATOM 0 HH12 ARG A 1 23.209 -4.186 21.591 1.00 0.00 H new ATOM 0 HH21 ARG A 1 20.572 -1.965 21.607 1.00 0.00 H new ATOM 0 HH22 ARG A 1 22.100 -2.464 22.342 1.00 0.00 H new ATOM 27 N PRO A 2 16.065 -7.557 15.229 1.00 0.00 N ATOM 28 CA PRO A 2 15.676 -8.702 14.391 1.00 0.00 C ATOM 29 C PRO A 2 16.519 -8.840 13.112 1.00 0.00 C ATOM 30 O PRO A 2 16.910 -9.944 12.729 1.00 0.00 O ATOM 31 CB PRO A 2 14.199 -8.462 14.062 1.00 0.00 C ATOM 32 CG PRO A 2 14.052 -6.940 14.081 1.00 0.00 C ATOM 33 CD PRO A 2 15.039 -6.509 15.168 1.00 0.00 C ATOM 0 HA PRO A 2 15.844 -9.640 14.920 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.936 -8.875 13.088 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.546 -8.934 14.796 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.299 -6.499 13.115 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.033 -6.636 14.319 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.483 -5.543 14.929 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.536 -6.400 16.129 1.00 0.00 H new ATOM 41 N CYS A 3 16.787 -7.711 12.458 1.00 0.00 N ATOM 42 CA CYS A 3 17.502 -7.562 11.187 1.00 0.00 C ATOM 43 C CYS A 3 18.325 -6.257 11.206 1.00 0.00 C ATOM 44 O CYS A 3 18.237 -5.475 12.158 1.00 0.00 O ATOM 45 CB CYS A 3 16.503 -7.558 10.005 1.00 0.00 C ATOM 46 SG CYS A 3 14.802 -8.104 10.337 1.00 0.00 S ATOM 0 H CYS A 3 16.489 -6.809 12.828 1.00 0.00 H new ATOM 0 HA CYS A 3 18.180 -8.406 11.056 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.458 -6.544 9.607 1.00 0.00 H new ATOM 0 HB3 CYS A 3 16.912 -8.192 9.218 1.00 0.00 H new ATOM 51 N LYS A 4 19.097 -5.990 10.145 1.00 0.00 N ATOM 52 CA LYS A 4 19.868 -4.749 9.952 1.00 0.00 C ATOM 53 C LYS A 4 19.345 -3.970 8.745 1.00 0.00 C ATOM 54 O LYS A 4 19.162 -4.541 7.669 1.00 0.00 O ATOM 55 CB LYS A 4 21.357 -5.092 9.779 1.00 0.00 C ATOM 56 CG LYS A 4 22.017 -5.858 10.942 1.00 0.00 C ATOM 57 CD LYS A 4 22.359 -5.009 12.181 1.00 0.00 C ATOM 58 CE LYS A 4 21.158 -4.765 13.109 1.00 0.00 C ATOM 59 NZ LYS A 4 21.518 -3.938 14.288 1.00 0.00 N ATOM 0 H LYS A 4 19.208 -6.648 9.374 1.00 0.00 H new ATOM 0 HA LYS A 4 19.751 -4.115 10.831 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.469 -5.684 8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 4 21.907 -4.164 9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.351 -6.665 11.248 1.00 0.00 H new ATOM 0 HG3 LYS A 4 22.933 -6.322 10.576 1.00 0.00 H new ATOM 0 HD2 LYS A 4 23.149 -5.506 12.745 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.757 -4.048 11.854 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.364 -4.271 12.550 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.762 -5.723 13.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 20.654 -3.672 14.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.141 -4.483 14.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 22.011 -3.079 13.972 1.00 0.00 H new ATOM 73 N TYR A 5 19.123 -2.668 8.925 1.00 0.00 N ATOM 74 CA TYR A 5 18.551 -1.754 7.928 1.00 0.00 C ATOM 75 C TYR A 5 19.306 -0.415 7.868 1.00 0.00 C ATOM 76 O TYR A 5 19.999 -0.024 8.811 1.00 0.00 O ATOM 77 CB TYR A 5 17.082 -1.471 8.275 1.00 0.00 C ATOM 78 CG TYR A 5 16.130 -2.654 8.354 1.00 0.00 C ATOM 79 CD1 TYR A 5 15.938 -3.335 9.574 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.353 -3.005 7.235 1.00 0.00 C ATOM 81 CE1 TYR A 5 14.948 -4.333 9.684 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.340 -3.973 7.351 1.00 0.00 C ATOM 83 CZ TYR A 5 14.145 -4.655 8.567 1.00 0.00 C ATOM 84 OH TYR A 5 13.211 -5.641 8.635 1.00 0.00 O ATOM 0 H TYR A 5 19.345 -2.199 9.803 1.00 0.00 H new ATOM 0 HA TYR A 5 18.637 -2.239 6.956 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.058 -0.958 9.236 1.00 0.00 H new ATOM 0 HB3 TYR A 5 16.691 -0.776 7.532 1.00 0.00 H new ATOM 0 HD1 TYR A 5 16.552 -3.091 10.428 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.535 -2.529 6.283 1.00 0.00 H new ATOM 0 HE1 TYR A 5 14.804 -4.851 10.621 1.00 0.00 H new ATOM 0 HE2 TYR A 5 13.709 -4.194 6.503 1.00 0.00 H new ATOM 0 HH TYR A 5 13.576 -6.404 9.130 1.00 0.00 H new ATOM 94 N LYS A 6 19.132 0.303 6.755 1.00 0.00 N ATOM 95 CA LYS A 6 19.726 1.616 6.455 1.00 0.00 C ATOM 96 C LYS A 6 18.813 2.774 6.878 1.00 0.00 C ATOM 97 O LYS A 6 17.590 2.628 6.933 1.00 0.00 O ATOM 98 CB LYS A 6 20.000 1.681 4.944 1.00 0.00 C ATOM 99 CG LYS A 6 21.015 0.613 4.489 1.00 0.00 C ATOM 100 CD LYS A 6 20.780 0.150 3.048 1.00 0.00 C ATOM 101 CE LYS A 6 20.979 1.291 2.039 1.00 0.00 C ATOM 102 NZ LYS A 6 20.880 0.806 0.636 1.00 0.00 N ATOM 0 H LYS A 6 18.541 -0.032 5.994 1.00 0.00 H new ATOM 0 HA LYS A 6 20.650 1.723 7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 6 19.065 1.546 4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 6 20.377 2.671 4.687 1.00 0.00 H new ATOM 0 HG2 LYS A 6 22.024 1.016 4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.956 -0.247 5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.464 -0.666 2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.768 -0.245 2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.230 2.064 2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.954 1.751 2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.019 1.603 -0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.611 0.086 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.940 0.389 0.478 1.00 0.00 H new ATOM 116 N LEU A 7 19.411 3.940 7.120 1.00 0.00 N ATOM 117 CA LEU A 7 18.737 5.179 7.530 1.00 0.00 C ATOM 118 C LEU A 7 18.240 5.978 6.311 1.00 0.00 C ATOM 119 O LEU A 7 19.036 6.563 5.571 1.00 0.00 O ATOM 120 CB LEU A 7 19.679 6.007 8.444 1.00 0.00 C ATOM 121 CG LEU A 7 19.126 6.339 9.844 1.00 0.00 C ATOM 122 CD1 LEU A 7 17.830 7.150 9.787 1.00 0.00 C ATOM 123 CD2 LEU A 7 18.903 5.082 10.689 1.00 0.00 C ATOM 0 H LEU A 7 20.421 4.056 7.033 1.00 0.00 H new ATOM 0 HA LEU A 7 17.847 4.929 8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.614 5.460 8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 7 19.919 6.941 7.937 1.00 0.00 H new ATOM 0 HG LEU A 7 19.892 6.951 10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.485 7.356 10.800 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.012 8.091 9.267 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.069 6.582 9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.513 5.365 11.667 1.00 0.00 H new ATOM 0 HD22 LEU A 7 18.188 4.429 10.188 1.00 0.00 H new ATOM 0 HD23 LEU A 7 19.849 4.555 10.815 1.00 0.00 H new ATOM 135 N LYS A 8 16.917 5.990 6.100 1.00 0.00 N ATOM 136 CA LYS A 8 16.226 6.711 5.017 1.00 0.00 C ATOM 137 C LYS A 8 14.967 7.418 5.540 1.00 0.00 C ATOM 138 O LYS A 8 14.026 6.772 6.005 1.00 0.00 O ATOM 139 CB LYS A 8 15.934 5.716 3.877 1.00 0.00 C ATOM 140 CG LYS A 8 15.229 6.331 2.655 1.00 0.00 C ATOM 141 CD LYS A 8 16.081 7.365 1.907 1.00 0.00 C ATOM 142 CE LYS A 8 15.318 7.855 0.670 1.00 0.00 C ATOM 143 NZ LYS A 8 16.105 8.848 -0.104 1.00 0.00 N ATOM 0 H LYS A 8 16.271 5.478 6.701 1.00 0.00 H new ATOM 0 HA LYS A 8 16.861 7.504 4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.874 5.270 3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.316 4.907 4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.954 5.533 1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.303 6.804 2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.311 8.205 2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.032 6.923 1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.076 7.005 0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.373 8.301 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.557 9.156 -0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.314 9.670 0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.996 8.415 -0.420 1.00 0.00 H new ATOM 157 N LYS A 9 14.968 8.752 5.501 1.00 0.00 N ATOM 158 CA LYS A 9 13.862 9.634 5.928 1.00 0.00 C ATOM 159 C LYS A 9 13.599 10.719 4.875 1.00 0.00 C ATOM 160 O LYS A 9 14.538 11.358 4.395 1.00 0.00 O ATOM 161 CB LYS A 9 14.176 10.253 7.310 1.00 0.00 C ATOM 162 CG LYS A 9 14.485 9.232 8.425 1.00 0.00 C ATOM 163 CD LYS A 9 13.272 8.383 8.848 1.00 0.00 C ATOM 164 CE LYS A 9 13.729 7.067 9.499 1.00 0.00 C ATOM 165 NZ LYS A 9 13.307 5.882 8.705 1.00 0.00 N ATOM 0 H LYS A 9 15.772 9.277 5.157 1.00 0.00 H new ATOM 0 HA LYS A 9 12.953 9.040 6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.028 10.924 7.206 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.327 10.862 7.620 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.280 8.568 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.865 9.765 9.297 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.655 8.946 9.548 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.652 8.168 7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.814 7.069 9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.316 6.996 10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.786 5.033 9.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.277 5.759 8.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.562 6.024 7.707 1.00 0.00 H new ATOM 179 N SER A 10 12.330 10.907 4.514 1.00 0.00 N ATOM 180 CA SER A 10 11.847 11.774 3.423 1.00 0.00 C ATOM 181 C SER A 10 10.502 12.434 3.777 1.00 0.00 C ATOM 182 O SER A 10 9.941 12.200 4.851 1.00 0.00 O ATOM 183 CB SER A 10 11.715 10.941 2.134 1.00 0.00 C ATOM 184 OG SER A 10 12.969 10.407 1.728 1.00 0.00 O ATOM 0 H SER A 10 11.565 10.436 4.997 1.00 0.00 H new ATOM 0 HA SER A 10 12.570 12.575 3.271 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.007 10.128 2.296 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.308 11.564 1.337 1.00 0.00 H new ATOM 0 HG SER A 10 12.851 9.883 0.909 1.00 0.00 H new ATOM 190 N THR A 11 9.954 13.276 2.891 1.00 0.00 N ATOM 191 CA THR A 11 8.658 13.941 3.108 1.00 0.00 C ATOM 192 C THR A 11 7.917 14.137 1.783 1.00 0.00 C ATOM 193 O THR A 11 8.273 15.023 1.004 1.00 0.00 O ATOM 194 CB THR A 11 8.803 15.293 3.836 1.00 0.00 C ATOM 195 OG1 THR A 11 9.717 15.238 4.915 1.00 0.00 O ATOM 196 CG2 THR A 11 7.454 15.706 4.422 1.00 0.00 C ATOM 0 H THR A 11 10.395 13.517 2.003 1.00 0.00 H new ATOM 0 HA THR A 11 8.075 13.283 3.752 1.00 0.00 H new ATOM 0 HB THR A 11 9.168 16.003 3.094 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.774 16.119 5.341 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.558 16.661 4.936 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.723 15.803 3.619 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.117 14.948 5.129 1.00 0.00 H new ATOM 204 N ASN A 12 6.919 13.292 1.496 1.00 0.00 N ATOM 205 CA ASN A 12 6.111 13.342 0.262 1.00 0.00 C ATOM 206 C ASN A 12 4.790 12.541 0.352 1.00 0.00 C ATOM 207 O ASN A 12 4.526 11.875 1.353 1.00 0.00 O ATOM 208 CB ASN A 12 6.966 12.954 -0.972 1.00 0.00 C ATOM 209 CG ASN A 12 7.299 11.490 -1.200 1.00 0.00 C ATOM 210 OD1 ASN A 12 7.263 11.007 -2.318 1.00 0.00 O ATOM 211 ND2 ASN A 12 7.712 10.747 -0.204 1.00 0.00 N ATOM 0 H ASN A 12 6.642 12.538 2.125 1.00 0.00 H new ATOM 0 HA ASN A 12 5.794 14.377 0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.448 13.317 -1.860 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.907 13.500 -0.907 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.996 9.782 -0.371 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.749 11.133 0.739 1.00 0.00 H new ATOM 218 N LYS A 13 3.952 12.653 -0.686 1.00 0.00 N ATOM 219 CA LYS A 13 2.706 11.900 -0.938 1.00 0.00 C ATOM 220 C LYS A 13 2.932 10.397 -1.139 1.00 0.00 C ATOM 221 O LYS A 13 4.054 9.946 -1.368 1.00 0.00 O ATOM 222 CB LYS A 13 1.972 12.491 -2.161 1.00 0.00 C ATOM 223 CG LYS A 13 2.843 12.899 -3.357 1.00 0.00 C ATOM 224 CD LYS A 13 3.114 14.412 -3.337 1.00 0.00 C ATOM 225 CE LYS A 13 4.049 14.828 -4.479 1.00 0.00 C ATOM 226 NZ LYS A 13 4.386 16.276 -4.410 1.00 0.00 N ATOM 0 H LYS A 13 4.137 13.323 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 13 2.093 12.005 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.242 11.759 -2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.414 13.367 -1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.787 12.355 -3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.345 12.625 -4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.172 14.953 -3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.558 14.691 -2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.964 14.238 -4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.575 14.609 -5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.020 16.523 -5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.514 16.839 -4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.860 16.479 -3.507 1.00 0.00 H new ATOM 240 N PHE A 14 1.848 9.629 -1.130 1.00 0.00 N ATOM 241 CA PHE A 14 1.834 8.167 -1.242 1.00 0.00 C ATOM 242 C PHE A 14 0.686 7.673 -2.132 1.00 0.00 C ATOM 243 O PHE A 14 -0.423 8.211 -2.109 1.00 0.00 O ATOM 244 CB PHE A 14 1.765 7.542 0.166 1.00 0.00 C ATOM 245 CG PHE A 14 0.705 8.149 1.076 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.645 7.759 0.969 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.064 9.150 1.999 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.633 8.404 1.737 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.077 9.781 2.776 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.275 9.435 2.623 1.00 0.00 C ATOM 0 H PHE A 14 0.911 10.022 -1.041 1.00 0.00 H new ATOM 0 HA PHE A 14 2.758 7.849 -1.725 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.572 6.474 0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.739 7.646 0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.923 6.962 0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.100 9.434 2.110 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.667 8.106 