USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 735 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 60 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ -106:sc= -0.0903 (180deg=-1.15) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -176:sc= 0.00395 (180deg=0.000199) USER MOD Single : A 17 SER OG : rot -55:sc= -0.755! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.278 K(o=-0.28,f=-3.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 151:sc= -14.1! (180deg=-15.6!) USER MOD Single : A 31 SER OG : rot -150:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 145:sc= 0.0272 (180deg=-0.377) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -1.02 K(o=-1,f=-3.4!) USER MOD Single : A 42 THR OG1 : rot -38:sc= 0.831 USER MOD Single : A 53 SER OG : rot -160:sc= -4! USER MOD Single : A 55 ASN : amide:sc= -0.301 K(o=-0.3,f=-3.7!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0438 USER MOD Single : A 64 HIS : no HE2:sc= -12.6! C(o=-13!,f=-14!) USER MOD Single : A 69 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.6) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.62 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 89:sc= 0.296 USER MOD Single : A 85 MET CE :methyl -159:sc= -0.538 (180deg=-1.49!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 171:sc= 0.288 (180deg=0.253) USER MOD Single : B 5 SER OG : rot 90:sc= 0.442 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.283 -18.454 7.403 1.00 0.00 N ATOM 2 CA ARG A 1 -6.836 -17.262 8.184 1.00 0.00 C ATOM 3 C ARG A 1 -5.309 -17.195 8.227 1.00 0.00 C ATOM 4 O ARG A 1 -4.622 -18.068 7.734 1.00 0.00 O ATOM 5 CB ARG A 1 -7.410 -17.460 9.590 1.00 0.00 C ATOM 6 CG ARG A 1 -6.788 -18.701 10.236 1.00 0.00 C ATOM 7 CD ARG A 1 -7.886 -19.528 10.907 1.00 0.00 C ATOM 8 NE ARG A 1 -7.370 -19.809 12.276 1.00 0.00 N ATOM 9 CZ ARG A 1 -8.133 -20.405 13.150 1.00 0.00 C ATOM 10 NH1 ARG A 1 -8.353 -21.689 13.055 1.00 0.00 N ATOM 11 NH2 ARG A 1 -8.673 -19.720 14.118 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.645 -18.147 6.478 1.00 0.00 H new ATOM 0 H2 ARG A 1 -6.479 -19.099 7.264 1.00 0.00 H new ATOM 0 H3 ARG A 1 -8.036 -18.947 7.923 1.00 0.00 H new ATOM 0 HA ARG A 1 -7.179 -16.329 7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -7.208 -16.581 10.202 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -8.493 -17.570 9.538 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -6.276 -19.299 9.482 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -6.039 -18.406 10.971 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -8.827 -18.979 10.944 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -8.076 -20.451 10.359 1.00 0.00 H new ATOM 0 HE ARG A 1 -6.421 -19.535 12.530 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -7.928 -22.225 12.298 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -8.949 -22.156 13.738 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -8.499 -18.718 14.192 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -9.270 -20.186 14.801 1.00 0.00 H new ATOM 27 N ARG A 2 -4.777 -16.155 8.802 1.00 0.00 N ATOM 28 CA ARG A 2 -3.298 -16.010 8.870 1.00 0.00 C ATOM 29 C ARG A 2 -2.931 -14.986 9.951 1.00 0.00 C ATOM 30 O ARG A 2 -3.644 -14.029 10.177 1.00 0.00 O ATOM 31 CB ARG A 2 -2.911 -15.512 7.470 1.00 0.00 C ATOM 32 CG ARG A 2 -1.455 -15.036 7.448 1.00 0.00 C ATOM 33 CD ARG A 2 -0.642 -15.930 6.517 1.00 0.00 C ATOM 34 NE ARG A 2 0.721 -15.942 7.114 1.00 0.00 N ATOM 35 CZ ARG A 2 1.282 -17.073 7.444 1.00 0.00 C ATOM 36 NH1 ARG A 2 1.022 -18.157 6.763 1.00 0.00 N ATOM 37 NH2 ARG A 2 2.107 -17.121 8.455 1.00 0.00 N ATOM 0 H ARG A 2 -5.306 -15.395 9.230 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.779 -16.933 9.130 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.048 -16.313 6.743 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.570 -14.696 7.174 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.405 -14.001 7.111 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -1.037 -15.064 8.454 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.062 -16.935 6.464 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.627 -15.537 5.501 1.00 0.00 H new ATOM 0 HE ARG A 2 1.218 -15.064 7.266 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.379 -18.120 5.972 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.462 -19.040 7.023 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.313 -16.275 8.986 1.00 0.00 H new ATOM 0 HH22 ARG A 2 2.546 -18.005 8.714 1.00 0.00 H new ATOM 51 N ARG A 3 -1.825 -15.176 10.615 1.00 0.00 N ATOM 52 CA ARG A 3 -1.418 -14.207 11.674 1.00 0.00 C ATOM 53 C ARG A 3 -0.054 -13.603 11.332 1.00 0.00 C ATOM 54 O ARG A 3 0.903 -14.310 11.088 1.00 0.00 O ATOM 55 CB ARG A 3 -1.336 -15.032 12.959 1.00 0.00 C ATOM 56 CG ARG A 3 -2.743 -15.260 13.512 1.00 0.00 C ATOM 57 CD ARG A 3 -3.158 -16.712 13.266 1.00 0.00 C ATOM 58 NE ARG A 3 -2.706 -17.450 14.476 1.00 0.00 N ATOM 59 CZ ARG A 3 -3.483 -18.344 15.023 1.00 0.00 C ATOM 60 NH1 ARG A 3 -4.394 -17.977 15.882 1.00 0.00 N ATOM 61 NH2 ARG A 3 -3.349 -19.603 14.711 1.00 0.00 N ATOM 0 H ARG A 3 -1.186 -15.958 10.472 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.119 -13.378 11.771 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.853 -15.989 12.759 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.724 -14.514 13.697 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.766 -15.040 14.579 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.449 -14.582 13.031 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.236 -16.797 13.131 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.692 -17.109 12.364 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.789 -17.257 14.878 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.498 -16.992 16.125 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.002 -18.675 16.310 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.637 -19.889 14.039 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.956 -20.302 15.139 1.00 0.00 H new ATOM 75 N VAL A 4 0.044 -12.301 11.307 1.00 0.00 N ATOM 76 CA VAL A 4 1.350 -11.665 10.973 1.00 0.00 C ATOM 77 C VAL A 4 1.814 -10.758 12.116 1.00 0.00 C ATOM 78 O VAL A 4 1.023 -10.235 12.875 1.00 0.00 O ATOM 79 CB VAL A 4 1.074 -10.843 9.708 1.00 0.00 C ATOM 80 CG1 VAL A 4 2.278 -9.950 9.387 1.00 0.00 C ATOM 81 CG2 VAL A 4 0.825 -11.792 8.534 1.00 0.00 C ATOM 0 H VAL A 4 -0.720 -11.654 11.502 1.00 0.00 H new ATOM 0 HA VAL A 4 2.140 -12.401 10.820 1.00 0.00 H new ATOM 0 HB VAL A 4 0.198 -10.217 9.874 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.072 -9.371 8.487 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.461 -9.272 10.221 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.159 -10.571 9.224 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.628 -11.212 7.632 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.704 -12.417 8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.035 -12.424 8.753 1.00 0.00 H new ATOM 91 N THR A 5 3.098 -10.560 12.227 1.00 0.00 N ATOM 92 CA THR A 5 3.633 -9.679 13.300 1.00 0.00 C ATOM 93 C THR A 5 4.765 -8.822 12.739 1.00 0.00 C ATOM 94 O THR A 5 5.837 -9.310 12.443 1.00 0.00 O ATOM 95 CB THR A 5 4.161 -10.628 14.377 1.00 0.00 C ATOM 96 OG1 THR A 5 3.086 -11.400 14.893 1.00 0.00 O ATOM 97 CG2 THR A 5 4.799 -9.817 15.508 1.00 0.00 C ATOM 0 H THR A 5 3.803 -10.973 11.617 1.00 0.00 H new ATOM 0 HA THR A 5 2.878 -9.002 13.699 1.00 0.00 H new ATOM 0 HB THR A 5 4.909 -11.291 13.942 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.423 -12.010 15.582 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.175 -10.495 16.275 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.624 -9.225 15.111 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.053 -9.153 15.945 1.00 0.00 H new ATOM 105 N VAL A 6 4.541 -7.548 12.592 1.00 0.00 N ATOM 106 CA VAL A 6 5.613 -6.667 12.051 1.00 0.00 C ATOM 107 C VAL A 6 6.296 -5.919 13.196 1.00 0.00 C ATOM 108 O VAL A 6 5.658 -5.254 13.987 1.00 0.00 O ATOM 109 CB VAL A 6 4.904 -5.694 11.107 1.00 0.00 C ATOM 110 CG1 VAL A 6 5.938 -4.771 10.460 1.00 0.00 C ATOM 111 CG2 VAL A 6 4.174 -6.482 10.021 1.00 0.00 C ATOM 0 H VAL A 6 3.665 -7.079 12.822 1.00 0.00 H new ATOM 0 HA VAL A 6 6.388 -7.229 11.530 1.00 0.00 H new ATOM 0 HB VAL A 6 4.185 -5.098 11.669 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.435 -4.077 9.787 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.461 -4.211 11.235 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.656 -5.367 9.896 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.668 -5.790 9.347 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.893 -7.077 9.458 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.439 -7.142 10.482 1.00 0.00 H new ATOM 121 N ARG A 7 7.591 -6.029 13.296 1.00 0.00 N ATOM 122 CA ARG A 7 8.314 -5.331 14.397 1.00 0.00 C ATOM 123 C ARG A 7 8.930 -4.025 13.884 1.00 0.00 C ATOM 124 O ARG A 7 10.004 -4.015 13.315 1.00 0.00 O ATOM 125 CB ARG A 7 9.405 -6.306 14.835 1.00 0.00 C ATOM 126 CG ARG A 7 8.817 -7.328 15.811 1.00 0.00 C ATOM 127 CD ARG A 7 9.909 -8.310 16.240 1.00 0.00 C ATOM 128 NE ARG A 7 9.531 -8.723 17.621 1.00 0.00 N ATOM 129 CZ ARG A 7 9.732 -7.910 18.621 1.00 0.00 C ATOM 130 NH1 ARG A 7 10.906 -7.367 18.793 1.00 0.00 N ATOM 131 NH2 ARG A 7 8.760 -7.640 19.449 1.00 0.00 N ATOM 0 H ARG A 7 8.180 -6.571 12.664 1.00 0.00 H new ATOM 0 HA ARG A 7 7.652 -5.064 15.221 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.822 -6.815 13.966 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.223 -5.764 15.309 1.00 0.00 H new ATOM 0 HG2 ARG A 7 8.407 -6.819 16.684 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.994 -7.866 15.340 1.00 0.00 H new ATOM 0 HD2 ARG A 7 9.955 -9.168 15.569 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.892 -7.840 16.223 1.00 0.00 H new ATOM 0 HE ARG A 7 9.116 -9.640 17.784 1.00 0.00 H new ATOM 0 HH11 ARG A 7 11.665 -7.578 18.146 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.064 -6.731 19.575 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.843 -8.065 19.314 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.918 -7.004 20.231 1.00 0.00 H new ATOM 145 N LYS A 8 8.259 -2.925 14.086 1.00 0.00 N ATOM 146 CA LYS A 8 8.802 -1.617 13.615 1.00 0.00 C ATOM 147 C LYS A 8 10.233 -1.425 14.128 1.00 0.00 C ATOM 148 O LYS A 8 10.452 -1.085 15.273 1.00 0.00 O ATOM 149 CB LYS A 8 7.870 -0.564 14.218 1.00 0.00 C ATOM 150 CG LYS A 8 6.849 -0.120 13.167 1.00 0.00 C ATOM 151 CD LYS A 8 6.899 1.402 13.022 1.00 0.00 C ATOM 152 CE LYS A 8 5.487 1.937 12.776 1.00 0.00 C ATOM 153 NZ LYS A 8 5.473 3.289 13.405 1.00 0.00 N ATOM 0 H LYS A 8 7.356 -2.874 14.558 1.00 0.00 H new ATOM 0 HA LYS A 8 8.843 -1.552 12.528 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.357 -0.973 15.088 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.448 0.293 14.563 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.066 -0.595 12.210 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.848 -0.436 13.460 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.318 1.850 13.923 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.553 1.678 12.195 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.267 1.995 11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.735 1.286 13.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.517 3.693 13.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.745 3.209 14.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.147 3.909 12.911 1.00 0.00 H new ATOM 167 N ALA A 9 11.208 -1.643 13.288 1.00 0.00 N ATOM 168 CA ALA A 9 12.624 -1.474 13.726 1.00 0.00 C ATOM 169 C ALA A 9 13.383 -0.580 12.740 1.00 0.00 C ATOM 170 O ALA A 9 13.508 -0.893 11.572 1.00 0.00 O ATOM 171 CB ALA A 9 13.211 -2.887 13.727 1.00 0.00 C ATOM 0 H ALA A 9 11.086 -1.931 12.317 1.00 0.00 H new ATOM 0 HA ALA A 9 12.697 -1.000 14.705 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.255 -2.847 14.039 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.649 -3.514 14.419 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.149 -3.308 12.723 1.00 0.00 H new ATOM 177 N ASP A 10 13.889 0.532 13.202 1.00 0.00 N ATOM 178 CA ASP A 10 14.639 1.449 12.293 1.00 0.00 C ATOM 179 C ASP A 10 13.794 1.795 11.063 1.00 0.00 C ATOM 180 O ASP A 10 14.312 2.187 10.036 1.00 0.00 O ATOM 181 CB ASP A 10 15.887 0.667 11.880 1.00 0.00 C ATOM 182 CG ASP A 10 17.137 1.495 12.186 1.00 0.00 C ATOM 183 OD1 ASP A 10 17.276 1.924 13.321 1.00 0.00 O ATOM 184 OD2 ASP A 10 17.934 1.686 11.282 1.00 0.00 O ATOM 0 H ASP A 10 13.816 0.846 14.170 1.00 0.00 H new ATOM 0 HA ASP A 10 14.888 2.392 12.780 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.927 -0.282 12.415 1.00 0.00 H new ATOM 0 HB3 ASP A 10 15.846 0.432 10.816 1.00 0.00 H new ATOM 189 N ALA A 11 12.501 1.655 11.155 1.00 0.00 N ATOM 190 CA ALA A 11 11.634 1.978 9.986 1.00 0.00 C ATOM 191 C ALA A 11 10.328 2.620 10.457 1.00 0.00 C ATOM 192 O ALA A 11 9.322 1.959 10.618 1.00 0.00 O ATOM 193 CB ALA A 11 11.357 0.634 9.312 1.00 0.00 C ATOM 0 H ALA A 11 12.007 1.332 11.987 1.00 0.00 H new ATOM 0 HA ALA A 11 12.108 2.685 9.305 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.722 0.789 8.439 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.299 0.182 9.000 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.852 -0.028 10.015 1.00 0.00 H new ATOM 199 N GLY A 12 10.335 3.907 10.679 1.00 0.00 N ATOM 200 CA GLY A 12 9.093 4.594 11.141 1.00 0.00 C ATOM 201 C GLY A 12 7.929 4.247 10.206 1.00 0.00 C ATOM 202 O GLY A 12 6.823 4.002 10.644 1.00 0.00 O ATOM 0 H GLY A 12 11.147 4.513 10.561 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.856 4.289 12.160 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.248 5.673 11.159 1.00 0.00 H new ATOM 206 N GLY A 13 8.168 4.223 8.922 1.00 0.00 N ATOM 207 CA GLY A 13 7.072 3.890 7.970 1.00 0.00 C ATOM 208 C GLY A 13 6.844 2.377 7.965 1.00 0.00 C ATOM 209 O GLY A 13 7.729 1.605 8.277 1.00 0.00 O ATOM 0 H GLY A 13 9.073 4.419 8.493 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.156 4.406 8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.329 4.233 6.968 1.00 0.00 H new ATOM 213 N LEU A 14 5.663 1.948 7.615 1.00 0.00 N ATOM 214 CA LEU A 14 5.377 0.484 7.591 1.00 0.00 C ATOM 215 C LEU A 14 5.325 -0.028 6.148 1.00 0.00 C ATOM 216 O LEU A 14 5.381 -1.216 5.901 1.00 0.00 O ATOM 217 CB LEU A 14 4.007 0.339 8.251 1.00 0.00 C ATOM 218 CG LEU A 14 4.039 -0.803 9.268 1.00 0.00 C ATOM 219 CD1 LEU A 14 2.881 -0.632 10.252 1.00 0.00 C ATOM 220 CD2 LEU A 14 3.890 -2.140 8.541 1.00 0.00 C ATOM 0 H LEU A 14 4.883 2.547 7.344 1.00 0.00 H new ATOM 0 HA LEU A 14 6.147 -0.091 8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.731 1.270 8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.248 0.143 7.494 1.00 0.00 H new ATOM 0 HG LEU A 14 4.987 -0.786 9.806 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.899 -1.444 10.979 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.981 0.322 10.770 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.936 -0.652 9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.913 -2.953 9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.941 -2.159 8.005 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.710 -2.262 7.833 1.00 0.00 H new ATOM 232 N GLY A 15 5.206 0.856 5.190 1.00 0.00 N ATOM 233 CA GLY A 15 5.137 0.405 3.772 1.00 0.00 C ATOM 234 C GLY A 15 3.969 -0.568 3.625 1.00 0.00 C ATOM 235 O GLY A 15 4.127 -1.766 3.750 1.00 0.00 O ATOM 0 H GLY A 15 5.154 1.865 5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.002 1.260 3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.070 -0.078 3.483 1.00 0.00 H new ATOM 239 N ILE A 16 2.789 -0.065 3.385 1.00 0.00 N ATOM 240 CA ILE A 16 1.609 -0.973 3.261 1.00 0.00 C ATOM 241 C ILE A 16 0.363 -0.182 2.842 1.00 0.00 C ATOM 242 O ILE A 16 -0.120 0.667 3.565 1.00 0.00 O ATOM 243 CB ILE A 16 1.435 -1.579 4.666 1.00 0.00 C ATOM 244 CG1 ILE A 16 0.108 -2.337 4.753 1.00 0.00 C ATOM 245 CG2 ILE A 16 1.450 -0.471 5.724 1.00 0.00 C ATOM 246 CD1 ILE A 16 0.052 -3.112 6.068 1.00 0.00 C ATOM 0 H ILE A 16 2.589 0.929 3.270 1.00 0.00 H new ATOM 0 HA ILE A 16 1.751 -1.741 2.501 1.00 0.00 H new ATOM 0 HB ILE A 16 2.260 -2.268 4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.727 -1.639 4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.012 -3.022 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.326 -0.911 6.713 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.400 0.061 5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.634 0.226 5.532 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.892 -3.653 6.132 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.879 -3.821 6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.129 -2.417 6.904 1.00 0.00 H new ATOM 258 N SER A 17 -0.166 -0.463 1.681 1.00 0.00 N ATOM 259 CA SER A 17 -1.384 0.263 1.223 1.00 0.00 C ATOM 260 C SER A 17 -2.600 -0.669 1.295 1.00 0.00 C ATOM 261 O SER A 17 -2.834 -1.474 0.416 1.00 0.00 O ATOM 262 CB SER A 17 -1.079 0.677 -0.223 1.00 0.00 C ATOM 263 OG SER A 17 -2.214 0.457 -1.051 1.00 0.00 O ATOM 0 H SER A 17 0.193 -1.163 1.032 1.00 0.00 H new ATOM 0 HA SER A 17 -1.619 1.130 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.796 1.729 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.230 0.107 -0.600 1.00 0.00 H new ATOM 0 HG SER A 17 -2.497 -0.478 -0.977 1.00 0.00 H new ATOM 269 N ILE A 18 -3.369 -0.566 2.343 1.00 0.00 N ATOM 270 CA ILE A 18 -4.565 -1.444 2.484 1.00 0.00 C ATOM 271 C ILE A 18 -5.681 -0.987 1.547 1.00 0.00 C ATOM 272 O ILE A 18 -5.828 0.186 1.273 1.00 0.00 O ATOM 273 CB ILE A 18 -4.986 -1.305 3.944 1.00 0.00 C ATOM 274 CG1 ILE A 18 -5.357 0.148 4.241 1.00 0.00 C ATOM 275 CG2 ILE A 18 -3.824 -1.728 4.845 1.00 0.00 C ATOM 276 CD1 ILE A 18 -6.055 0.214 5.597 1.00 0.00 C ATOM 0 H ILE A 18 -3.221 0.090 3.110 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.349 -2.480 2.221 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.851 -1.941 4.133 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.463 0.771 4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.012 0.537 3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.119 -1.631 5.890 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.562 -2.765 4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.962 -1.090 4.651 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.324 1.247 5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.957 -0.398 5.572 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.384 -0.160 6.370 1.00 0.00 H new ATOM 288 N LYS A 19 -6.465 -1.905 1.044 1.00 0.00 N ATOM 289 CA LYS A 19 -7.565 -1.513 0.116 1.00 0.00 C ATOM 290 C LYS A 19 -8.874 -2.203 0.515 1.00 0.00 C ATOM 291 O LYS A 19 -8.987 -3.413 0.474 1.00 0.00 O ATOM 292 CB LYS A 19 -7.099 -1.993 -1.260 1.00 0.00 C ATOM 293 CG LYS A 19 -8.132 -1.608 -2.321 1.00 0.00 C ATOM 294 CD LYS A 19 -7.658 -2.099 -3.690 1.00 0.00 C ATOM 295 CE LYS A 19 -7.623 -0.925 -4.671 1.00 0.00 C ATOM 296 NZ LYS A 19 -7.253 -1.532 -5.980 1.00 0.00 N ATOM 0 H LYS A 19 -6.391 -2.904 1.235 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.761 -0.441 0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.133 -1.550 -1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.960 -3.074 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.100 -2.048 -2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.268 -0.527 -2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.667 -2.545 -3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.326 -2.876 -4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.591 -0.427 -4.726 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.895 -0.174 -4.