1.645 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.360 10.536 3.494 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.036 9.958 3.183 1.00 0.00 H new ATOM 260 N CYS A 15 0.954 6.654 -2.952 1.00 0.00 N ATOM 261 CA CYS A 15 -0.058 6.001 -3.783 1.00 0.00 C ATOM 262 C CYS A 15 -0.565 4.706 -3.137 1.00 0.00 C ATOM 263 O CYS A 15 0.189 3.927 -2.543 1.00 0.00 O ATOM 264 CB CYS A 15 0.478 5.723 -5.191 1.00 0.00 C ATOM 265 SG CYS A 15 -0.827 5.200 -6.343 1.00 0.00 S ATOM 0 H CYS A 15 1.887 6.256 -3.058 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.900 6.688 -3.866 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.960 6.622 -5.577 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.243 4.949 -5.138 1.00 0.00 H new ATOM 270 N VAL A 16 -1.860 4.464 -3.310 1.00 0.00 N ATOM 271 CA VAL A 16 -2.629 3.337 -2.741 1.00 0.00 C ATOM 272 C VAL A 16 -3.753 2.893 -3.694 1.00 0.00 C ATOM 273 O VAL A 16 -3.916 3.480 -4.764 1.00 0.00 O ATOM 274 CB VAL A 16 -3.212 3.717 -1.360 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.151 3.870 -0.270 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.023 5.012 -1.396 1.00 0.00 C ATOM 0 H VAL A 16 -2.443 5.076 -3.881 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.945 2.498 -2.612 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.860 2.875 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.632 4.137 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.615 2.929 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.448 4.654 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.407 5.228 -0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.385 5.832 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.856 4.900 -2.090 1.00 0.00 H new ATOM 286 N THR A 17 -4.565 1.897 -3.315 1.00 0.00 N ATOM 287 CA THR A 17 -5.750 1.460 -4.093 1.00 0.00 C ATOM 288 C THR A 17 -7.010 1.434 -3.221 1.00 0.00 C ATOM 289 O THR A 17 -7.046 0.706 -2.228 1.00 0.00 O ATOM 290 CB THR A 17 -5.523 0.071 -4.706 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.207 -0.067 -5.202 1.00 0.00 O ATOM 292 CG2 THR A 17 -6.459 -0.242 -5.858 1.00 0.00 C ATOM 0 H THR A 17 -4.424 1.364 -2.457 1.00 0.00 H new ATOM 0 HA THR A 17 -5.894 2.184 -4.895 1.00 0.00 H new ATOM 0 HB THR A 17 -5.715 -0.622 -3.886 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.754 -0.796 -4.730 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.242 -1.239 -6.242 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.491 -0.204 -5.509 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.317 0.492 -6.652 1.00 0.00 H new ATOM 300 N CYS A 18 -8.042 2.220 -3.567 1.00 0.00 N ATOM 301 CA CYS A 18 -9.341 2.199 -2.886 1.00 0.00 C ATOM 302 C CYS A 18 -10.261 1.134 -3.481 1.00 0.00 C ATOM 303 O CYS A 18 -10.429 1.035 -4.695 1.00 0.00 O ATOM 304 CB CYS A 18 -10.029 3.572 -2.917 1.00 0.00 C ATOM 305 SG CYS A 18 -9.713 4.603 -1.468 1.00 0.00 S ATOM 0 H CYS A 18 -7.995 2.892 -4.333 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.145 1.947 -1.844 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.701 4.109 -3.807 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.104 3.423 -3.013 1.00 0.00 H new ATOM 310 N GLU A 19 -10.894 0.361 -2.606 1.00 0.00 N ATOM 311 CA GLU A 19 -11.880 -0.660 -2.941 1.00 0.00 C ATOM 312 C GLU A 19 -13.022 -0.585 -1.922 1.00 0.00 C ATOM 313 O GLU A 19 -12.815 -0.811 -0.731 1.00 0.00 O ATOM 314 CB GLU A 19 -11.202 -2.039 -2.974 1.00 0.00 C ATOM 315 CG GLU A 19 -12.101 -3.080 -3.651 1.00 0.00 C ATOM 316 CD GLU A 19 -11.457 -4.481 -3.632 1.00 0.00 C ATOM 317 OE1 GLU A 19 -10.483 -4.716 -4.385 1.00 0.00 O ATOM 318 OE2 GLU A 19 -11.942 -5.358 -2.876 1.00 0.00 O ATOM 0 H GLU A 19 -10.727 0.431 -1.602 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.302 -0.492 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.255 -1.969 -3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.972 -2.359 -1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.065 -3.115 -3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.294 -2.781 -4.681 1.00 0.00 H new ATOM 325 N ASN A 20 -14.218 -0.215 -2.387 1.00 0.00 N ATOM 326 CA ASN A 20 -15.384 0.114 -1.551 1.00 0.00 C ATOM 327 C ASN A 20 -15.098 1.277 -0.565 1.00 0.00 C ATOM 328 O ASN A 20 -15.296 1.170 0.648 1.00 0.00 O ATOM 329 CB ASN A 20 -15.965 -1.161 -0.895 1.00 0.00 C ATOM 330 CG ASN A 20 -16.622 -2.117 -1.879 1.00 0.00 C ATOM 331 OD1 ASN A 20 -17.835 -2.260 -1.916 1.00 0.00 O ATOM 332 ND2 ASN A 20 -15.863 -2.800 -2.707 1.00 0.00 N ATOM 0 H ASN A 20 -14.411 -0.132 -3.385 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.172 0.504 -2.195 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.165 -1.686 -0.373 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.698 -0.869 -0.143 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.287 -3.444 -3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.850 -2.686 -2.682 1.00 0.00 H new ATOM 339 N GLN A 21 -14.676 2.423 -1.121 1.00 0.00 N ATOM 340 CA GLN A 21 -14.539 3.742 -0.469 1.00 0.00 C ATOM 341 C GLN A 21 -13.478 3.812 0.650 1.00 0.00 C ATOM 342 O GLN A 21 -13.569 4.644 1.556 1.00 0.00 O ATOM 343 CB GLN A 21 -15.907 4.274 0.008 1.00 0.00 C ATOM 344 CG GLN A 21 -17.002 4.275 -1.067 1.00 0.00 C ATOM 345 CD GLN A 21 -17.964 3.102 -0.937 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.606 2.875 0.081 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.135 2.326 -1.980 1.00 0.00 N ATOM 0 H GLN A 21 -14.402 2.459 -2.103 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.156 4.402 -1.247 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.244 3.669 0.850 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.778 5.291 0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.564 5.207 -1.005 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.536 4.249 -2.052 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.609 2.500 -2.837 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.794 1.549 -1.935 1.00 0.00 H new ATOM 356 N ALA A 22 -12.473 2.937 0.602 1.00 0.00 N ATOM 357 CA ALA A 22 -11.442 2.799 1.615 1.00 0.00 C ATOM 358 C ALA A 22 -10.193 2.141 0.994 1.00 0.00 C ATOM 359 O ALA A 22 -10.318 1.159 0.254 1.00 0.00 O ATOM 360 CB ALA A 22 -12.019 1.961 2.760 1.00 0.00 C ATOM 0 H ALA A 22 -12.356 2.285 -0.173 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.136 3.770 2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.265 1.840 3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.892 2.465 3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.311 0.981 2.382 1.00 0.00 H new ATOM 366 N PRO A 23 -8.991 2.689 1.230 1.00 0.00 N ATOM 367 CA PRO A 23 -7.741 2.157 0.706 1.00 0.00 C ATOM 368 C PRO A 23 -7.277 0.911 1.471 1.00 0.00 C ATOM 369 O PRO A 23 -6.791 0.990 2.597 1.00 0.00 O ATOM 370 CB PRO A 23 -6.771 3.331 0.751 1.00 0.00 C ATOM 371 CG PRO A 23 -7.244 4.126 1.962 1.00 0.00 C ATOM 372 CD PRO A 23 -8.756 3.954 1.909 1.00 0.00 C ATOM 0 HA PRO A 23 -7.834 1.785 -0.314 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.740 2.997 0.866 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.814 3.924 -0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.825 3.737 2.890 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.954 5.175 1.896 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.183 3.944 2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.224 4.779 1.371 1.00 0.00 H new ATOM 380 N VAL A 24 -7.430 -0.260 0.849 1.00 0.00 N ATOM 381 CA VAL A 24 -7.057 -1.570 1.407 1.00 0.00 C ATOM 382 C VAL A 24 -5.724 -2.074 0.844 1.00 0.00 C ATOM 383 O VAL A 24 -5.453 -3.263 0.936 1.00 0.00 O ATOM 384 CB VAL A 24 -8.184 -2.618 1.227 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.540 -2.107 1.727 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.396 -3.082 -0.218 1.00 0.00 C ATOM 0 H VAL A 24 -7.829 -0.329 -0.087 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.919 -1.427 2.479 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.832 -3.460 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.296 -2.878 1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.470 -1.867 2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.820 -1.213 1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.203 -3.814 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.657 -2.226 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.479 -3.536 -0.593 1.00 0.00 H new ATOM 396 N HIS A 25 -4.907 -1.226 0.199 1.00 0.00 N ATOM 397 CA HIS A 25 -3.722 -1.661 -0.562 1.00 0.00 C ATOM 398 C HIS A 25 -2.686 -0.550 -0.728 1.00 0.00 C ATOM 399 O HIS A 25 -3.060 0.580 -1.032 1.00 0.00 O ATOM 400 CB HIS A 25 -4.212 -2.052 -1.957 1.00 0.00 C ATOM 401 CG HIS A 25 -3.168 -2.674 -2.844 1.00 0.00 C ATOM 402 ND1 HIS A 25 -2.737 -2.169 -4.056 1.00 0.00 N ATOM 403 CD2 HIS A 25 -2.485 -3.829 -2.593 1.00 0.00 C ATOM 404 CE1 HIS A 25 -1.787 -2.998 -4.530 1.00 0.00 C ATOM 405 NE2 HIS A 25 -1.620 -4.009 -3.656 1.00 0.00 N ATOM 0 H HIS A 25 -5.049 -0.216 0.190 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.245 -2.480 -0.023 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.042 -2.751 -1.852 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.604 -1.163 -2.451 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -2.598 -4.474 -1.734 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.248 -2.873 -5.458 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.962 -4.782 -3.761 1.00 0.00 H new ATOM 414 N PHE A 26 -1.396 -0.870 -0.613 1.00 0.00 N ATOM 415 CA PHE A 26 -0.297 0.066 -0.881 1.00 0.00 C ATOM 416 C PHE A 26 0.251 -0.110 -2.304 1.00 0.00 C ATOM 417 O PHE A 26 0.396 -1.238 -2.780 1.00 0.00 O ATOM 418 CB PHE A 26 0.813 -0.144 0.164 1.00 0.00 C ATOM 419 CG PHE A 26 1.996 0.798 0.028 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.807 2.192 0.112 1.00 0.00 C ATOM 421 CD2 PHE A 26 3.290 0.286 -0.189 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.898 3.065 -0.038 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.383 1.159 -0.333 1.00 0.00 C ATOM 424 CZ PHE A 26 4.186 2.549 -0.263 1.00 0.00 C ATOM 0 H PHE A 26 -1.079 -1.797 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.675 1.085 -0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.384 -0.026 1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.173 -1.170 0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.820 2.591 0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.443 -0.782 -0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.747 4.133 0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.374 0.762 -0.497 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.024 3.220 -0.382 1.00 0.00 H new ATOM 434 N VAL A 27 0.583 1.001 -2.971 1.00 0.00 N ATOM 435 CA VAL A 27 1.218 1.007 -4.305 1.00 0.00 C ATOM 436 C VAL A 27 2.675 1.476 -4.234 1.00 0.00 C ATOM 437 O VAL A 27 3.571 0.744 -4.661 1.00 0.00 O ATOM 438 CB VAL A 27 0.404 1.847 -5.309 1.00 0.00 C ATOM 439 CG1 VAL A 27 1.084 1.927 -6.678 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.004 1.281 -5.521 1.00 0.00 C ATOM 0 H VAL A 27 0.418 1.937 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 27 1.226 -0.021 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 27 0.342 2.842 -4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.475 2.529 -7.352 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.067 2.386 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.196 0.923 -7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.543 1.903 -6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.933 0.264 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.539 1.272 -4.572 1.00 0.00 H new ATOM 450 N GLY A 28 2.935 2.685 -3.727 1.00 0.00 N ATOM 451 CA GLY A 28 4.275 3.283 -3.708 1.00 0.00 C ATOM 452 C GLY A 28 4.301 4.684 -3.093 1.00 0.00 C ATOM 453 O GLY A 28 3.296 5.163 -2.570 1.00 0.00 O ATOM 0 H GLY A 28 2.217 3.281 -3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.947 2.634 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.658 3.333 -4.727 1.00 0.00 H new ATOM 457 N VAL A 29 5.453 5.354 -3.158 1.00 0.00 N ATOM 458 CA VAL A 29 5.648 6.724 -2.646 1.00 0.00 C ATOM 459 C VAL A 29 5.965 7.697 -3.788 1.00 0.00 C ATOM 460 O VAL A 29 6.696 7.347 -4.717 1.00 0.00 O ATOM 461 CB VAL A 29 6.702 6.731 -1.519 1.00 0.00 C ATOM 462 CG1 VAL A 29 8.155 6.827 -1.996 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.407 7.862 -0.550 1.00 0.00 C ATOM 0 H VAL A 29 6.296 4.958 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 29 4.718 7.079 -2.202 1.00 0.00 H new ATOM 0 HB VAL A 29 6.616 5.760 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.822 6.825 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.385 5.974 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.293 7.750 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.153 7.864 0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.439 8.814 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.416 7.721 -0.117 1.00 0.00 H new ATOM 473 N GLY A 30 5.386 8.904 -3.756 1.00 0.00 N ATOM 474 CA GLY A 30 5.587 9.956 -4.767 1.00 0.00 C ATOM 475 C GLY A 30 5.178 9.621 -6.218 1.00 0.00 C ATOM 476 O GLY A 30 5.425 10.425 -7.117 1.00 0.00 O ATOM 0 H GLY A 30 4.750 9.185 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.030 10.839 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.642 10.229 -4.767 1.00 0.00 H new ATOM 480 N SER A 31 4.583 8.448 -6.461 1.00 0.00 N ATOM 481 CA SER A 31 4.228 7.886 -7.772 1.00 0.00 C ATOM 482 C SER A 31 3.289 6.678 -7.611 1.00 0.00 C ATOM 483 O SER A 31 3.270 6.042 -6.554 1.00 0.00 O ATOM 484 CB SER A 31 5.507 7.434 -8.493 1.00 0.00 C ATOM 485 OG SER A 31 5.221 7.046 -9.827 1.00 0.00 O ATOM 0 H SER A 31 4.319 7.824 -5.699 1.00 0.00 H new ATOM 0 HA SER A 31 3.717 8.654 -8.353 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.236 8.244 -8.493 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.958 6.600 -7.955 1.00 0.00 H new ATOM 0 HG SER A 31 6.048 6.763 -10.270 1.00 0.00 H new ATOM 491 N CYS A 32 2.546 6.331 -8.665 1.00 0.00 N ATOM 492 CA CYS A 32 1.704 5.138 -8.769 1.00 0.00 C ATOM 493 C CYS A 32 2.284 4.139 -9.787 1.00 0.00 C ATOM 494 O CYS A 32 2.129 4.313 -11.000 1.00 0.00 O ATOM 495 CB CYS A 32 0.278 5.543 -9.165 1.00 0.00 C ATOM 496 SG CYS A 32 -0.679 6.459 -7.933 1.00 0.00 S ATOM 0 H CYS A 32 2.514 6.902 -9.509 1.00 0.00 H new ATOM 0 HA CYS A 32 1.678 4.645 -7.797 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.335 6.148 -10.070 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.274 4.638 -9.421 1.00 0.00 H new ATOM 501 N GLY A 33 2.948 3.083 -9.303 1.00 0.00 N ATOM 502 CA GLY A 33 3.388 1.956 -10.135 1.00 0.00 C ATOM 503 C GLY A 33 2.236 1.008 -10.509 1.00 0.00 C ATOM 504 O GLY A 33 1.207 0.959 -9.833 1.00 0.00 O ATOM 0 H GLY A 33 3.197 2.985 -8.319 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.847 2.340 -11.046 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.156 1.395 -9.603 1.00 0.00 H new ATOM 508 N SER A 34 2.419 0.226 -11.575 1.00 0.00 N ATOM 509 CA SER A 34 1.488 -0.817 -12.034 1.00 0.00 C ATOM 510 C SER A 34 2.221 -1.951 -12.776 1.00 0.00 C ATOM 511 O SER A 34 3.424 -1.859 -13.046 1.00 0.00 O ATOM 512 CB SER A 34 0.427 -0.175 -12.938 1.00 0.00 C ATOM 513 OG SER A 34 -0.646 -1.074 -13.177 1.00 0.00 O ATOM 0 H SER A 34 3.247 0.301 -12.166 1.00 0.00 H new ATOM 0 HA SER A 34 1.009 -1.266 -11.164 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.048 0.734 -12.471 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.879 0.118 -13.885 1.00 0.00 H new ATOM 0 HG SER A 34 -1.311 -0.644 -13.754 1.00 0.00 H new ATOM 519 N GLY A 35 1.500 -3.019 -13.122 1.00 0.00 N ATOM 520 CA GLY A 35 1.983 -4.162 -13.904 1.00 0.00 C ATOM 521 C GLY A 35 0.859 -4.941 -14.602 1.00 0.00 C ATOM 522 O GLY A 35 -0.330 -4.680 -14.388 1.00 0.00 O ATOM 0 H GLY A 35 0.521 -3.117 -12.854 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.689 -3.807 -14.654 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.529 -4.838 -13.246 1.00 0.00 H new ATOM 526 N GLY A 36 1.245 -5.911 -15.435 1.00 0.00 N ATOM 527 CA GLY A 36 0.357 -6.728 -16.281 1.00 0.00 C ATOM 528 C GLY A 36 0.508 -8.244 -16.089 1.00 0.00 C ATOM 529 O GLY A 36 0.145 -9.015 -16.980 1.00 0.00 O ATOM 0 H GLY A 36 2.227 -6.163 -15.546 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.677 -6.450 -16.075 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.549 -6.486 -17.326 1.00 0.00 H new ATOM 533 N SER A 37 1.059 -8.674 -14.948 1.00 0.00 N ATOM 534 CA SER A 37 1.430 -10.067 -14.638 1.00 0.00 C ATOM 535 C SER A 37 0.847 -10.547 -13.299 1.00 0.00 C ATOM 536 O SER A 37 0.481 -9.743 -12.438 1.00 0.00 O ATOM 537 CB SER A 37 2.963 -10.197 -14.617 1.00 0.00 C ATOM 538 OG SER A 37 3.541 -9.805 -15.854 1.00 0.00 O ATOM 0 H SER A 37 1.269 -8.036 -14.180 1.00 0.00 H new ATOM 0 HA SER A 37 1.007 -10.701 -15.418 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.369 -9.582 -13.814 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.238 -11.229 -14.398 1.00 0.00 H new ATOM 0 HG SER A 37 4.515 -9.899 -15.804 1.00 0.00 H new ATOM 544 N GLY A 38 0.807 -11.868 -13.087 1.00 0.00 N ATOM 545 CA GLY A 38 0.201 -12.544 -11.925 1.00 0.00 C ATOM 546 C GLY A 38 1.031 -12.530 -10.629 1.00 0.00 C ATOM 547 O GLY A 38 0.921 -13.451 -9.817 1.00 0.00 O ATOM 0 H GLY A 38 1.214 -12.528 -13.749 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.763 -12.078 -11.721 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.003 -13.581 -12.195 1.00 0.00 H new ATOM 551 N ILE A 39 1.893 -11.526 -10.447 1.00 0.00 N ATOM 552 CA ILE A 39 2.811 -11.368 -9.306 1.00 0.00 C ATOM 553 C ILE A 39 2.019 -11.138 -8.004 1.00 0.00 C ATOM 554 O ILE A 39 1.034 -10.396 -7.981 1.00 0.00 O ATOM 555 CB ILE A 39 3.804 -10.212 -9.577 1.00 0.00 C ATOM 556 CG1 ILE A 39 4.587 -10.450 -10.895 1.00 0.00 C ATOM 557 CG2 ILE A 39 4.792 -10.028 -8.409 1.00 0.00 C ATOM 558 CD1 ILE A 39 5.422 -9.251 -11.365 1.00 0.00 C ATOM 0 H ILE A 39 1.977 -10.764 -11.120 1.00 0.00 H new ATOM 0 HA ILE A 39 3.387 -12.285 -9.184 1.00 0.00 H new ATOM 0 HB ILE A 39 3.215 -9.300 -9.675 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.248 -11.306 -10.761 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.879 -10.714 -11.681 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.474 -9.208 -8.635 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.239 -9.800 -7.497 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.363 -10.946 -8.267 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.935 -9.506 -12.292 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.767 -8.396 -11.536 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.157 -8.998 -10.601 1.00 0.00 H new ATOM 570 N PHE A 40 2.465 -11.774 -6.916 1.00 0.00 N ATOM 571 CA PHE A 40 1.791 -11.780 -5.604 1.00 0.00 C ATOM 572 C PHE A 40 2.767 -11.791 -4.401 1.00 0.00 C ATOM 573 O PHE A 40 2.395 -12.168 -3.292 1.00 0.00 O ATOM 574 CB PHE A 40 0.795 -12.959 -5.570 1.00 0.00 C ATOM 575 CG PHE A 40 -0.454 -12.701 -4.743 1.00 0.00 C ATOM 576 CD1 PHE A 40 -1.564 -12.069 -5.338 1.00 0.00 C ATOM 577 CD2 PHE A 40 -0.520 -13.091 -3.392 1.00 0.00 C ATOM 578 CE1 PHE A 40 -2.734 -11.838 -4.592 1.00 0.00 C ATOM 579 CE2 PHE A 40 -1.686 -12.849 -2.641 1.00 0.00 C ATOM 580 CZ PHE A 40 -2.795 -12.227 -3.241 1.00 0.00 C ATOM 0 H PHE A 40 3.329 -12.316 -6.919 1.00 0.00 H new ATOM 0 HA PHE A 40 1.250 -10.841 -5.493 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.497 -13.197 -6.591 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.304 -13.838 -5.173 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.516 -11.760 -6.372 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.326 -13.577 -2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.585 -11.362 -5.056 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.729 -13.142 -1.602 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.692 -12.048 -2.666 1.00 0.00 H new ATOM 590 N LEU A 41 4.038 -11.412 -4.601 1.00 0.00 N ATOM 591 CA LEU A 41 5.079 -11.445 -3.554 1.00 0.00 C ATOM 592 C LEU A 41 4.840 -10.438 -2.407 1.00 0.00 C ATOM 593 O LEU A 41 5.308 -10.640 -1.285 1.00 0.00 O ATOM 594 CB LEU A 41 6.462 -11.192 -4.197 1.00 0.00 C ATOM 595 CG LEU A 41 7.191 -12.413 -4.794 1.00 0.00 C ATOM 596 CD1 LEU A 41 7.587 -13.423 -3.716 1.00 0.00 C ATOM 597 CD2 LEU A 41 6.393 -13.141 -5.877 1.00 0.00 C ATOM 0 H LEU A 41 4.379 -11.071 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 41 5.038 -12.436 -3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.338 -10.452 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.110 -10.746 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 41 8.083 -11.995 -5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.098 -14.268 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.253 -12.946 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.693 -13.777 -3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.971 -13.987 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.453 -13.500 -5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.185 -12.456 -6.699 1.00 0.00 H new ATOM 609 N GLU A 42 4.112 -9.357 -2.685 1.00 0.00 N ATOM 610 CA GLU A 42 3.601 -8.375 -1.717 1.00 0.00 C ATOM 611 C GLU A 42 2.568 -8.962 -0.727 1.00 0.00 C ATOM 612 O GLU A 42 2.022 -10.050 -0.928 1.00 0.00 O ATOM 613 CB GLU A 42 2.994 -7.196 -2.502 1.00 0.00 C ATOM 614 CG GLU A 42 1.853 -7.620 -3.444 1.00 0.00 C ATOM 615 CD GLU A 42 1.393 -6.447 -4.319 1.00 0.00 C ATOM 616 OE1 GLU A 42 2.055 -6.140 -5.339 1.00 0.00 O ATOM 617 OE2 GLU A 42 0.355 -5.835 -3.984 1.00 0.00 O ATOM 0 H GLU A 42 3.846 -9.126 -3.642 1.00 0.00 H new ATOM 0 HA GLU A 42 4.437 -8.045 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.618 -6.454 -1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.778 -6.714 -3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.187 -8.441 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.013 -7.992 -2.858 1.00 0.00 H new ATOM 624 N THR A 43 2.240 -8.211 0.333 1.00 0.00 N ATOM 625 CA THR A 43 1.205 -8.580 1.323 1.00 0.00 C ATOM 626 C THR A 43 -0.190 -8.751 0.695 1.00 0.00 C ATOM 627 O THR A 43 -0.970 -9.592 1.141 1.00 0.00 O ATOM 628 CB THR A 43 1.131 -7.514 2.433 1.00 0.00 C ATOM 629 OG1 THR A 43 2.411 -7.260 2.977 1.00 0.00 O ATOM 630 CG2 THR A 43 0.214 -7.908 3.591 1.00 0.00 C ATOM 0 H THR A 43 2.689 -7.317 0.534 1.00 0.00 H new ATOM 0 HA THR A 43 1.500 -9.544 1.737 1.00 0.00 H new ATOM 0 HB THR A 43 0.724 -6.627 1.947 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.405 -7.464 3.936 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.208 -7.113 4.337 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.798 -8.063 3.217 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.577 -8.830 4.046 1.00 0.00 H new ATOM 638 N SER A 44 -0.497 -7.967 -0.348 1.00 0.00 N ATOM 639 CA SER A 44 -1.788 -7.895 -1.054 1.00 0.00 C ATOM 640 C SER A 44 -3.004 -7.864 -0.110 1.00 0.00 C ATOM 641 O SER A 44 -3.864 -8.749 -0.112 1.00 0.00 O ATOM 642 CB SER A 44 -1.886 -8.994 -2.120 1.00 0.00 C ATOM 643 OG SER A 44 -2.882 -8.646 -3.070 1.00 0.00 O ATOM 0 H SER A 44 0.190 -7.327 -0.747 1.00 0.00 H new ATOM 0 HA SER A 44 -1.817 -6.934 -1.567 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.924 -9.121 -2.616 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.132 -9.948 -1.653 1.00 0.00 H new ATOM 0 HG SER A 44 -3.048 -9.408 -3.664 1.00 0.00 H new ATOM 649 N LEU A 45 -3.092 -6.799 0.701 1.00 0.00 N ATOM 650 CA LEU A 45 -4.195 -6.561 1.650 1.00 0.00 C ATOM 651 C LEU A 45 -5.595 -6.515 0.990 1.00 0.00 C ATOM 652 O LEU A 45 -6.605 -6.700 1.670 1.00 0.00 O ATOM 653 CB LEU A 45 -3.927 -5.277 2.463 1.00 0.00 C ATOM 654 CG LEU A 45 -2.842 -5.419 3.545 1.00 0.00 C ATOM 655 CD1 LEU A 45 -1.485 -4.924 3.033 1.00 0.00 C ATOM 656 CD2 LEU A 45 -3.194 -4.560 4.755 1.00 0.00 C ATOM 0 H LEU A 45 -2.386 -6.063 0.717 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.217 -7.422 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.635 -4.482 1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.856 -4.963 2.938 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.788 -6.475 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.737 -5.036 3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.189 -5.510 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.563 -3.873 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.420 -4.667 5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.262 -3.515 4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.151 -4.883 5.164 1.00 0.00 H new ATOM 668 N SER A 46 -5.658 -6.368 -0.337 1.00 0.00 N ATOM 669 CA SER A 46 -6.865 -6.495 -1.171 1.00 0.00 C ATOM 670 C SER A 46 -7.581 -7.850 -1.052 1.00 0.00 C ATOM 671 O SER A 46 -8.781 -7.931 -1.322 1.00 0.00 O ATOM 672 CB SER A 46 -6.503 -6.280 -2.645 1.00 0.00 C ATOM 673 OG SER A 46 -5.779 -5.072 -2.823 1.00 0.00 O ATOM 0 H SER A 46 -4.830 -6.146 -0.889 1.00 0.00 H new ATOM 0 HA SER A 46 -7.551 -5.733 -0.801 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.908 -7.120 -3.003 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.412 -6.255 -3.246 1.00 0.00 H new ATOM 0 HG SER A 46 -5.559 -4.959 -3.771 1.00 0.00 H new ATOM 679 N ALA A 47 -6.877 -8.911 -0.638 1.00 0.00 N ATOM 680 CA ALA A 47 -7.416 -10.255 -0.423 1.00 0.00 C ATOM 681 C ALA A 47 -6.876 -10.869 0.882 1.00 0.00 C ATOM 682 O ALA A 47 -5.703 -11.238 0.983 1.00 0.00 O ATOM 683 CB ALA A 47 -7.119 -11.123 -1.648 1.00 0.00 C ATOM 0 H ALA A 47 -5.879 -8.852 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.498 -10.198 -0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.519 -12.124 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.584 -10.681 -2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.041 -11.183 -1.799 1.00 0.00 H new ATOM 689 N GLY A 48 -7.745 -10.960 1.893 1.00 0.00 N ATOM 690 CA GLY A 48 -7.435 -11.481 3.233 1.00 0.00 C ATOM 691 C GLY A 48 -7.201 -10.409 4.311 1.00 0.00 C ATOM 692 O GLY A 48 -6.996 -10.762 5.476 1.00 0.00 O ATOM 0 H GLY A 48 -8.717 -10.664 1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.254 -12.125 3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.545 -12.107 3.166 1.00 0.00 H new ATOM 696 N SER A 49 -7.257 -9.120 3.957 1.00 0.00 N ATOM 697 CA SER A 49 -7.166 -7.975 4.881 1.00 0.00 C ATOM 698 C SER A 49 -8.203 -6.893 4.527 1.00 0.00 C ATOM 699 O SER A 49 -9.153 -7.145 3.778 1.00 0.00 O ATOM 700 CB SER A 49 -5.744 -7.394 4.907 1.00 0.00 C ATOM 701 OG SER A 49 -4.737 -8.385 5.051 1.00 0.00 O ATOM 0 H SER A 49 -7.371 -8.831 2.985 1.00 0.00 H new ATOM 0 HA SER A 49 -7.393 -8.338 5.883 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.569 -6.838 3.986 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.664 -6.682 5.729 1.00 0.00 H new ATOM 0 HG SER A 49 -3.856 -7.957 5.059 1.00 0.00 H new ATOM 707 N ASP A 50 -8.076 -5.699 5.108 1.00 0.00 N ATOM 708 CA ASP A 50 -8.976 -4.563 4.938 1.00 0.00 C ATOM 709 C ASP A 50 -8.216 -3.256 5.245 1.00 0.00 C ATOM 710 O ASP A 50 -7.091 -3.260 5.747 1.00 0.00 O ATOM 711 CB ASP A 50 -10.192 -4.742 5.877 1.00 0.00 C ATOM 712 CG ASP A 50 -11.494 -4.164 5.293 1.00 0.00 C ATOM 713 OD1 ASP A 50 -11.480 -3.011 4.807 1.00 0.00 O ATOM 714 OD2 ASP A 50 -12.537 -4.860 5.336 1.00 0.00 O ATOM 0 H ASP A 50 -7.304 -5.490 5.741 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.336 -4.511 3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.332 -5.803 6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.982 -4.258 6.831 1.00 0.00 H new ATOM 719 N TRP A 51 -8.854 -2.121 4.997 1.00 0.00 N ATOM 720 CA TRP A 51 -8.418 -0.774 5.378 1.00 0.00 C ATOM 721 C TRP A 51 -8.156 -0.655 6.891 1.00 0.00 C ATOM 722 O TRP A 51 -7.206 0.004 7.321 1.00 0.00 O ATOM 723 CB TRP A 51 -9.471 0.236 4.901 1.00 0.00 C ATOM 724 CG TRP A 51 -9.643 1.445 5.768 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.681 1.666 6.606 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.731 2.567 5.944 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.485 2.864 7.266 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.303 3.468 6.887 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.463 2.900 5.427 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.674 4.664 7.259 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.814 4.092 5.800 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.421 4.979 6.704 1.00 0.00 C ATOM 0 H TRP A 51 -9.742 -2.109 4.496 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.465 -0.559 4.895 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.205 0.565 3.897 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.431 -0.275 4.825 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.529 1.010 6.738 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -11.134 3.254 7.949 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.981 2.229 4.