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.208 -0.789 -6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.324 -1.993 -5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.968 -2.238 -6.250 1.00 0.00 H new ATOM 310 N GLY A 20 -9.863 -1.444 0.901 1.00 0.00 N ATOM 311 CA GLY A 20 -11.164 -2.053 1.301 1.00 0.00 C ATOM 312 C GLY A 20 -11.927 -1.075 2.194 1.00 0.00 C ATOM 313 O GLY A 20 -11.657 0.110 2.204 1.00 0.00 O ATOM 0 H GLY A 20 -9.826 -0.426 0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.754 -2.292 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.992 -2.990 1.832 1.00 0.00 H new ATOM 317 N GLY A 21 -12.877 -1.558 2.948 1.00 0.00 N ATOM 318 CA GLY A 21 -13.650 -0.649 3.838 1.00 0.00 C ATOM 319 C GLY A 21 -14.939 -1.338 4.286 1.00 0.00 C ATOM 320 O GLY A 21 -15.643 -1.936 3.498 1.00 0.00 O ATOM 0 H GLY A 21 -13.150 -2.540 2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.050 -0.379 4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.885 0.277 3.313 1.00 0.00 H new ATOM 324 N ARG A 22 -15.249 -1.257 5.551 1.00 0.00 N ATOM 325 CA ARG A 22 -16.490 -1.906 6.061 1.00 0.00 C ATOM 326 C ARG A 22 -17.732 -1.321 5.376 1.00 0.00 C ATOM 327 O ARG A 22 -18.804 -1.889 5.436 1.00 0.00 O ATOM 328 CB ARG A 22 -16.503 -1.604 7.560 1.00 0.00 C ATOM 329 CG ARG A 22 -17.633 -2.386 8.229 1.00 0.00 C ATOM 330 CD ARG A 22 -17.038 -3.363 9.245 1.00 0.00 C ATOM 331 NE ARG A 22 -17.774 -4.639 9.026 1.00 0.00 N ATOM 332 CZ ARG A 22 -17.482 -5.394 8.003 1.00 0.00 C ATOM 333 NH1 ARG A 22 -16.336 -6.019 7.960 1.00 0.00 N ATOM 334 NH2 ARG A 22 -18.332 -5.521 7.023 1.00 0.00 N ATOM 0 H ARG A 22 -14.695 -0.768 6.255 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.505 -2.977 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.546 -1.876 8.005 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.639 -0.535 7.725 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.321 -1.701 8.725 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.209 -2.929 7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.967 -3.493 9.088 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.169 -3.001 10.265 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.507 -4.923 9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.670 -5.917 8.726 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.107 -6.610 7.161 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.225 -5.030 7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.104 -6.111 6.223 1.00 0.00 H new ATOM 348 N GLU A 23 -17.600 -0.199 4.715 1.00 0.00 N ATOM 349 CA GLU A 23 -18.782 0.394 4.024 1.00 0.00 C ATOM 350 C GLU A 23 -18.973 -0.260 2.648 1.00 0.00 C ATOM 351 O GLU A 23 -19.819 0.140 1.875 1.00 0.00 O ATOM 352 CB GLU A 23 -18.451 1.884 3.875 1.00 0.00 C ATOM 353 CG GLU A 23 -17.152 2.043 3.081 1.00 0.00 C ATOM 354 CD GLU A 23 -17.407 2.933 1.862 1.00 0.00 C ATOM 355 OE1 GLU A 23 -17.341 4.142 2.014 1.00 0.00 O ATOM 356 OE2 GLU A 23 -17.663 2.391 0.800 1.00 0.00 O ATOM 0 H GLU A 23 -16.731 0.328 4.625 1.00 0.00 H new ATOM 0 HA GLU A 23 -19.707 0.239 4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -19.266 2.399 3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.347 2.344 4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -16.379 2.483 3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.786 1.067 2.762 1.00 0.00 H new ATOM 363 N ASN A 24 -18.194 -1.266 2.337 1.00 0.00 N ATOM 364 CA ASN A 24 -18.333 -1.942 1.019 1.00 0.00 C ATOM 365 C ASN A 24 -18.151 -3.450 1.198 1.00 0.00 C ATOM 366 O ASN A 24 -17.759 -4.152 0.287 1.00 0.00 O ATOM 367 CB ASN A 24 -17.206 -1.365 0.159 1.00 0.00 C ATOM 368 CG ASN A 24 -17.783 -0.373 -0.854 1.00 0.00 C ATOM 369 OD1 ASN A 24 -18.984 -0.250 -0.990 1.00 0.00 O ATOM 370 ND2 ASN A 24 -16.970 0.347 -1.577 1.00 0.00 N ATOM 0 H ASN A 24 -17.467 -1.646 2.943 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.311 -1.783 0.564 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -16.472 -0.867 0.792 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -16.685 -2.169 -0.361 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.343 1.012 -2.255 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -15.961 0.245 -1.464 1.00 0.00 H new ATOM 377 N LYS A 25 -18.426 -3.952 2.373 1.00 0.00 N ATOM 378 CA LYS A 25 -18.260 -5.414 2.618 1.00 0.00 C ATOM 379 C LYS A 25 -16.835 -5.837 2.256 1.00 0.00 C ATOM 380 O LYS A 25 -16.575 -6.312 1.169 1.00 0.00 O ATOM 381 CB LYS A 25 -19.275 -6.095 1.697 1.00 0.00 C ATOM 382 CG LYS A 25 -20.613 -6.229 2.425 1.00 0.00 C ATOM 383 CD LYS A 25 -21.448 -4.968 2.197 1.00 0.00 C ATOM 384 CE LYS A 25 -22.734 -5.053 3.022 1.00 0.00 C ATOM 385 NZ LYS A 25 -23.763 -5.555 2.069 1.00 0.00 N ATOM 0 H LYS A 25 -18.758 -3.413 3.173 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.423 -5.683 3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.402 -5.513 0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.910 -7.078 1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -21.151 -7.104 2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.445 -6.379 3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -20.877 -4.084 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.688 -4.864 1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -22.617 -5.728 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -23.010 -4.079 3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -24.677 -5.641 2.