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -9.145 5.335 7.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.843 4.326 5.388 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.927 5.901 6.972 1.00 0.00 H new ATOM 743 N LEU A 52 -8.982 -1.316 7.709 1.00 0.00 N ATOM 744 CA LEU A 52 -8.896 -1.304 9.173 1.00 0.00 C ATOM 745 C LEU A 52 -7.539 -1.832 9.681 1.00 0.00 C ATOM 746 O LEU A 52 -6.972 -1.283 10.628 1.00 0.00 O ATOM 747 CB LEU A 52 -10.098 -2.095 9.743 1.00 0.00 C ATOM 748 CG LEU A 52 -10.805 -1.474 10.964 1.00 0.00 C ATOM 749 CD1 LEU A 52 -9.872 -1.269 12.156 1.00 0.00 C ATOM 750 CD2 LEU A 52 -11.486 -0.144 10.634 1.00 0.00 C ATOM 0 H LEU A 52 -9.750 -1.890 7.361 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.949 -0.276 9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.834 -2.220 8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.753 -3.092 10.017 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.565 -2.205 11.241 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.429 -0.829 12.983 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.461 -2.230 12.466 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.059 -0.602 11.871 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.968 0.250 11.529 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.741 0.568 10.280 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.235 -0.301 9.858 1.00 0.00 H new ATOM 762 N THR A 53 -6.985 -2.855 9.020 1.00 0.00 N ATOM 763 CA THR A 53 -5.653 -3.415 9.303 1.00 0.00 C ATOM 764 C THR A 53 -4.535 -2.795 8.458 1.00 0.00 C ATOM 765 O THR A 53 -3.404 -2.725 8.935 1.00 0.00 O ATOM 766 CB THR A 53 -5.647 -4.944 9.147 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.234 -5.343 7.926 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.444 -5.615 10.267 1.00 0.00 C ATOM 0 H THR A 53 -7.461 -3.330 8.253 1.00 0.00 H new ATOM 0 HA THR A 53 -5.443 -3.157 10.341 1.00 0.00 H new ATOM 0 HB THR A 53 -4.601 -5.248 9.181 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.213 -6.320 7.857 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.423 -6.696 10.131 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.002 -5.361 11.230 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.476 -5.266 10.238 1.00 0.00 H new ATOM 776 N PHE A 54 -4.823 -2.249 7.271 1.00 0.00 N ATOM 777 CA PHE A 54 -3.881 -1.492 6.424 1.00 0.00 C ATOM 778 C PHE A 54 -3.184 -0.348 7.171 1.00 0.00 C ATOM 779 O PHE A 54 -1.970 -0.168 7.040 1.00 0.00 O ATOM 780 CB PHE A 54 -4.643 -0.960 5.201 1.00 0.00 C ATOM 781 CG PHE A 54 -3.896 0.041 4.345 1.00 0.00 C ATOM 782 CD1 PHE A 54 -3.071 -0.399 3.297 1.00 0.00 C ATOM 783 CD2 PHE A 54 -4.037 1.422 4.594 1.00 0.00 C ATOM 784 CE1 PHE A 54 -2.373 0.540 2.521 1.00 0.00 C ATOM 785 CE2 PHE A 54 -3.346 2.359 3.808 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.504 1.915 2.777 1.00 0.00 C ATOM 0 H PHE A 54 -5.751 -2.322 6.855 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.085 -2.170 6.114 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -4.924 -1.807 4.575 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.568 -0.497 5.545 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.974 -1.454 3.089 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.680 1.761 5.393 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.730 0.203 1.721 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.462 3.416 3.996 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.957 2.630 2.181 1.00 0.00 H new ATOM 796 N GLN A 55 -3.936 0.383 7.998 1.00 0.00 N ATOM 797 CA GLN A 55 -3.404 1.398 8.910 1.00 0.00 C ATOM 798 C GLN A 55 -2.353 0.786 9.844 1.00 0.00 C ATOM 799 O GLN A 55 -1.181 1.148 9.782 1.00 0.00 O ATOM 800 CB GLN A 55 -4.549 2.016 9.720 1.00 0.00 C ATOM 801 CG GLN A 55 -5.475 2.873 8.852 1.00 0.00 C ATOM 802 CD GLN A 55 -6.840 2.981 9.510 1.00 0.00 C ATOM 803 OE1 GLN A 55 -7.109 3.834 10.345 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.734 2.078 9.187 1.00 0.00 N ATOM 0 H GLN A 55 -4.950 0.284 8.053 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.921 2.181 8.325 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.128 1.222 10.192 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.136 2.628 10.521 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.046 3.866 8.717 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.573 2.430 7.861 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.512 1.366 8.491 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.652 2.087 9.632 1.00 0.00 H new ATOM 813 N LYS A 56 -2.755 -0.195 10.665 1.00 0.00 N ATOM 814 CA LYS A 56 -1.841 -0.898 11.592 1.00 0.00 C ATOM 815 C LYS A 56 -0.631 -1.549 10.898 1.00 0.00 C ATOM 816 O LYS A 56 0.416 -1.704 11.530 1.00 0.00 O ATOM 817 CB LYS A 56 -2.591 -1.947 12.439 1.00 0.00 C ATOM 818 CG LYS A 56 -3.425 -1.355 13.588 1.00 0.00 C ATOM 819 CD LYS A 56 -4.852 -0.962 13.187 1.00 0.00 C ATOM 820 CE LYS A 56 -5.607 -0.450 14.420 1.00 0.00 C ATOM 821 NZ LYS A 56 -7.036 -0.186 14.114 1.00 0.00 N ATOM 0 H LYS A 56 -3.719 -0.526 10.709 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.447 -0.120 12.247 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.249 -2.521 11.786 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.866 -2.647 12.855 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.474 -2.082 14.399 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.913 -0.475 13.978 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.825 -0.191 12.417 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.371 -1.820 12.760 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.536 -1.184 15.222 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.137 0.464 14.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.516 0.159 14.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.104 0.533 13.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.490 -1.065 13.792 1.00 0.00 H new ATOM 835 N LYS A 57 -0.746 -1.910 9.612 1.00 0.00 N ATOM 836 CA LYS A 57 0.311 -2.547 8.810 1.00 0.00 C ATOM 837 C LYS A 57 1.519 -1.630 8.580 1.00 0.00 C ATOM 838 O LYS A 57 2.638 -2.094 8.770 1.00 0.00 O ATOM 839 CB LYS A 57 -0.299 -3.128 7.515 1.00 0.00 C ATOM 840 CG LYS A 57 0.565 -4.200 6.822 1.00 0.00 C ATOM 841 CD LYS A 57 1.617 -3.643 5.851 1.00 0.00 C ATOM 842 CE LYS A 57 2.454 -4.788 5.265 1.00 0.00 C ATOM 843 NZ LYS A 57 3.570 -4.286 4.419 1.00 0.00 N ATOM 0 H LYS A 57 -1.605 -1.762 9.083 1.00 0.00 H new ATOM 0 HA LYS A 57 0.726 -3.382 9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.272 -3.560 7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.474 -2.312 6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.071 -4.790 7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.090 -4.879 6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.127 -3.093 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.265 -2.938 6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.858 -5.394 6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.813 -5.439 4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.110 -5.091 4.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.184 -3.729 3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.197 -3.686 4.992 1.00 0.00 H new ATOM 857 N HIS A 58 1.347 -0.366 8.160 1.00 0.00 N ATOM 858 CA HIS A 58 2.485 0.539 7.855 1.00 0.00 C ATOM 859 C HIS A 58 2.191 2.047 8.019 1.00 0.00 C ATOM 860 O HIS A 58 2.834 2.885 7.389 1.00 0.00 O ATOM 861 CB HIS A 58 3.021 0.211 6.447 1.00 0.00 C ATOM 862 CG HIS A 58 2.094 0.669 5.355 1.00 0.00 C ATOM 863 ND1 HIS A 58 2.332 1.750 4.532 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.827 0.209 5.118 1.00 0.00 C ATOM 865 CE1 HIS A 58 1.210 1.952 3.815 1.00 0.00 C ATOM 866 NE2 HIS A 58 0.283 1.033 4.156 1.00 0.00 N ATOM 0 H HIS A 58 0.431 0.060 8.021 1.00 0.00 H new ATOM 0 HA HIS A 58 3.248 0.346 8.609 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.995 0.683 6.314 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.174 -0.865 6.362 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.347 -0.635 5.592 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.073 2.731 3.079 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.658 0.960 3.769 1.00 0.00 H new ATOM 875 N ILE A 59 1.218 2.422 8.842 1.00 0.00 N ATOM 876 CA ILE A 59 0.812 3.820 9.093 1.00 0.00 C ATOM 877 C ILE A 59 0.755 4.074 10.604 1.00 0.00 C ATOM 878 O ILE A 59 0.406 3.188 11.387 1.00 0.00 O ATOM 879 CB ILE A 59 -0.531 4.167 8.394 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.496 3.721 6.909 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.849 5.671 8.517 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.561 4.335 5.994 1.00 0.00 C ATOM 0 H ILE A 59 0.667 1.749 9.374 1.00 0.00 H new ATOM 0 HA ILE A 59 1.559 4.484 8.658 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.330 3.622 8.896 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.486 3.962 6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.598 2.636 6.874 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.795 5.885 8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.924 5.942 9.570 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.053 6.251 8.049 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.437 3.949 4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.553 4.073 6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.452 5.419 5.985 1.00 0.00 H new ATOM 894 N THR A 60 1.114 5.287 11.025 1.00 0.00 N ATOM 895 CA THR A 60 1.081 5.690 12.443 1.00 0.00 C ATOM 896 C THR A 60 0.700 7.161 12.657 1.00 0.00 C ATOM 897 O THR A 60 0.868 8.000 11.773 1.00 0.00 O ATOM 898 CB THR A 60 2.427 5.351 13.107 1.00 0.00 C ATOM 899 OG1 THR A 60 2.358 5.650 14.482 1.00 0.00 O ATOM 900 CG2 THR A 60 3.623 6.098 12.509 1.00 0.00 C ATOM 0 H THR A 60 1.437 6.023 10.397 1.00 0.00 H new ATOM 0 HA THR A 60 0.285 5.120 12.922 1.00 0.00 H new ATOM 0 HB THR A 60 2.592 4.288 12.929 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.242 5.927 14.801 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.534 5.804 13.031 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.715 5.850 11.452 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.473 7.172 12.618 1.00 0.00 H new ATOM 908 N ASN A 61 0.226 7.484 13.865 1.00 0.00 N ATOM 909 CA ASN A 61 0.040 8.836 14.394 1.00 0.00 C ATOM 910 C ASN A 61 1.288 9.358 15.154 1.00 0.00 C ATOM 911 O ASN A 61 1.250 10.448 15.726 1.00 0.00 O ATOM 912 CB ASN A 61 -1.211 8.816 15.290 1.00 0.00 C ATOM 913 CG ASN A 61 -2.500 8.678 14.492 1.00 0.00 C ATOM 914 OD1 ASN A 61 -2.898 9.565 13.751 1.00 0.00 O ATOM 915 ND2 ASN A 61 -3.208 7.580 14.631 1.00 0.00 N ATOM 0 H ASN A 61 -0.053 6.768 14.536 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.098 9.534 13.568 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.135 7.989 15.996 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.248 9.734 15.877 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.085 7.471 14.122 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.881 6.837 15.248 1.00 0.00 H new ATOM 922 N THR A 62 2.385 8.590 15.188 1.00 0.00 N ATOM 923 CA THR A 62 3.694 8.954 15.764 1.00 0.00 C ATOM 924 C THR A 62 4.800 7.997 15.287 1.00 0.00 C ATOM 925 O THR A 62 4.770 6.799 15.584 1.00 0.00 O ATOM 926 CB THR A 62 3.634 9.021 17.307 1.00 0.00 C ATOM 927 OG1 THR A 62 4.912 9.337 17.819 1.00 0.00 O ATOM 928 CG2 THR A 62 3.126 7.762 18.021 1.00 0.00 C ATOM 0 H THR A 62 2.387 7.649 14.795 1.00 0.00 H new ATOM 0 HA THR A 62 3.944 9.952 15.404 1.00 0.00 H new ATOM 0 HB THR A 62 2.894 9.795 17.513 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.871 9.380 18.797 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.129 7.929 19.098 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.111 7.541 17.691 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.777 6.921 17.782 1.00 0.00 H new ATOM 936 N ARG A 63 5.776 8.483 14.500 1.00 0.00 N ATOM 937 CA ARG A 63 6.961 7.691 14.118 1.00 0.00 C ATOM 938 C ARG A 63 7.837 7.400 15.347 1.00 0.00 C ATOM 939 O ARG A 63 8.584 8.263 15.806 1.00 0.00 O ATOM 940 CB ARG A 63 7.763 8.382 12.996 1.00 0.00 C ATOM 941 CG ARG A 63 8.905 7.471 12.524 1.00 0.00 C ATOM 942 CD ARG A 63 9.832 8.159 11.523 1.00 0.00 C ATOM 943 NE ARG A 63 10.657 9.219 12.140 1.00 0.00 N ATOM 944 CZ ARG A 63 11.778 9.082 12.829 1.00 