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -23.857 -4.888 1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.475 -6.486 1.706 1.00 0.00 H new ATOM 399 N MET A 26 -15.907 -5.656 3.155 1.00 0.00 N ATOM 400 CA MET A 26 -14.498 -6.035 2.853 1.00 0.00 C ATOM 401 C MET A 26 -13.646 -5.987 4.136 1.00 0.00 C ATOM 402 O MET A 26 -13.627 -4.982 4.818 1.00 0.00 O ATOM 403 CB MET A 26 -14.028 -4.971 1.856 1.00 0.00 C ATOM 404 CG MET A 26 -13.499 -5.640 0.581 1.00 0.00 C ATOM 405 SD MET A 26 -11.742 -5.255 0.379 1.00 0.00 S ATOM 406 CE MET A 26 -11.223 -5.738 2.042 1.00 0.00 C ATOM 0 H MET A 26 -16.063 -5.263 4.083 1.00 0.00 H new ATOM 0 HA MET A 26 -14.409 -7.046 2.456 1.00 0.00 H new ATOM 0 HB2 MET A 26 -14.853 -4.303 1.610 1.00 0.00 H new ATOM 0 HB3 MET A 26 -13.246 -4.360 2.306 1.00 0.00 H new ATOM 0 HG2 MET A 26 -13.641 -6.719 0.638 1.00 0.00 H new ATOM 0 HG3 MET A 26 -14.060 -5.290 -0.285 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.188 -6.078 2.016 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.307 -4.883 2.712 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.861 -6.545 2.402 1.00 0.00 H new ATOM 416 N PRO A 27 -12.959 -7.073 4.424 1.00 0.00 N ATOM 417 CA PRO A 27 -12.094 -7.133 5.639 1.00 0.00 C ATOM 418 C PRO A 27 -10.774 -6.368 5.444 1.00 0.00 C ATOM 419 O PRO A 27 -9.724 -6.870 5.793 1.00 0.00 O ATOM 420 CB PRO A 27 -11.783 -8.618 5.782 1.00 0.00 C ATOM 421 CG PRO A 27 -11.905 -9.175 4.399 1.00 0.00 C ATOM 422 CD PRO A 27 -12.933 -8.340 3.672 1.00 0.00 C ATOM 0 HA PRO A 27 -12.587 -6.687 6.503 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.782 -8.775 6.183 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.480 -9.103 6.466 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.945 -9.139 3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.211 -10.221 4.431 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.654 -8.180 2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.910 -8.823 3.669 1.00 0.00 H new ATOM 430 N ILE A 28 -10.802 -5.172 4.904 1.00 0.00 N ATOM 431 CA ILE A 28 -9.522 -4.400 4.700 1.00 0.00 C ATOM 432 C ILE A 28 -8.435 -5.318 4.104 1.00 0.00 C ATOM 433 O ILE A 28 -7.700 -5.957 4.826 1.00 0.00 O ATOM 434 CB ILE A 28 -9.095 -3.927 6.099 1.00 0.00 C ATOM 435 CG1 ILE A 28 -10.293 -3.348 6.871 1.00 0.00 C ATOM 436 CG2 ILE A 28 -8.018 -2.850 5.960 1.00 0.00 C ATOM 437 CD1 ILE A 28 -10.924 -2.198 6.082 1.00 0.00 C ATOM 0 H ILE A 28 -11.649 -4.694 4.595 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.662 -3.566 4.012 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.705 -4.782 6.651 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.034 -4.128 7.046 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.968 -2.993 7.849 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.712 -2.511 6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.156 -3.263 5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.417 -2.007 5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.771 -1.796 6.639 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.184 -1.412 5.930 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.267 -2.565 5.115 1.00 0.00 H new ATOM 449 N LEU A 29 -8.342 -5.409 2.802 1.00 0.00 N ATOM 450 CA LEU A 29 -7.323 -6.315 2.191 1.00 0.00 C ATOM 451 C LEU A 29 -6.127 -5.536 1.646 1.00 0.00 C ATOM 452 O LEU A 29 -6.270 -4.612 0.871 1.00 0.00 O ATOM 453 CB LEU A 29 -8.065 -7.026 1.054 1.00 0.00 C ATOM 454 CG LEU A 29 -7.179 -8.120 0.470 1.00 0.00 C ATOM 455 CD1 LEU A 29 -6.900 -9.160 1.548 1.00 0.00 C ATOM 456 CD2 LEU A 29 -7.896 -8.793 -0.700 1.00 0.00 C ATOM 0 H LEU A 29 -8.924 -4.898 2.138 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.915 -7.010 2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.994 -7.457 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.334 -6.309 0.278 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.244 -7.683 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.266 -9.947 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.393 -8.686 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.841 -9.592 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.260 -9.575 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.830 -9.233 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.110 -8.052 -1.470 1.00 0.00 H new ATOM 468 N ILE A 30 -4.939 -5.919 2.041 1.00 0.00 N ATOM 469 CA ILE A 30 -3.726 -5.219 1.537 1.00 0.00 C ATOM 470 C ILE A 30 -3.632 -5.377 0.021 1.00 0.00 C ATOM 471 O ILE A 30 -3.851 -6.445 -0.516 1.00 0.00 O ATOM 472 CB ILE A 30 -2.551 -5.906 2.226 1.00 0.00 C ATOM 473 CG1 ILE A 30 -2.646 -5.669 3.734 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.235 -5.326 1.701 1.00 0.00 C ATOM 475 CD1 ILE A 30 -1.464 -6.343 4.428 1.00 0.00 C ATOM 0 H ILE A 30 -4.760 -6.685 2.690 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.744 -4.150 1.748 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.581 -6.976 2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.645 -4.600 3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.584 -6.070 4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.398 -5.819 2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.169 -5.489 0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.200 -4.256 1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.529 -6.175 5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.486 -7.414 4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.532 -5.921 4.051 1.00 0.00 H new ATOM 487 N SER A 31 -3.318 -4.323 -0.676 1.00 0.00 N ATOM 488 CA SER A 31 -3.224 -4.422 -2.162 1.00 0.00 C ATOM 489 C SER A 31 -1.821 -4.047 -2.642 1.00 0.00 C ATOM 490 O SER A 31 -1.428 -4.372 -3.746 1.00 0.00 O ATOM 491 CB SER A 31 -4.257 -3.427 -2.689 1.00 0.00 C ATOM 492 OG SER A 31 -4.351 -3.545 -4.101 1.00 0.00 O ATOM 0 H SER A 31 -3.123 -3.401 -0.286 1.00 0.00 H new ATOM 0 HA SER A 31 -3.412 -5.435 -2.517 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.228 -3.618 -2.232 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.971 -2.411 -2.417 1.00 0.00 H new ATOM 0 HG SER A 31 -4.598 -2.678 -4.486 1.00 0.00 H new ATOM 498 N LYS A 32 -1.059 -3.368 -1.832 1.00 0.00 N ATOM 499 CA LYS A 32 0.314 -2.981 -2.260 1.00 0.00 C ATOM 500 C LYS A 32 1.278 -3.025 -1.073 1.00 0.00 C ATOM 501 O LYS A 32 1.276 -2.155 -0.225 1.00 0.00 O ATOM 502 CB LYS A 32 0.176 -1.554 -2.789 1.00 0.00 C ATOM 503 CG LYS A 32 0.827 -1.457 -4.169 1.00 0.00 C ATOM 504 CD LYS A 32 1.621 -0.152 -4.267 1.00 0.00 C ATOM 505 CE LYS A 32 0.885 0.826 -5.187 1.00 0.00 C ATOM 506 NZ LYS A 32 -0.375 1.157 -4.465 1.00 0.00 N ATOM 0 H LYS A 32 -1.326 -3.065 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 32 0.715 -3.659 -3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.877 -1.278 -2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.649 -0.853 -2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.486 -2.310 -4.333 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.064 -1.490 -4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.744 0.286 -3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.620 -0.350 -4.654 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.481 1.720 -5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.678 0.375 -6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.629 2.149 -4.