0.00 C ATOM 945 NH1 ARG A 63 12.294 7.918 13.107 1.00 0.00 N ATOM 946 NH2 ARG A 63 12.416 10.134 13.253 1.00 0.00 N ATOM 0 H ARG A 63 5.768 9.427 14.113 1.00 0.00 H new ATOM 0 HA ARG A 63 6.617 6.736 13.721 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.105 8.616 12.159 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.168 9.327 13.357 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.486 7.146 13.387 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.485 6.575 12.067 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.486 7.414 11.069 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.235 8.591 10.720 1.00 0.00 H new ATOM 0 HE ARG A 63 10.320 10.174 12.020 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.831 7.066 12.790 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.161 7.859 13.641 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.052 11.066 13.054 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.280 10.027 13.784 1.00 0.00 H new ATOM 960 N ASP A 64 7.772 6.165 15.840 1.00 0.00 N ATOM 961 CA ASP A 64 8.548 5.658 16.987 1.00 0.00 C ATOM 962 C ASP A 64 9.539 4.532 16.608 1.00 0.00 C ATOM 963 O ASP A 64 10.206 3.951 17.467 1.00 0.00 O ATOM 964 CB ASP A 64 7.552 5.235 18.083 1.00 0.00 C ATOM 965 CG ASP A 64 8.217 4.979 19.449 1.00 0.00 C ATOM 966 OD1 ASP A 64 8.903 5.891 19.972 1.00 0.00 O ATOM 967 OD2 ASP A 64 8.006 3.888 20.032 1.00 0.00 O ATOM 0 H ASP A 64 7.156 5.457 15.441 1.00 0.00 H new ATOM 0 HA ASP A 64 9.191 6.454 17.363 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.796 6.012 18.195 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.035 4.330 17.764 1.00 0.00 H new ATOM 972 N VAL A 65 9.647 4.214 15.313 1.00 0.00 N ATOM 973 CA VAL A 65 10.534 3.169 14.773 1.00 0.00 C ATOM 974 C VAL A 65 12.019 3.575 14.804 1.00 0.00 C ATOM 975 O VAL A 65 12.372 4.733 14.568 1.00 0.00 O ATOM 976 CB VAL A 65 10.078 2.757 13.356 1.00 0.00 C ATOM 977 CG1 VAL A 65 9.987 3.923 12.366 1.00 0.00 C ATOM 978 CG2 VAL A 65 10.990 1.686 12.760 1.00 0.00 C ATOM 0 H VAL A 65 9.106 4.688 14.589 1.00 0.00 H new ATOM 0 HA VAL A 65 10.451 2.300 15.426 1.00 0.00 H new ATOM 0 HB VAL A 65 9.072 2.362 13.499 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.660 3.551 11.395 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.270 4.657 12.733 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.966 4.391 12.265 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.638 1.422 11.763 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.008 2.070 12.695 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.976 0.801 13.396 1.00 0.00 H new ATOM 988 N ASP A 66 12.893 2.590 15.042 1.00 0.00 N ATOM 989 CA ASP A 66 14.364 2.709 15.030 1.00 0.00 C ATOM 990 C ASP A 66 15.059 1.585 14.218 1.00 0.00 C ATOM 991 O ASP A 66 16.286 1.492 14.188 1.00 0.00 O ATOM 992 CB ASP A 66 14.848 2.757 16.489 1.00 0.00 C ATOM 993 CG ASP A 66 16.298 3.260 16.636 1.00 0.00 C ATOM 994 OD1 ASP A 66 16.616 4.357 16.116 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.108 2.595 17.327 1.00 0.00 O ATOM 0 H ASP A 66 12.584 1.642 15.259 1.00 0.00 H new ATOM 0 HA ASP A 66 14.642 3.629 14.515 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.186 3.406 17.063 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.771 1.760 16.923 1.00 0.00 H new ATOM 1000 N CYS A 67 14.273 0.731 13.542 1.00 0.00 N ATOM 1001 CA CYS A 67 14.695 -0.401 12.698 1.00 0.00 C ATOM 1002 C CYS A 67 15.667 -1.389 13.392 1.00 0.00 C ATOM 1003 O CYS A 67 16.606 -1.912 12.794 1.00 0.00 O ATOM 1004 CB CYS A 67 15.146 0.131 11.328 1.00 0.00 C ATOM 1005 SG CYS A 67 13.920 1.236 10.568 1.00 0.00 S ATOM 0 H CYS A 67 13.257 0.818 13.572 1.00 0.00 H new ATOM 0 HA CYS A 67 13.835 -1.048 12.523 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.089 0.665 11.443 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.335 -0.710 10.660 1.00 0.00 H new ATOM 1010 N ASP A 68 15.399 -1.654 14.677 1.00 0.00 N ATOM 1011 CA ASP A 68 16.128 -2.543 15.598 1.00 0.00 C ATOM 1012 C ASP A 68 15.220 -3.089 16.725 1.00 0.00 C ATOM 1013 O ASP A 68 15.441 -4.189 17.222 1.00 0.00 O ATOM 1014 CB ASP A 68 17.314 -1.781 16.224 1.00 0.00 C ATOM 1015 CG ASP A 68 18.660 -2.109 15.549 1.00 0.00 C ATOM 1016 OD1 ASP A 68 19.071 -3.296 15.549 1.00 0.00 O ATOM 1017 OD2 ASP A 68 19.355 -1.183 15.071 1.00 0.00 O ATOM 0 H ASP A 68 14.602 -1.217 15.140 1.00 0.00 H new ATOM 0 HA ASP A 68 16.485 -3.393 15.017 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.129 -0.709 16.153 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.376 -2.024 17.285 1.00 0.00 H new ATOM 1022 N ASN A 69 14.164 -2.360 17.105 1.00 0.00 N ATOM 1023 CA ASN A 69 13.197 -2.730 18.147 1.00 0.00 C ATOM 1024 C ASN A 69 11.807 -3.105 17.597 1.00 0.00 C ATOM 1025 O ASN A 69 10.901 -3.437 18.361 1.00 0.00 O ATOM 1026 CB ASN A 69 13.169 -1.621 19.218 1.00 0.00 C ATOM 1027 CG ASN A 69 12.929 -0.193 18.746 1.00 0.00 C ATOM 1028 OD1 ASN A 69 13.575 0.740 19.198 1.00 0.00 O ATOM 1029 ND2 ASN A 69 12.005 0.056 17.846 1.00 0.00 N ATOM 0 H ASN A 69 13.951 -1.459 16.678 1.00 0.00 H new ATOM 0 HA ASN A 69 13.530 -3.654 18.619 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.393 -1.871 19.941 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.120 -1.644 19.751 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.838 1.014 17.538 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.454 -0.709 17.456 1.00 0.00 H new ATOM 1036 N ILE A 70 11.638 -3.105 16.267 1.00 0.00 N ATOM 1037 CA ILE A 70 10.396 -3.497 15.566 1.00 0.00 C ATOM 1038 C ILE A 70 9.985 -4.955 15.813 1.00 0.00 C ATOM 1039 O ILE A 70 8.837 -5.321 15.569 1.00 0.00 O ATOM 1040 CB ILE A 70 10.494 -3.187 14.057 1.00 0.00 C ATOM 1041 CG1 ILE A 70 11.507 -4.093 13.316 1.00 0.00 C ATOM 1042 CG2 ILE A 70 10.776 -1.686 13.884 1.00 0.00 C ATOM 1043 CD1 ILE A 70 11.853 -3.608 11.907 1.00 0.00 C ATOM 0 H ILE A 70 12.380 -2.825 15.626 1.00 0.00 H new ATOM 0 HA ILE A 70 9.599 -2.890 15.996 1.00 0.00 H new ATOM 0 HB ILE A 70 9.541 -3.421 13.582 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.423 -4.155 13.904 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.100 -5.102 13.253 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.848 -1.449 12.822 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.965 -1.110 14.330 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.715 -1.433 14.377 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.568 -4.293 11.452 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.947 -3.573 11.302 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.291 -2.611 11.963 1.00 0.00 H new ATOM 1055 N MET A 71 10.883 -5.763 16.386 1.00 0.00 N ATOM 1056 CA MET A 71 10.578 -7.090 16.945 1.00 0.00 C ATOM 1057 C MET A 71 9.406 -7.063 17.951 1.00 0.00 C ATOM 1058 O MET A 71 8.602 -7.994 17.994 1.00 0.00 O ATOM 1059 CB MET A 71 11.865 -7.671 17.561 1.00 0.00 C ATOM 1060 CG MET A 71 11.679 -9.062 18.180 1.00 0.00 C ATOM 1061 SD MET A 71 11.114 -9.054 19.908 1.00 0.00 S ATOM 1062 CE MET A 71 10.348 -10.695 19.983 1.00 0.00 C ATOM 0 H MET A 71 11.867 -5.509 16.478 1.00 0.00 H new ATOM 0 HA MET A 71 10.237 -7.740 16.139 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.634 -7.726 16.790 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.231 -6.988 18.328 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.960 -9.619 17.579 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.626 -9.599 18.124 1.00 0.00 H new ATOM 0 HE1 MET A 71 9.944 -10.863 20.981 1.00 0.00 H new ATOM 0 HE2 MET A 71 9.543 -10.754 19.251 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.096 -11.456 19.762 1.00 0.00 H new ATOM 1072 N SER A 72 9.266 -5.976 18.720 1.00 0.00 N ATOM 1073 CA SER A 72 8.185 -5.763 19.697 1.00 0.00 C ATOM 1074 C SER A 72 6.856 -5.275 19.076 1.00 0.00 C ATOM 1075 O SER A 72 5.893 -5.013 19.803 1.00 0.00 O ATOM 1076 CB SER A 72 8.676 -4.772 20.764 1.00 0.00 C ATOM 1077 OG SER A 72 7.893 -4.845 21.946 1.00 0.00 O ATOM 0 H SER A 72 9.921 -5.195 18.680 1.00 0.00 H new ATOM 0 HA SER A 72 7.954 -6.733 20.138 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.718 -4.982 21.004 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.639 -3.759 20.364 1.00 0.00 H new ATOM 0 HG SER A 72 6.942 -4.861 21.708 1.00 0.00 H new ATOM 1083 N THR A 73 6.779 -5.136 17.747 1.00 0.00 N ATOM 1084 CA THR A 73 5.627 -4.593 16.996 1.00 0.00 C ATOM 1085 C THR A 73 5.076 -5.608 15.981 1.00 0.00 C ATOM 1086 O THR A 73 5.578 -6.727 15.870 1.00 0.00 O ATOM 1087 CB THR A 73 5.987 -3.275 16.280 1.00 0.00 C ATOM 1088 OG1 THR A 73 6.775 -3.531 15.141 1.00 0.00 O ATOM 1089 CG2 THR A 73 6.734 -2.261 17.148 1.00 0.00 C ATOM 0 H THR A 73 7.547 -5.409 17.134 1.00 0.00 H new ATOM 0 HA THR A 73 4.848 -4.387 17.730 1.00 0.00 H new ATOM 0 HB THR A 73 5.025 -2.834 16.017 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.482 -4.170 15.369 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.945 -1.366 16.562 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.119 -1.995 18.008 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.671 -2.698 17.494 1.00 0.00 H new ATOM 1097 N ASN A 74 4.062 -5.222 15.197 1.00 0.00 N ATOM 1098 CA ASN A 74 3.539 -6.026 14.081 1.00 0.00 C ATOM 1099 C ASN A 74 4.574 -6.276 12.960 1.00 0.00 C ATOM 1100 O ASN A 74 4.426 -7.209 12.170 1.00 0.00 O ATOM 1101 CB ASN A 74 2.285 -5.338 13.506 1.00 0.00 C ATOM 1102 CG ASN A 74 1.213 -5.086 14.553 1.00 0.00 C ATOM 1103 OD1 ASN A 74 0.566 -5.995 15.052 1.00 0.00 O ATOM 1104 ND2 ASN A 74 1.004 -3.843 14.934 1.00 0.00 N ATOM 0 H ASN A 74 3.575 -4.334 15.319 1.00 0.00 H new ATOM 0 HA ASN A 74 3.289 -7.008 14.482 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.573 -4.389 13.054 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.870 -5.957 12.711 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.302 -3.639 15.646 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.544 -3.084 14.518 1.00 0.00 H new ATOM 1111 N LEU A 75 5.633 -5.460 12.890 1.00 0.00 N ATOM 1112 CA LEU A 75 6.630 -5.423 11.818 1.00 0.00 C ATOM 1113 C LEU A 75 7.788 -6.427 11.985 1.00 0.00 C ATOM 1114 O LEU A 75 8.727 -6.416 11.186 1.00 0.00 O ATOM 1115 CB LEU A 75 7.158 -3.978 11.712 1.00 0.00 C ATOM 1116 CG LEU A 75 6.164 -2.889 11.265 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.324 -3.323 10.073 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.242 -2.355 12.363 1.00 0.00 C ATOM 0 H LEU A 75 5.826 -4.773 13.619 1.00 0.00 H new ATOM 0 HA LEU A 75 6.137 -5.734 10.897 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.554 -3.692 12.686 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.995 -3.976 11.014 1.00 0.00 H new ATOM 0 HG LEU A 75 6.817 -2.065 10.978 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.640 -2.520 9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.977 -3.548 9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.752 -4.213 10.336 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.582 -1.594 11.946 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.644 -3.173 12.766 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.842 -1.917 13.161 1.00 0.00 H new ATOM 1130 N PHE A 76 7.722 -7.326 12.972 1.00 0.00 N ATOM 1131 CA PHE A 76 8.744 -8.317 13.334 1.00 0.00 C ATOM 1132 C PHE A 76 9.030 -9.377 12.255 1.00 0.00 C ATOM 1133 O PHE A 76 9.955 -10.177 12.402 1.00 0.00 O ATOM 1134 CB PHE A 76 8.335 -9.003 14.644 1.00 0.00 C ATOM 1135 CG PHE A 76 7.265 -10.077 14.519 1.00 0.00 C ATOM 1136 CD1 PHE A 76 5.910 -9.728 14.363 1.00 0.00 C ATOM 1137 CD2 PHE A 76 7.628 -11.437 14.554 1.00 0.00 C ATOM 1138 CE1 PHE A 76 4.925 -10.727 14.251 1.00 0.00 C ATOM 1139 CE2 PHE A 76 6.646 -12.438 14.444 1.00 0.00 C ATOM 1140 CZ PHE A 76 5.293 -12.083 14.295 1.00 0.00 C ATOM 0 H PHE A 76 6.904 -7.386 13.578 1.00 0.00 H new ATOM 0 HA PHE A 76 9.676 -7.763 13.446 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.223 -9.451 15.091 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.979 -8.240 15.337 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.625 -8.687 14.329 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.666 -11.713 14.666 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.887 -10.452 14.131 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.931 -13.479 14.474 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.538 -12.851 14.215 1.00 0.00 H new ATOM 1150 N HIS A 77 8.261 -9.373 11.159 1.00 0.00 N ATOM 1151 CA HIS A 77 8.330 -10.326 10.039 1.00 0.00 C ATOM 1152 C HIS A 77 9.678 -10.330 9.275 1.00 0.00 C ATOM 1153 O HIS A 77 9.875 -11.151 8.379 1.00 0.00 O ATOM 1154 CB HIS A 77 7.127 -10.064 9.103 1.00 0.00 C ATOM 1155 CG HIS A 77 6.621 -11.292 8.378 1.00 0.00 C ATOM 1156 ND1 HIS A 77 7.384 -12.187 7.653 1.00 0.00 N ATOM 1157 CD2 HIS A 77 5.322 -11.721 8.348 1.00 0.00 C ATOM 1158 CE1 HIS A 77 6.563 -13.153 7.195 1.00 0.00 C ATOM 1159 NE2 HIS A 77 5.302 -12.887 7.600 1.00 0.00 N ATOM 0 H HIS A 77 7.536 -8.669 11.020 1.00 0.00 H new ATOM 0 HA HIS A 77 8.274 -11.332 10.456 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.311 -9.641 9.689 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.412 -9.313 8.366 1.00 0.00 H new ATOM 0 HD1 HIS A 77 8.390 -12.127 7.493 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.475 -11.243 8.817 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.865 -14.003 6.600 1.00 0.00 H new ATOM 1168 N CYS A 78 10.601 -9.418 9.609 1.00 0.00 N ATOM 1169 CA CYS A 78 11.951 -9.266 9.042 1.00 0.00 C ATOM 1170 C CYS A 78 12.000 -9.159 7.498 1.00 0.00 C ATOM 1171 O CYS A 78 12.915 -9.655 6.834 1.00 0.00 O ATOM 1172 CB CYS A 78 12.877 -10.335 9.651 1.00 0.00 C ATOM 1173 SG CYS A 78 14.660 -9.984 9.574 1.00 0.00 S ATOM 0 H CYS A 78 10.414 -8.720 10.329 1.00 0.00 H new ATOM 0 HA CYS A 78 12.333 -8.287 9.333 1.00 0.00 H new ATOM 0 HB2 CYS A 78 12.599 -10.475 10.696 1.00 0.00 H new ATOM 0 HB3 CYS A 78 12.691 -11.281 9.142 1.00 0.00 H new ATOM 1178 N LYS A 79 10.984 -8.501 6.922 1.00 0.00 N ATOM 1179 CA LYS A 79 10.875 -8.162 5.492 1.00 0.00 C ATOM 1180 C LYS A 79 11.974 -7.193 5.016 1.00 0.00 C ATOM 1181 O LYS A 79 12.584 -6.488 5.820 1.00 0.00 O ATOM 1182 CB LYS A 79 9.443 -7.686 5.163 1.00 0.00 C ATOM 1183 CG LYS A 79 8.774 -6.721 6.161 1.00 0.00 C ATOM 1184 CD LYS A 79 9.437 -5.337 6.262 1.00 0.00 C ATOM 1185 CE LYS A 79 10.192 -5.068 7.575 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.277 -4.856 8.729 1.00 0.00 N ATOM 0 H LYS A 79 10.181 -8.176 7.461 1.00 0.00 H new ATOM 0 HA LYS A 79 11.055 -9.070 4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.464 -7.201 4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.808 -8.567 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.731 -6.589 5.873 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.776 -7.183 7.148 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.133 -5.224 5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.668 -4.574 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.852 -5.909 7.789 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.825 -4.189 7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.517 -3.962 9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.295 -4.816 8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.379 -5.642 9.402 1.00 0.00 H new ATOM 1200 N ASP A 80 12.199 -7.147 3.703 1.00 0.00 N ATOM 1201 CA ASP A 80 13.302 -6.431 3.036 1.00 0.00 C ATOM 1202 C ASP A 80 13.225 -4.892 3.106 1.00 0.00 C ATOM 1203 O ASP A 80 14.264 -4.225 3.095 1.00 0.00 O ATOM 1204 CB ASP A 80 13.418 -6.905 1.577 1.00 0.00 C ATOM 1205 CG ASP A 80 12.225 -6.507 0.687 1.00 0.00 C ATOM 1206 OD1 ASP A 80 11.079 -6.914 0.993 1.00 0.00 O ATOM 1207 OD2 ASP A 80 12.439 -5.815 -0.336 1.00 0.00 O ATOM 0 H ASP A 80 11.593 -7.628 3.039 1.00 0.00 H new ATOM 0 HA ASP A 80 14.201 -6.685 3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 80 14.331 -6.496 1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.519 -7.990 1.566 1.00 0.00 H new ATOM 1212 N LYS A 81 12.016 -4.331 3.220 1.00 0.00 N ATOM 1213 CA LYS A 81 11.757 -2.924 3.575 1.00 0.00 C ATOM 1214 C LYS A 81 10.316 -2.694 4.032 1.00 0.00 C ATOM 1215 O LYS A 81 9.420 -3.461 3.681 1.00 0.00 O ATOM 1216 CB LYS A 81 12.093 -1.967 2.405 1.00 0.00 C ATOM 1217 CG LYS A 81 11.496 -2.405 1.061 1.00 0.00 C ATOM 1218 CD LYS A 81 11.453 -1.294 0.002 1.00 0.00 C ATOM 1219 CE LYS A 81 10.390 -0.234 0.327 1.00 0.00 C ATOM 1220 NZ LYS A 81 10.252 0.760 -0.769 1.00 0.00 N ATOM 0 H LYS A 81 11.158 -4.860 3.063 1.00 0.00 H new ATOM 0 HA LYS A 81 12.417 -2.700 4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.728 -0.969 2.647 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.176 -1.895 2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.078 -3.240 0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.483 -2.772 1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.431 -0.818 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.243 -1.731 -0.974 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.430 -0.722 0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.657 0.278 1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.526 1.459 -0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.161 1.243 -0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.972 0.274 -1.645 1.00 0.00 H new ATOM 1234 N ASN A 82 10.087 -1.605 4.766 1.00 0.00 N ATOM 1235 CA ASN A 82 8.752 -1.092 5.089 1.00 0.00 C ATOM 1236 C ASN A 82 8.691 0.426 4.872 1.00 0.00 C ATOM 1237 O ASN A 82 9.646 1.134 5.196 1.00 0.00 O ATOM 1238 CB ASN A 82 8.393 -1.464 6.541 1.00 0.00 C ATOM 1239 CG ASN A 82 6.891 -1.498 6.790 1.00 0.00 C ATOM 1240 OD1 ASN A 82 6.119 -2.060 6.028 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.430 -0.945 7.883 1.00 0.00 N ATOM 0 H ASN A 82 10.839 -1.042 5.162 1.00 0.00 H new ATOM 0 HA ASN A 82 8.020 -1.549 4.423 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.817 -2.440 6.776 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.852 -0.745 7.219 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.433 -0.985 8.093 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.068 -0.474 8.524 1.00 0.00 H new ATOM 1248 N THR A 83 7.560 0.913 4.359 1.00 0.00 N ATOM 1249 CA THR A 83 7.297 2.334 4.099 1.00 0.00 C ATOM 1250 C THR A 83 6.281 2.861 5.116 1.00 0.00 C ATOM 1251 O THR A 83 5.068 2.712 4.924 1.00 0.00 O ATOM 1252 CB THR A 83 6.769 2.551 2.669 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.628 1.962 1.711 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.657 4.041 2.357 1.00 0.00 C ATOM 0 H THR A 83 6.776 0.313 4.104 1.00 0.00 H new ATOM 0 HA THR A 83 8.235 2.881 4.198 1.00 0.00 H new ATOM 0 HB THR A 83 5.787 2.081 2.616 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.268 2.113 0.812 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.282 4.173 1.342 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.970 4.510 3.061 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.639 4.506 2.444 1.00 0.00 H new ATOM 1262 N PHE A 84 6.760 3.446 6.216 1.00 0.00 N ATOM 1263 CA PHE A 84 5.894 4.045 7.235 1.00 0.00 C ATOM 1264 C PHE A 84 5.392 5.430 6.812 1.00 0.00 C ATOM 1265 O PHE A 84 6.168 6.275 6.355 1.00 0.00 O ATOM 1266 CB PHE A 84 6.581 4.163 8.596 1.00 0.00 C ATOM 1267 CG PHE A 84 7.008 2.859 9.225 1.00 0.00 C ATOM 1268 CD1 PHE A 84 6.056 2.023 9.841 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.370 2.510 9.239 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.480 0.853 10.495 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.778 1.302 9.832 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.840 0.489 10.491 1.00 0.00 C ATOM 0 H PHE A 84 7.756 3.518 6.425 1.00 0.00 H new ATOM 0 HA PHE A 84 5.047 3.365 7.332 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.460 4.798 8.486 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.904 4.672 9.282 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.007 2.279 9.811 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.102 3.169 8.795 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.759 0.230 11.003 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.813 0.999 9.781 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.161 -0.412 10.993 1.00 0.00 H new ATOM 1282 N ILE A 85 4.101 5.672 7.036 1.00 0.00 N ATOM 1283 CA ILE A 85 3.400 6.930 6.768 1.00 0.00 C ATOM 1284 C ILE A 85 2.975 7.539 8.110 1.00 0.00 C ATOM 1285 O ILE A 85 2.170 6.946 8.831 1.00 0.00 O ATOM 1286 CB ILE A 85 2.190 6.651 5.847 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.639 6.110 4.470 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.302 7.891 5.659 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.471 5.516 3.677 1.00 0.00 C ATOM 0 H ILE A 85 3.484 4.961 7.429 1.00 0.00 H new ATOM 0 HA ILE A 85 4.045 7.643 6.255 1.00 0.00 H new ATOM 0 HB ILE A 85 1.596 5.886 6.348 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.094 6.916 3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.405 5.348 4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.466 7.644 5.004 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.921 8.216 6.627 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.888 8.694 5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.833 5.148 2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.032 4.692 4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.716 6.285 3.510 1.00 0.00 H new ATOM 1301 N TYR A 86 3.511 8.706 8.468 1.00 0.00 N ATOM 1302 CA TYR A 86 3.011 9.495 9.595 1.00 0.00 C ATOM 1303 C TYR A 86 1.835 10.387 9.145 1.00 0.00 C ATOM 1304 O TYR A 86 2.025 11.554 8.787 1.00 0.00 O ATOM 1305 CB TYR A 86 4.167 10.266 10.246 1.00 0.00 C ATOM 1306 CG TYR A 86 3.847 11.140 11.455 1.00 0.00 C ATOM 1307 CD1 TYR A 86 2.612 11.063 12.133 1.00 0.00 C ATOM 1308 CD2 TYR A 86 4.812 12.070 11.890 1.00 0.00 C ATOM 1309 CE1 TYR A 86 2.327 11.945 13.190 1.00 0.00 C ATOM 1310 CE2 TYR A 86 4.537 12.947 12.959 1.00 0.00 C ATOM 1311 CZ TYR A 86 3.284 12.894 13.606 1.00 0.00 C ATOM 1312 OH TYR A 86 2.992 13.751 14.623 1.00 0.00 O ATOM 0 H TYR A 86 4.303 9.131 7.986 1.00 0.00 H new ATOM 0 HA TYR A 86 2.608 8.839 10.367 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.925 9.543 10.547 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.618 10.901 9.483 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.882 10.323 11.839 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.773 12.111 11.399 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.369 11.896 13.687 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.283 13.658 13.282 1.00 0.00 H new ATOM 0 HH TYR A 86 3.759 14.339 14.786 1.00 0.00 H new ATOM 1322 N SER A 87 0.619 9.825 9.175 1.00 0.00 N ATOM 1323 CA SER A 87 -0.644 10.514 8.851 1.00 0.00 C ATOM 1324 C SER A 87 -1.804 10.083 9.757 1.00 0.00 C ATOM 1325 O SER A 87 -1.843 8.950 10.246 1.00 0.00 O ATOM 1326 CB SER A 87 -1.067 10.228 7.402 1.00 0.00 C ATOM 1327 OG SER A 87 -0.119 10.744 6.489 1.00 0.00 O ATOM 0 H SER A 87 0.480 8.848 9.433 1.00 0.00 H new ATOM 0 HA SER A 87 -0.445 11.575 9.002 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.172 9.153 7.255 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.043 10.673 7.209 1.00 0.00 H new ATOM 0 HG SER A 87 -0.408 11.629 6.182 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.803 10.964 9.907 1.00 0.00 N ATOM 1334 CA ARG A 88 -4.145 10.619 10.414 1.00 0.00 C ATOM 1335 C ARG A 88 -4.905 9.778 9.374 1.00 0.00 C ATOM 1336 O ARG A 88 -4.542 9.822 8.198 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.915 11.910 10.755 1.00 0.00 C ATOM 1338 CG ARG A 88 -4.207 12.744 11.837 1.00 0.00 C ATOM 1339 CD ARG A 88 -5.145 13.781 12.466 1.00 0.00 C ATOM 1340 NE ARG A 88 -6.053 13.164 13.456 1.00 0.00 N ATOM 1341 CZ ARG A 88 -7.106 13.715 14.034 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -7.511 14.918 13.741 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -7.769 13.066 14.950 1.00 0.00 N ATOM 0 H ARG A 88 -2.703 11.953 9.677 1.00 0.00 H new ATOM 0 HA ARG A 88 -4.049 10.023 11.321 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.029 12.511 9.853 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.918 11.653 11.096 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.825 12.082 12.614 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.347 13.251 11.400 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.555 14.560 12.949 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.732 14.263 11.684 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.843 12.203 13.724 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.010 15.469 13.044 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.329 15.309 14.209 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.476 12.128 15.224 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.581 13.496 15.393 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.976 9.050 9.742 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.750 8.273 8.772 1.00 0.00 C ATOM 1359 C PRO A 89 -7.553 9.118 7.768 1.00 0.00 C ATOM 1360 O PRO A 89 -7.860 8.625 6.684 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.662 7.371 9.609 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.786 8.092 10.947 1.00 0.00 C ATOM 1363 CD PRO A 89 -6.430 8.777 11.099 1.00 0.00 C ATOM 0 HA PRO A 89 -6.073 7.708 8.132 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.635 7.242 9.136 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.233 6.377 9.732 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.603 8.813 10.942 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.980 7.396 11.763 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.518 9.698 11.676 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.724 8.136 11.627 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.876 10.380 8.073 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.686 11.247 7.198 1.00 0.00 C ATOM 1373 C GLU A 90 -8.035 11.499 5.821 1.00 0.00 C ATOM 1374 O GLU A 90 -8.642 11.124 4.814 1.00 0.00 O ATOM 1375 CB GLU A 90 -9.067 12.567 7.897 1.00 0.00 C ATOM 1376 CG GLU A 90 -10.080 12.400 9.037 1.00 0.00 C ATOM 1377 CD GLU A 90 -9.418 12.550 10.419 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -8.675 11.631 10.837 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -9.634 13.590 11.087 1.00 0.00 O ATOM 0 H GLU A 90 -7.583 10.835 8.938 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.607 10.698 7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.163 13.030 8.293 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.479 13.253 7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.872 13.142 8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.550 11.419 8.964 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.807 12.058 5.724 1.00 0.00 N ATOM 1387 CA PRO A 91 -6.140 12.326 4.441 1.00 0.00 C ATOM 1388 C PRO A 91 -5.695 11.073 3.670 1.00 0.00 C ATOM 1389 O PRO A 91 -5.124 11.195 2.589 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.932 13.205 4.781 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.605 12.842 6.225 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.974 12.533 6.823 1.00 0.00 C ATOM 0 HA PRO A 91 -6.849 12.807 3.768 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.091 13.001 4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.168 14.264 4.680 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.937 11.983 6.283 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.114 13.664 6.746 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.895 11.777 7.605 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.407 13.422 7.282 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.953 9.879 4.209 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.684 8.567 3.600 1.00 0.00 C ATOM 1402 C VAL A 92 -6.987 7.971 3.061 1.00 0.00 C ATOM 1403 O VAL A 92 -7.087 7.677 1.872 1.00 0.00 O ATOM 1404 CB VAL A 92 -4.995 7.635 4.621 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.497 6.353 3.947 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.789 8.290 5.317 1.00 0.00 C ATOM 0 H VAL A 92 -6.378 9.793 5.132 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.000 8.684 2.759 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.758 7.414 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.016 5.715 4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.341 5.823 3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.779 6.607 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.349 7.585 6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.045 8.569 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.118 9.181 5.852 1.00 0.00 H new ATOM 1416 N LYS A 93 -8.022 7.840 3.898 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.323 7.280 3.495 1.00 0.00 C ATOM 1418 C LYS A 93 -10.070 8.171 2.496 1.00 0.00 C ATOM 1419 O LYS A 93 -10.595 7.678 1.500 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.200 6.982 4.727 1.00 0.00 C ATOM 1421 CG LYS A 93 -10.997 5.677 4.524 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.364 5.608 5.220 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.308 5.555 6.750 1.00 0.00 C ATOM 1424 NZ LYS A 93 -12.230 6.892 7.394 1.00 0.00 N ATOM 0 H LYS A 93 -7.984 8.120 4.878 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.112 6.342 2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.573 6.897 5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.887 7.811 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.148 5.530 3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.389 4.844 4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.951 6.477 4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.895 4.727 4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.192 5.035 7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.443 4.965 7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.298 6.785 8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.324 7.342 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -13.013 7.487 7.056 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.105 9.481 2.749 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.891 10.457 1.988 1.00 0.00 C ATOM 1440 C ALA A 94 -10.301 10.819 0.612 1.00 0.00 C ATOM 1441 O ALA A 94 -10.924 11.569 -0.143 1.00 0.00 O ATOM 1442 CB ALA A 94 -11.072 11.714 2.839 1.00 0.00 C ATOM 0 H ALA A 94 -9.573 9.905 3.509 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.850 9.988 1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.656 12.448 2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.594 11.457 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -10.095 12.134 3.080 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.123 10.280 0.261 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.561 10.368 -1.097 1.00 0.00 C ATOM 1450 C ILE A 95 -9.582 9.860 -2.138 1.00 0.00 C ATOM 1451 O ILE A 95 -9.702 10.440 -3.220 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.220 9.601 -1.213 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.188 10.057 -0.160 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.601 9.801 -2.609 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -4.948 9.154 -0.071 1.00 0.00 C ATOM 0 H ILE A 95 -8.530 9.768 0.914 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.350 11.417 -1.303 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.454 8.550 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.869 11.073 -0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.671 10.091 0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.660 9.255 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.288 9.428 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.416 10.862 -2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.271 9.540 0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.253 8.142 0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.439 9.138 -1.035 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.367 8.833 -1.786 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.475 8.322 -2.595 1.00 0.00 C ATOM 1469 C CYS A 96 -12.859 8.634 -1.996 1.00 0.00 C ATOM 1470 O CYS A 96 -13.005 8.877 -0.795 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.273 6.818 -2.800 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.365 5.775 -1.325 1.00 0.00 S ATOM 0 H CYS A 96 -10.244 8.325 -0.910 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.463 8.835 -3.557 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.022 6.468 -3.511 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.298 6.666 -3.263 1.00 0.00 H new ATOM 1477 N LYS A 97 -13.890 8.600 -2.855 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.308 8.829 -2.522 1.00 0.00 C ATOM 1479 C LYS A 97 -16.206 8.135 -3.552 1.00 0.00 C ATOM 1480 O LYS A 97 -16.287 8.566 -4.701 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.572 10.350 -2.419 1.00 0.00 C ATOM 1482 CG LYS A 97 -16.904 10.725 -1.742 1.00 0.00 C ATOM 1483 CD LYS A 97 -18.120 10.742 -2.682 1.00 0.00 C ATOM 1484 CE LYS A 97 -19.356 11.241 -1.922 1.00 0.00 C ATOM 1485 NZ LYS A 97 -20.540 11.361 -2.813 1.00 0.00 N ATOM 0 H LYS A 97 -13.753 8.403 -3.846 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.547 8.392 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.755 10.811 -1.864 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.556 10.777 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.096 10.019 -0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.800 11.710 -1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -17.922 11.388 -3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.302 9.742 -3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.583 10.555 -1.106 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.140 12.210 -1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -21.355 11.701 -2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -20.332 12.035 -3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -20.762 10.431 -3.222 1.00 0.00 H new ATOM 1499 N GLY A 98 -16.830 7.022 -3.160 1.00 0.00 N ATOM 1500 CA GLY A 98 -17.722 6.220 -4.016 1.00 0.00 C ATOM 1501 C GLY A 98 -17.010 5.193 -4.908 1.00 0.00 C ATOM 1502 O GLY A 98 -17.660 4.528 -5.712 1.00 0.00 O ATOM 0 H GLY A 98 -16.730 6.641 -2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.436 5.695 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.296 6.895 -4.651 1.00 0.00 H new ATOM 1506 N ILE A 99 -15.683 5.048 -4.783 1.00 0.00 N ATOM 1507 CA ILE A 99 -14.865 4.141 -5.602 1.00 0.00 C ATOM 1508 C ILE A 99 -15.042 2.679 -5.161 1.00 0.00 C ATOM 1509 O ILE A 99 -14.658 2.290 -4.056 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.379 4.578 -5.617 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.262 6.002 -6.218 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -12.549 3.564 -6.429 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -11.833 6.544 -6.374 1.00 0.00 C ATOM 0 H ILE A 99 -15.137 5.568 -4.096 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.220 4.205 -6.631 1.00 0.00 H new ATOM 0 HB ILE A 99 -12.990 4.602 -4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -13.740 6.003 -7.197 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.825 6.690 -5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -11.504 3.874 -6.438 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -12.631 2.578 -5.972 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -12.924 3.523 -7.452 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -11.868 7.545 -6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.351 6.584 -5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.265 5.887 -7.033 1.00 0.00 H new ATOM 1525 N ILE A 100 -15.606 1.866 -6.057 1.00 0.00 N ATOM 1526 CA ILE A 100 -15.742 0.396 -5.953 1.00 0.00 C ATOM 1527 C ILE A 100 -14.811 -0.317 -6.966 1.00 0.00 C ATOM 1528 O ILE A 100 -14.550 -1.513 -6.867 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.233 -0.023 -6.120 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.194 0.955 -5.395 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -17.465 -1.440 -5.569 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -19.679 0.570 -5.386 1.00 0.00 C ATOM 0 H ILE A 100 -16.004 2.226 -6.924 1.00 0.00 H new ATOM 0 HA ILE A 100 -15.426 0.080 -4.959 1.00 0.00 H new ATOM 0 HB ILE A 100 -17.447 0.002 -7.189 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -17.861 1.058 -4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.098 1.936 -5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -18.513 -1.713 -5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -16.838 -2.148 -6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.209 -1.465 -4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.249 1.330 -4.851 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.043 0.499 -6.411 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -19.802 -0.393 -4.890 1.00 0.00 H new ATOM 1544 N ALA A 101 -14.240 0.437 -7.912 1.00 0.00 N ATOM 1545 CA ALA A 101 -13.479 -0.012 -9.085 1.00 0.00 C ATOM 1546 C ALA A 101 -12.054 -0.552 -8.807 1.00 0.00 C ATOM 1547 O ALA A 101 -11.295 -0.777 -9.753 1.00 0.00 O ATOM 1548 CB ALA A 101 -13.427 1.172 -10.062 1.00 0.00 C ATOM 0 H ALA A 101 -14.302 1.454 -7.875 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.998 -0.879 -9.493 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.869 0.884 -10.953 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -14.441 1.455 -10.345 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -12.934 2.018 -9.583 1.00 0.00 H new ATOM 1554 N SER A 102 -11.666 -0.753 -7.540 1.00 0.00 N ATOM 1555 CA SER A 102 -10.303 -1.111 -7.102 1.00 0.00 C ATOM 1556 C SER A 102 -9.203 -0.207 -7.710 1.00 0.00 C ATOM 1557 O SER A 102 -8.342 -0.655 -8.472 1.00 0.00 O ATOM 1558 CB SER A 102 -10.046 -2.622 -7.266 1.00 0.00 C ATOM 1559 OG SER A 102 -10.150 -3.091 -8.603 1.00 0.00 O ATOM 0 H SER A 102 -12.316 -0.668 -6.759 1.00 0.00 H new ATOM 0 HA SER A 102 -10.241 -0.905 -6.034 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.049 -2.852 -6.889 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.756 -3.169 -6.645 1.00 0.00 H new ATOM 0 HG SER A 102 -10.407 -2.350 -9.191 1.00 0.00 H new ATOM 1565 N LYS A 103 -9.238 1.093 -7.373 1.00 0.00 N ATOM 1566 CA LYS A 103 -8.345 2.161 -7.874 1.00 0.00 C ATOM 1567 C LYS A 103 -8.246 3.315 -6.869 1.00 0.00 C ATOM 1568 O LYS A 103 -9.148 3.504 -6.062 1.00 0.00 O ATOM 1569 CB LYS A 103 -8.911 2.623 -9.230 1.00 0.00 C ATOM 1570 CG LYS A 103 -8.164 3.795 -9.887 1.00 0.00 C ATOM 1571 CD LYS A 103 -8.549 3.929 -11.369 1.00 0.00 C ATOM 1572 CE LYS A 103 -8.038 5.239 -11.987 1.00 0.00 C ATOM 1573 NZ LYS A 103 -8.896 6.401 -11.628 1.00 0.00 N ATOM 0 H LYS A 103 -9.925 1.450 -6.709 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.328 1.790 -8.002 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.902 1.777 -9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.954 2.910 -9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.398 4.721 -9.361 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.089 3.641 -9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.143 3.084 -11.926 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.634 3.883 -11.466 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.018 5.424 -11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.002 5.137 -13.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.514 7.263 -12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.864 6.237 -11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.911 6.516 -10.594 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.173 4.102 -6.886 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.117 5.427 -6.261 1.00 0.00 C ATOM 1589 C ASN A 104 -6.307 6.422 -7.118 1.00 0.00 C ATOM 1590 O ASN A 104 -5.983 6.141 -8.274 1.00 0.00 O ATOM 1591 CB ASN A 104 -6.538 5.282 -4.840 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.195 6.197 -3.818 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -7.844 7.175 -4.145 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.035 5.899 -2.551 1.00 0.00 N ATOM 0 H ASN A 104 -6.301 3.835 -7.342 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.124 5.839 -6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.651 4.248 -4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.469 5.492 -4.869 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.455 6.488 -1.832 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.490 5.079 -2.285 1.00 0.00 H new ATOM 1601 N VAL A 105 -5.962 7.575 -6.542 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.028 8.567 -7.096 1.00 0.00 C ATOM 1603 C VAL A 105 -3.960 8.882 -6.039 1.00 0.00 C ATOM 1604 O VAL A 105 -4.262 8.930 -4.846 1.00 0.00 O ATOM 1605 CB VAL A 105 -5.781 9.849 -7.523 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -4.876 10.810 -8.305 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -6.990 9.549 -8.425 1.00 0.00 C ATOM 0 H VAL A 105 -6.340 7.859 -5.638 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.547 8.161 -7.986 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.112 10.302 -6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.444 11.697 -8.586 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.031 11.102 -7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.509 10.314 -9.204 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.483 10.483 -8.696 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.653 9.042 -9.329 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.693 8.910 -7.891 1.00 0.00 H new ATOM 1617 N LEU A 106 -2.712 9.103 -6.463 1.00 0.00 N ATOM 1618 CA LEU A 106 -1.632 9.642 -5.628 1.00 0.00 C ATOM 1619 C LEU A 106 -2.064 10.921 -4.880 1.00 0.00 C ATOM 1620 O LEU A 106 -2.755 11.777 -5.442 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.418 9.917 -6.546 1.00 0.00 C ATOM 1622 CG LEU A 106 0.852 10.443 -5.856 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.487 9.381 -4.968 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.872 10.893 -6.895 1.00 0.00 C ATOM 0 H LEU A 106 -2.417 8.908 -7.420 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.370 8.916 -4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.167 8.993 -7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.719 10.639 -7.305 1.00 0.00 H new ATOM 0 HG LEU A 106 0.556 11.288 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.382 9.788 -4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.777 9.079 -4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.757 8.515 -5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.765 11.263 -6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.138 10.050 -7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.444 11.689 -7.505 1.00 0.00 H new ATOM 1636 N THR A 107 -1.632 11.074 -3.624 1.00 0.00 N ATOM 1637 CA THR A 107 -1.828 12.315 -2.841 1.00 0.00 C ATOM 1638 C THR A 107 -1.127 13.546 -3.454 1.00 0.00 C ATOM 1639 O THR A 107 -0.351 13.445 -4.403 1.00 0.00 O ATOM 1640 CB THR A 107 -1.392 12.160 -1.364 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.728 10.949 -1.101 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.591 12.211 -0.421 1.00 0.00 C ATOM 0 H THR A 107 -1.135 10.344 -3.114 1.00 0.00 H new ATOM 0 HA THR A 107 -2.903 12.490 -2.876 1.00 0.00 H new ATOM 0 HB THR A 107 -0.711 12.993 -1.193 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.464 10.919 -0.158 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.250 12.099 0.608 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.101 13.168 -0.532 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.280 11.402 -0.665 1.00 0.00 H new ATOM 1650 N THR A 108 -1.372 14.730 -2.883 1.00 0.00 N ATOM 1651 CA THR A 108 -0.791 16.019 -3.328 1.00 0.00 C ATOM 1652 C THR A 108 0.049 16.716 -2.246 1.00 0.00 C ATOM 1653 O THR A 108 1.073 17.337 -2.548 1.00 0.00 O ATOM 1654 CB THR A 108 -1.892 16.935 -3.896 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.319 18.068 -4.512 1.00 0.00 O ATOM 1656 CG2 THR A 108 -2.907 17.428 -2.860 1.00 0.00 C ATOM 0 H THR A 108 -1.993 14.830 -2.080 1.00 0.00 H new ATOM 0 HA THR A 108 -0.086 15.794 -4.128 1.00 0.00 H new ATOM 0 HB THR A 108 -2.430 16.312 -4.611 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.030 18.640 -4.870 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.644 18.066 -3.348 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.409 16.573 -2.407 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.391 17.997 -2.087 1.00 0.00 H new ATOM 1664 N SER A 109 -0.328 16.553 -0.974 1.00 0.00 N ATOM 1665 CA SER A 109 0.401 17.050 0.204 1.00 0.00 C ATOM 1666 C SER A 109 1.654 16.216 0.504 1.00 0.00 C ATOM 1667 O SER A 109 1.885 15.166 -0.097 1.00 0.00 O ATOM 1668 CB SER A 109 -0.530 17.050 1.426 1.00 0.00 C ATOM 1669 OG SER A 109 -1.678 17.848 1.174 1.00 0.00 O ATOM 0 H SER A 109 -1.181 16.053 -0.724 1.00 0.00 H new ATOM 0 HA SER A 109 0.730 18.066 -0.016 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.833 16.030 1.660 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.002 17.432 2.297 1.00 0.00 H new ATOM 0 HG SER A 109 -2.263 17.837 1.960 1.00 0.00 H new ATOM 1675 N GLU A 110 2.477 16.671 1.449 1.00 0.00 N ATOM 1676 CA GLU A 110 3.750 16.041 1.819 1.00 0.00 C ATOM 1677 C GLU A 110 3.757 15.649 3.306 1.00 0.00 C ATOM 1678 O GLU A 110 3.641 16.504 4.188 1.00 0.00 O ATOM 1679 CB GLU A 110 4.931 16.950 1.427 1.00 0.00 C ATOM 1680 CG GLU A 110 4.838 17.384 -0.045 1.00 0.00 C ATOM 1681 CD GLU A 110 6.160 17.932 -0.614 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.803 18.801 0.027 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.532 17.524 -1.742 1.00 0.00 O ATOM 0 H GLU A 110 2.274 17.509 1.994 1.00 0.00 H new ATOM 0 HA GLU A 110 3.867 15.113 1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.942 17.831 2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.870 16.422 1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.519 16.532 -0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.067 18.148 -0.141 1.00 0.00 H new ATOM 1690 N PHE A 111 3.855 14.344 3.578 1.00 0.00 N ATOM 1691 CA PHE A 111 3.703 13.726 4.902 1.00 0.00 C ATOM 1692 C PHE A 111 5.041 13.131 5.354 1.00 0.00 C ATOM 1693 O PHE A 111 5.888 12.820 4.512 1.00 0.00 O ATOM 1694 CB PHE A 111 2.627 12.625 4.831 1.00 0.00 C ATOM 1695 CG PHE A 111 1.349 13.003 4.100 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.306 12.925 2.695 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.192 13.382 4.807 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.126 13.228 2.001 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.997 13.676 4.113 1.00 0.00 C ATOM 1700 CZ PHE A 111 -1.028 13.596 2.709 1.00 0.00 C ATOM 0 H PHE A 111 4.051 13.658 2.850 1.00 0.00 H new ATOM 0 HA PHE A 111 3.395 14.481 5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.059 11.751 4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.369 12.328 5.847 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.189 12.629 2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.217 13.447 5.885 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.105 13.178 0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.884 13.963 4.658 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.941 13.818 2.176 1.00 0.00 H new ATOM 1710 N TYR A 112 5.245 12.946 6.662 1.00 0.00 N ATOM 1711 CA TYR A 112 6.491 12.376 7.187 1.00 0.00 C ATOM 1712 C TYR A 112 6.625 10.909 6.752 1.00 0.00 C ATOM 1713 O TYR A 112 5.832 10.050 7.152 1.00 0.00 O ATOM 1714 CB TYR A 112 6.581 12.552 8.712 1.00 0.00 C ATOM 1715 CG TYR A 112 7.678 13.495 9.161 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.599 14.865 8.844 1.00 0.00 C ATOM 1717 CD2 TYR A 112 8.777 13.005 9.897 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.616 15.747 9.260 1.00 0.00 C ATOM 1719 CE2 TYR A 112 9.793 13.885 10.317 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.716 15.259 9.999 1.00 0.00 C ATOM 1721 OH TYR A 112 10.704 16.102 10.411 1.00 0.00 O ATOM 0 H TYR A 112 4.560 13.184 7.380 1.00 0.00 H new ATOM 0 HA TYR A 112 7.337 12.920 6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 112 5.625 12.922 9.082 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.744 11.577 9.171 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.757 15.240 8.281 1.00 0.00 H new ATOM 0 HD2 TYR A 112 8.839 11.954 10.139 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.554 16.797 9.014 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.632 13.509 10.883 1.00 0.00 H new ATOM 0 HH TYR A 112 11.380 15.595 10.907 1.00 0.00 H new ATOM 1731 N LEU A 113 7.609 10.647 5.892 1.00 0.00 N ATOM 1732 CA LEU A 113 7.810 9.377 5.198 1.00 0.00 C ATOM 1733 C LEU A 113 9.104 8.702 5.661 1.00 0.00 C ATOM 1734 O LEU A 113 10.194 9.277 5.615 1.00 0.00 O ATOM 1735 CB LEU A 113 7.761 9.622 3.675 1.00 0.00 C ATOM 1736 CG LEU A 113 6.594 8.931 2.949 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.763 7.413 2.947 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.215 9.287 3.504 1.00 0.00 C ATOM 0 H LEU A 113 8.316 11.342 5.651 1.00 0.00 H new ATOM 0 HA LEU A 113 7.009 8.681 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.698 10.695 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.698 9.280 3.236 1.00 0.00 H new ATOM 0 HG LEU A 113 6.634 9.313 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.922 6.954 2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.691 7.151 2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.796 7.049 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.448 8.759 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.158 8.995 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.054 10.362 3.418 1.00 0.00 H new ATOM 1750 N SER A 114 8.964 7.476 6.150 1.00 0.00 N ATOM 1751 CA SER A 114 9.998 6.753 6.888 1.00 0.00 C ATOM 1752 C SER A 114 10.186 5.361 6.291 1.00 0.00 C ATOM 1753 O SER A 114 9.418 4.434 6.552 1.00 0.00 O ATOM 1754 CB SER A 114 9.629 6.754 8.373 1.00 0.00 C ATOM 1755 OG SER A 114 10.480 5.915 9.137 1.00 0.00 O ATOM 0 H SER A 114 8.103 6.940 6.042 1.00 0.00 H new ATOM 0 HA SER A 114 10.968 7.243 6.801 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.684 7.772 8.759 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.597 6.424 8.489 1.00 0.00 H new ATOM 0 HG SER A 114 9.986 5.561 9.906 1.00 0.00 H new ATOM 1761 N ASP A 115 11.192 5.227 5.431 1.00 0.00 N ATOM 1762 CA ASP A 115 11.633 3.942 4.891 1.00 0.00 C ATOM 1763 C ASP A 115 12.675 3.290 5.816 1.00 0.00 C ATOM 1764 O ASP A 115 13.375 3.966 6.574 1.00 0.00 O ATOM 1765 CB ASP A 115 12.266 4.156 3.510 1.00 0.00 C ATOM 1766 CG ASP A 115 11.288 4.727 2.474 1.00 0.00 C ATOM 1767 OD1 ASP A 115 10.479 3.943 1.927 1.00 0.00 O ATOM 1768 OD2 ASP A 115 11.361 5.942 2.173 1.00 0.00 O ATOM 0 H ASP A 115 11.732 6.019 5.084 1.00 0.00 H new ATOM 0 HA ASP A 115 10.765 3.287 4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.115 4.832 3.608 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.656 3.205 3.146 1.00 0.00 H new ATOM 1773 N CYS A 116 12.852 1.979 5.687 1.00 0.00 N ATOM 1774 CA CYS A 116 14.056 1.268 6.127 1.00 0.00 C ATOM 1775 C CYS A 116 14.337 0.124 5.150 1.00 0.00 C ATOM 1776 O CYS A 116 13.434 -0.656 4.866 1.00 0.00 O ATOM 1777 CB CYS A 116 13.875 0.767 7.567 1.00 0.00 C ATOM 1778 SG CYS A 116 14.701 1.821 8.790 1.00 0.00 S ATOM 0 H CYS A 116 12.153 1.367 5.267 1.00 0.00 H new ATOM 0 HA CYS A 116 14.916 1.938 6.128 1.00 0.00 H new ATOM 0 HB2 CYS A 116 12.811 0.717 7.798 1.00 0.00 H new ATOM 0 HB3 CYS A 116 14.266 -0.247 7.645 1.00 0.00 H new ATOM 1783 N ASN A 117 15.561 0.033 4.622 1.00 0.00 N ATOM 1784 CA ASN A 117 15.968 -0.941 3.600 1.00 0.00 C ATOM 1785 C ASN A 117 17.043 -1.874 4.169 1.00 0.00 C ATOM 1786 O ASN A 117 18.024 -1.387 4.733 1.00 0.00 O ATOM 1787 CB ASN A 117 16.488 -0.192 2.358 1.00 0.00 C ATOM 1788 CG ASN A 117 15.389 0.508 1.580 1.00 0.00 C ATOM 1789 OD1 ASN A 117 14.746 -0.069 0.720 1.00 0.00 O ATOM 1790 ND2 ASN A 117 15.148 1.775 1.833 1.00 0.00 N ATOM 0 H ASN A 117 16.321 0.653 4.901 1.00 0.00 H new ATOM 0 HA ASN A 117 15.112 -1.548 3.307 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.230 0.544 2.669 1.00 0.00 H new ATOM 0 HB3 ASN A 117 16.996 -0.899 1.702 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.426 2.271 1.311 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.683 2.262 2.552 1.00 0.00 H new ATOM 1797 N VAL A 118 16.853 -3.194 4.069 1.00 0.00 N ATOM 1798 CA VAL A 118 17.779 -4.187 4.654 1.00 0.00 C ATOM 1799 C VAL A 118 19.206 -4.048 4.095 1.00 0.00 C ATOM 1800 O VAL A 118 19.405 -3.751 2.914 1.00 0.00 O ATOM 1801 CB VAL A 118 17.237 -5.621 4.467 1.00 0.00 C ATOM 1802 CG1 VAL A 118 18.261 -6.737 4.716 1.00 0.00 C ATOM 1803 CG2 VAL A 118 16.089 -5.898 5.438 1.00 0.00 C ATOM 0 H VAL A 118 16.058 -3.609 3.583 1.00 0.00 H new ATOM 0 HA VAL A 118 17.840 -3.985 5.723 1.00 0.00 H new ATOM 0 HB VAL A 118 16.933 -5.644 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.788 -7.706 4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 118 19.096 -6.626 4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.628 -6.672 5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.723 -6.914 5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.444 -5.788 6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.280 -5.190 5.256 1.00 0.00 H new ATOM 1813 N THR A 119 20.202 -4.305 4.945 1.00 0.00 N ATOM 1814 CA THR A 119 21.639 -4.328 4.621 1.00 0.00 C ATOM 1815 C THR A 119 22.313 -5.582 5.200 1.00 0.00 C ATOM 1816 O THR A 119 22.512 -5.714 6.411 1.00 0.00 O ATOM 1817 CB THR A 119 22.325 -3.010 5.018 1.00 0.00 C ATOM 1818 OG1 THR A 119 23.706 -3.072 4.737 1.00 0.00 O ATOM 1819 CG2 THR A 119 22.135 -2.568 6.472 1.00 0.00 C ATOM 0 H THR A 119 20.025 -4.514 5.928 1.00 0.00 H new ATOM 0 HA THR A 119 21.754 -4.400 3.539 1.00 0.00 H new ATOM 0 HB THR A 119 21.822 -2.256 4.412 1.00 0.00 H new ATOM 0 HG1 THR A 119 24.130 -2.226 4.993 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.661 -1.628 6.638 1.00 0.00 H new ATOM 0 HG22 THR A 119 21.073 -2.430 6.674 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.535 -3.331 7.140 1.00 0.00 H new ATOM 1827 N SER A 120 22.577 -6.562 4.323 1.00 0.00 N ATOM 1828 CA SER A 120 23.209 -7.862 4.647 1.00 0.00 C ATOM 1829 C SER A 120 24.646 -7.761 5.192 1.00 0.00 C ATOM 1830 O SER A 120 25.015 -8.628 6.018 1.00 0.00 O ATOM 1831 CB SER A 120 23.133 -8.830 3.458 1.00 0.00 C ATOM 1832 OG SER A 120 23.876 -8.363 2.340 1.00 0.00 O ATOM 1833 OXT SER A 120 25.402 -6.836 4.811 1.00 0.00 O ATOM 0 H SER A 120 22.351 -6.474 3.332 1.00 0.00 H new ATOM 0 HA SER A 120 22.620 -8.265 5.471 1.00 0.00 H new ATOM 0 HB2 SER A 120 23.511 -9.806 3.761 1.00 0.00 H new ATOM 0 HB3 SER A 120 22.091 -8.967 3.169 1.00 0.00 H new ATOM 0 HG SER A 120 23.803 -9.008 1.606 1.00 0.00 H new TER 1839 SER A 120