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.140 0.536 -4.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.237 1.017 -3.444 1.00 0.00 H new ATOM 520 N ILE A 33 2.107 -4.029 -1.013 1.00 0.00 N ATOM 521 CA ILE A 33 3.080 -4.130 0.111 1.00 0.00 C ATOM 522 C ILE A 33 4.398 -3.467 -0.304 1.00 0.00 C ATOM 523 O ILE A 33 5.206 -4.043 -1.005 1.00 0.00 O ATOM 524 CB ILE A 33 3.243 -5.639 0.349 1.00 0.00 C ATOM 525 CG1 ILE A 33 2.020 -6.157 1.105 1.00 0.00 C ATOM 526 CG2 ILE A 33 4.496 -5.928 1.178 1.00 0.00 C ATOM 527 CD1 ILE A 33 1.892 -5.432 2.447 1.00 0.00 C ATOM 0 H ILE A 33 2.153 -4.786 -1.695 1.00 0.00 H new ATOM 0 HA ILE A 33 2.753 -3.626 1.021 1.00 0.00 H new ATOM 0 HB ILE A 33 3.339 -6.136 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.120 -6.000 0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.111 -7.231 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.590 -7.003 1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.375 -5.560 0.649 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.417 -5.428 2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.018 -5.806 2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.786 -5.611 3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.780 -4.362 2.273 1.00 0.00 H new ATOM 539 N PHE A 34 4.608 -2.254 0.120 1.00 0.00 N ATOM 540 CA PHE A 34 5.859 -1.533 -0.246 1.00 0.00 C ATOM 541 C PHE A 34 7.082 -2.304 0.257 1.00 0.00 C ATOM 542 O PHE A 34 7.107 -2.796 1.368 1.00 0.00 O ATOM 543 CB PHE A 34 5.742 -0.173 0.444 1.00 0.00 C ATOM 544 CG PHE A 34 4.628 0.617 -0.200 1.00 0.00 C ATOM 545 CD1 PHE A 34 3.316 0.498 0.272 1.00 0.00 C ATOM 546 CD2 PHE A 34 4.907 1.462 -1.281 1.00 0.00 C ATOM 547 CE1 PHE A 34 2.287 1.222 -0.335 1.00 0.00 C ATOM 548 CE2 PHE A 34 3.876 2.185 -1.889 1.00 0.00 C ATOM 549 CZ PHE A 34 2.566 2.064 -1.416 1.00 0.00 C ATOM 0 H PHE A 34 3.963 -1.727 0.708 1.00 0.00 H new ATOM 0 HA PHE A 34 5.982 -1.429 -1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.541 -0.307 1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.683 0.371 0.364 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.099 -0.154 1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.919 1.555 -1.646 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.275 1.131 0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.092 2.836 -2.723 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.769 2.621 -1.886 1.00 0.00 H new ATOM 559 N LYS A 35 8.095 -2.420 -0.559 1.00 0.00 N ATOM 560 CA LYS A 35 9.314 -3.166 -0.138 1.00 0.00 C ATOM 561 C LYS A 35 10.207 -2.288 0.743 1.00 0.00 C ATOM 562 O LYS A 35 9.946 -1.119 0.939 1.00 0.00 O ATOM 563 CB LYS A 35 10.030 -3.519 -1.441 1.00 0.00 C ATOM 564 CG LYS A 35 9.308 -4.686 -2.119 1.00 0.00 C ATOM 565 CD LYS A 35 10.167 -5.217 -3.269 1.00 0.00 C ATOM 566 CE LYS A 35 9.763 -4.520 -4.571 1.00 0.00 C ATOM 567 NZ LYS A 35 11.002 -4.514 -5.400 1.00 0.00 N ATOM 0 H LYS A 35 8.130 -2.029 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 35 9.069 -4.051 0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.049 -2.654 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.067 -3.787 -1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.118 -5.479 -1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.339 -4.359 -2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.222 -5.039 -3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.038 -6.295 -3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.955 -5.054 -5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.408 -3.507 -4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.808 -4.052 -6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.751 -3.993 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.313 -5.492 -5.567 1.00 0.00 H new ATOM 581 N GLY A 36 11.257 -2.850 1.275 1.00 0.00 N ATOM 582 CA GLY A 36 12.165 -2.055 2.144 1.00 0.00 C ATOM 583 C GLY A 36 11.375 -1.496 3.328 1.00 0.00 C ATOM 584 O GLY A 36 11.703 -0.461 3.872 1.00 0.00 O ATOM 0 H GLY A 36 11.524 -3.826 1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.984 -2.680 2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.611 -1.241 1.574 1.00 0.00 H new ATOM 588 N LEU A 37 10.333 -2.172 3.735 1.00 0.00 N ATOM 589 CA LEU A 37 9.529 -1.670 4.884 1.00 0.00 C ATOM 590 C LEU A 37 9.174 -2.815 5.839 1.00 0.00 C ATOM 591 O LEU A 37 9.219 -3.976 5.483 1.00 0.00 O ATOM 592 CB LEU A 37 8.269 -1.071 4.261 1.00 0.00 C ATOM 593 CG LEU A 37 8.589 0.326 3.719 1.00 0.00 C ATOM 594 CD1 LEU A 37 8.103 0.436 2.274 1.00 0.00 C ATOM 595 CD2 LEU A 37 7.885 1.382 4.574 1.00 0.00 C ATOM 0 H LEU A 37 10.006 -3.046 3.323 1.00 0.00 H new ATOM 0 HA LEU A 37 10.077 -0.936 5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.907 -1.712 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.474 -1.012 5.004 1.00 0.00 H new ATOM 0 HG LEU A 37 9.666 0.489 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.331 1.430 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.605 -0.314 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.026 0.271 2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.114 2.375 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.808 1.219 4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.231 1.306 5.605 1.00 0.00 H new ATOM 607 N ALA A 38 8.828 -2.485 7.053 1.00 0.00 N ATOM 608 CA ALA A 38 8.475 -3.530 8.059 1.00 0.00 C ATOM 609 C ALA A 38 7.480 -4.546 7.488 1.00 0.00 C ATOM 610 O ALA A 38 7.727 -5.737 7.478 1.00 0.00 O ATOM 611 CB ALA A 38 7.825 -2.751 9.205 1.00 0.00 C ATOM 0 H ALA A 38 8.774 -1.526 7.396 1.00 0.00 H new ATOM 0 HA ALA A 38 9.350 -4.100 8.370 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.532 -3.443 9.995 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.536 -2.027 9.602 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.943 -2.228 8.835 1.00 0.00 H new ATOM 617 N ALA A 39 6.348 -4.089 7.040 1.00 0.00 N ATOM 618 CA ALA A 39 5.319 -5.024 6.500 1.00 0.00 C ATOM 619 C ALA A 39 5.902 -5.958 5.433 1.00 0.00 C ATOM 620 O ALA A 39 5.642 -7.145 5.432 1.00 0.00 O ATOM 621 CB ALA A 39 4.256 -4.117 5.884 1.00 0.00 C ATOM 0 H ALA A 39 6.087 -3.103 7.023 1.00 0.00 H new ATOM 0 HA ALA A 39 4.923 -5.672 7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.458 -4.727 5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.845 -3.464 6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.706 -3.512 5.097 1.00 0.00 H new ATOM 627 N ASP A 40 6.662 -5.438 4.510 1.00 0.00 N ATOM 628 CA ASP A 40 7.222 -6.312 3.438 1.00 0.00 C ATOM 629 C ASP A 40 8.524 -6.992 3.885 1.00 0.00 C ATOM 630 O ASP A 40 8.956 -7.958 3.286 1.00 0.00 O ATOM 631 CB ASP A 40 7.484 -5.376 2.260 1.00 0.00 C ATOM 632 CG ASP A 40 8.084 -6.177 1.100 1.00 0.00 C ATOM 633 OD1 ASP A 40 9.219 -6.608 1.231 1.00 0.00 O ATOM 634 OD2 ASP A 40 7.401 -6.344 0.105 1.00 0.00 O ATOM 0 H ASP A 40 6.919 -4.453 4.450 1.00 0.00 H new ATOM 0 HA ASP A 40 6.534 -7.119 3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.555 -4.899 1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.166 -4.580 2.558 1.00 0.00 H new ATOM 639 N GLN A 41 9.159 -6.507 4.919 1.00 0.00 N ATOM 640 CA GLN A 41 10.431 -7.154 5.364 1.00 0.00 C ATOM 641 C GLN A 41 10.180 -8.092 6.555 1.00 0.00 C ATOM 642 O GLN A 41 11.103 -8.527 7.214 1.00 0.00 O ATOM 643 CB GLN A 41 11.363 -5.994 5.755 1.00 0.00 C ATOM 644 CG GLN A 41 10.890 -5.343 7.059 1.00 0.00 C ATOM 645 CD GLN A 41 11.839 -5.730 8.194 1.00 0.00 C ATOM 646 OE1 GLN A 41 12.597 -6.672 8.073 1.00 0.00 O ATOM 647 NE2 GLN A 41 11.829 -5.039 9.302 1.00 0.00 N ATOM 0 H GLN A 41 8.859 -5.702 5.469 1.00 0.00 H new ATOM 0 HA GLN A 41 10.869 -7.772 4.580 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.382 -6.362 5.874 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.384 -5.251 4.957 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.862 -4.259 6.948 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.875 -5.666 7.292 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.193 -4.248 9.404 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.457 -5.290 10.065 1.00 0.00 H new ATOM 656 N THR A 42 8.944 -8.407 6.838 1.00 0.00 N ATOM 657 CA THR A 42 8.658 -9.317 7.987 1.00 0.00 C ATOM 658 C THR A 42 8.207 -10.698 7.489 1.00 0.00 C ATOM 659 O THR A 42 7.682 -11.492 8.244 1.00 0.00 O ATOM 660 CB THR A 42 7.534 -8.630 8.768 1.00 0.00 C ATOM 661 OG1 THR A 42 7.202 -9.415 9.905 1.00 0.00 O ATOM 662 CG2 THR A 42 6.302 -8.474 7.876 1.00 0.00 C ATOM 0 H THR A 42 8.125 -8.077 6.328 1.00 0.00 H new ATOM 0 HA THR A 42 9.541 -9.485 8.604 1.00 0.00 H new ATOM 0 HB THR A 42 7.869 -7.644 9.090 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.250 -10.366 9.672 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.506 -7.985 8.437 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.557 -7.869 7.006 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.963 -9.457 7.548 1.00 0.00 H new ATOM 670 N GLU A 43 8.414 -10.993 6.227 1.00 0.00 N ATOM 671 CA GLU A 43 8.004 -12.327 5.679 1.00 0.00 C ATOM 672 C GLU A 43 6.592 -12.704 6.144 1.00 0.00 C ATOM 673 O GLU A 43 6.364 -13.791 6.636 1.00 0.00 O ATOM 674 CB GLU A 43 9.031 -13.315 6.235 1.00 0.00 C ATOM 675 CG GLU A 43 10.104 -13.584 5.178 1.00 0.00 C ATOM 676 CD GLU A 43 11.416 -12.920 5.603 1.00 0.00 C ATOM 677 OE1 GLU A 43 12.053 -13.436 6.507 1.00 0.00 O ATOM 678 OE2 GLU A 43 11.761 -11.906 5.017 1.00 0.00 O ATOM 0 H GLU A 43 8.850 -10.366 5.551 1.00 0.00 H new ATOM 0 HA GLU A 43 7.979 -12.325 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.488 -12.911 7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.540 -14.247 6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.250 -14.657 5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.783 -13.195 4.212 1.00 0.00 H new ATOM 685 N ALA A 44 5.645 -11.817 5.999 1.00 0.00 N ATOM 686 CA ALA A 44 4.257 -12.141 6.440 1.00 0.00 C ATOM 687 C ALA A 44 3.266 -11.106 5.902 1.00 0.00 C ATOM 688 O ALA A 44 2.304 -11.447 5.244 1.00 0.00 O ATOM 689 CB ALA A 44 4.311 -12.090 7.962 1.00 0.00 C ATOM 0 H ALA A 44 5.770 -10.888 5.597 1.00 0.00 H new ATOM 0 HA ALA A 44 3.924 -13.111 6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.326 -12.318 8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.032 -12.823 8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.614 -11.093 8.282 1.00 0.00 H new ATOM 695 N LEU A 45 3.485 -9.845 6.165 1.00 0.00 N ATOM 696 CA LEU A 45 2.541 -8.822 5.638 1.00 0.00 C ATOM 697 C LEU A 45 2.698 -8.747 4.120 1.00 0.00 C ATOM 698 O LEU A 45 3.417 -7.923 3.591 1.00 0.00 O ATOM 699 CB LEU A 45 2.928 -7.503 6.305 1.00 0.00 C ATOM 700 CG LEU A 45 1.650 -6.792 6.766 1.00 0.00 C ATOM 701 CD1 LEU A 45 1.036 -7.555 7.941 1.00 0.00 C ATOM 702 CD2 LEU A 45 1.978 -5.364 7.205 1.00 0.00 C ATOM 0 H LEU A 45 4.265 -9.484 6.714 1.00 0.00 H new ATOM 0 HA LEU A 45 1.499 -9.059 5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.585 -7.688 7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.480 -6.874 5.606 1.00 0.00 H new ATOM 0 HG LEU A 45 0.941 -6.760 5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.128 -7.049 8.268 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.793 -8.571 7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.749 -7.590 8.765 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.065 -4.865 7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.691 -5.391 8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.412 -4.817 6.368 1.00 0.00 H new ATOM 714 N PHE A 46 2.027 -9.622 3.425 1.00 0.00 N ATOM 715 CA PHE A 46 2.119 -9.644 1.929 1.00 0.00 C ATOM 716 C PHE A 46 0.774 -9.233 1.324 1.00 0.00 C ATOM 717 O PHE A 46 -0.262 -9.416 1.923 1.00 0.00 O ATOM 718 CB PHE A 46 2.486 -11.097 1.499 1.00 0.00 C ATOM 719 CG PHE A 46 2.108 -12.133 2.545 1.00 0.00 C ATOM 720 CD1 PHE A 46 0.766 -12.337 2.884 1.00 0.00 C ATOM 721 CD2 PHE A 46 3.109 -12.889 3.172 1.00 0.00 C ATOM 722 CE1 PHE A 46 0.424 -13.288 3.849 1.00 0.00 C ATOM 723 CE2 PHE A 46 2.764 -13.844 4.135 1.00 0.00 C ATOM 724 CZ PHE A 46 1.423 -14.043 4.473 1.00 0.00 C ATOM 0 H PHE A 46 1.413 -10.330 3.827 1.00 0.00 H new ATOM 0 HA PHE A 46 2.878 -8.945 1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.981 -11.332 0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.557 -11.155 1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.007 -11.759 2.399 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.146 -12.734 2.912 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.612 -13.440 4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.535 -14.427 4.617 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.157 -14.780 5.216 1.00 0.00 H new ATOM 734 N VAL A 47 0.777 -8.672 0.140 1.00 0.00 N ATOM 735 CA VAL A 47 -0.513 -8.254 -0.490 1.00 0.00 C ATOM 736 C VAL A 47 -1.525 -9.402 -0.425 1.00 0.00 C ATOM 737 O VAL A 47 -1.158 -10.559 -0.359 1.00 0.00 O ATOM 738 CB VAL A 47 -0.168 -7.923 -1.944 1.00 0.00 C ATOM 739 CG1 VAL A 47 -1.436 -7.488 -2.679 1.00 0.00 C ATOM 740 CG2 VAL A 47 0.855 -6.785 -1.987 1.00 0.00 C ATOM 0 H VAL A 47 1.612 -8.486 -0.415 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.961 -7.401 0.020 1.00 0.00 H new ATOM 0 HB VAL A 47 0.253 -8.806 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.193 -7.252 -3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.167 -8.296 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.853 -6.606 -2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.098 -6.553 -3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.436 -5.901 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.760 -7.090 -1.462 1.00 0.00 H new ATOM 750 N GLY A 48 -2.791 -9.097 -0.420 1.00 0.00 N ATOM 751 CA GLY A 48 -3.809 -10.179 -0.334 1.00 0.00 C ATOM 752 C GLY A 48 -4.003 -10.555 1.137 1.00 0.00 C ATOM 753 O GLY A 48 -4.417 -11.651 1.459 1.00 0.00 O ATOM 0 H GLY A 48 -3.164 -8.149 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.752 -9.845 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.486 -11.048 -0.907 1.00 0.00 H new ATOM 757 N ASP A 49 -3.701 -9.651 2.032 1.00 0.00 N ATOM 758 CA ASP A 49 -3.860 -9.952 3.483 1.00 0.00 C ATOM 759 C ASP A 49 -5.026 -9.153 4.077 1.00 0.00 C ATOM 760 O ASP A 49 -4.894 -7.983 4.382 1.00 0.00 O ATOM 761 CB ASP A 49 -2.542 -9.502 4.114 1.00 0.00 C ATOM 762 CG ASP A 49 -1.487 -10.597 3.948 1.00 0.00 C ATOM 763 OD1 ASP A 49 -1.850 -11.695 3.558 1.00 0.00 O ATOM 764 OD2 ASP A 49 -0.331 -10.316 4.220 1.00 0.00 O ATOM 0 H ASP A 49 -3.351 -8.717 1.819 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.076 -11.005 3.663 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.199 -8.580 3.644 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.690 -9.285 5.172 1.00 0.00 H new ATOM 769 N ALA A 50 -6.165 -9.771 4.245 1.00 0.00 N ATOM 770 CA ALA A 50 -7.329 -9.036 4.830 1.00 0.00 C ATOM 771 C ALA A 50 -7.171 -8.928 6.349 1.00 0.00 C ATOM 772 O ALA A 50 -7.402 -9.873 7.078 1.00 0.00 O ATOM 773 CB ALA A 50 -8.556 -9.863 4.456 1.00 0.00 C ATOM 0 H ALA A 50 -6.341 -10.747 4.005 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.411 -8.017 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.452 -9.385 4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.631 -9.932 3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.462 -10.864 4.878 1.00 0.00 H new ATOM 779 N ILE A 51 -6.766 -7.780 6.828 1.00 0.00 N ATOM 780 CA ILE A 51 -6.578 -7.605 8.299 1.00 0.00 C ATOM 781 C ILE A 51 -7.928 -7.577 9.017 1.00 0.00 C ATOM 782 O ILE A 51 -8.874 -6.964 8.561 1.00 0.00 O ATOM 783 CB ILE A 51 -5.872 -6.258 8.462 1.00 0.00 C ATOM 784 CG1 ILE A 51 -4.505 -6.304 7.777 1.00 0.00 C ATOM 785 CG2 ILE A 51 -5.684 -5.963 9.953 1.00 0.00 C ATOM 786 CD1 ILE A 51 -3.816 -4.946 7.929 1.00 0.00 C ATOM 0 H ILE A 51 -6.557 -6.956 6.264 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.004 -8.426 8.728 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.477 -5.475 8.005 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.890 -7.088 8.219 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.623 -6.549 6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.181 -5.004 10.073 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.657 -5.926 10.442 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.080 -6.749 10.406 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.841 -4.976 7.442 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.429 -4.173 7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.686 -4.721 8.987 1.00 0.00 H new ATOM 798 N LEU A 52 -8.024 -8.234 10.142 1.00 0.00 N ATOM 799 CA LEU A 52 -9.317 -8.237 10.889 1.00 0.00 C ATOM 800 C LEU A 52 -9.091 -8.029 12.397 1.00 0.00 C ATOM 801 O LEU A 52 -10.000 -8.167 13.190 1.00 0.00 O ATOM 802 CB LEU A 52 -9.919 -9.614 10.618 1.00 0.00 C ATOM 803 CG LEU A 52 -10.291 -9.721 9.136 1.00 0.00 C ATOM 804 CD1 LEU A 52 -10.878 -11.105 8.853 1.00 0.00 C ATOM 805 CD2 LEU A 52 -11.326 -8.647 8.788 1.00 0.00 C ATOM 0 H LEU A 52 -7.269 -8.766 10.575 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.972 -7.427 10.569 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.205 -10.394 10.883 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.802 -9.766 11.238 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.398 -9.575 8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.142 -11.179 7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.141 -11.870 9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.770 -11.253 9.462 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.590 -8.724 7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.219 -8.791 9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.907 -7.660 8.986 1.00 0.00 H new ATOM 817 N SER A 53 -7.892 -7.688 12.800 1.00 0.00 N ATOM 818 CA SER A 53 -7.618 -7.461 14.253 1.00 0.00 C ATOM 819 C SER A 53 -6.145 -7.098 14.453 1.00 0.00 C ATOM 820 O SER A 53 -5.300 -7.959 14.602 1.00 0.00 O ATOM 821 CB SER A 53 -7.939 -8.780 14.986 1.00 0.00 C ATOM 822 OG SER A 53 -8.118 -9.839 14.057 1.00 0.00 O ATOM 0 H SER A 53 -7.090 -7.557 12.184 1.00 0.00 H new ATOM 0 HA SER A 53 -8.225 -6.643 14.641 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.130 -9.026 15.674 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.841 -8.659 15.585 1.00 0.00 H new ATOM 0 HG SER A 53 -8.618 -10.566 14.482 1.00 0.00 H new ATOM 828 N VAL A 54 -5.831 -5.833 14.460 1.00 0.00 N ATOM 829 CA VAL A 54 -4.408 -5.425 14.653 1.00 0.00 C ATOM 830 C VAL A 54 -4.120 -5.201 16.142 1.00 0.00 C ATOM 831 O VAL A 54 -4.740 -4.383 16.788 1.00 0.00 O ATOM 832 CB VAL A 54 -4.242 -4.121 13.867 1.00 0.00 C ATOM 833 CG1 VAL A 54 -4.552 -4.366 12.389 1.00 0.00 C ATOM 834 CG2 VAL A 54 -5.201 -3.063 14.407 1.00 0.00 C ATOM 0 H VAL A 54 -6.493 -5.066 14.341 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.714 -6.190 14.306 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.215 -3.773 13.975 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.433 -3.436 11.833 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.867 -5.116 11.993 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.577 -4.721 12.286 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.077 -2.138 13.843 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.227 -3.416 14.305 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.984 -2.878 15.459 1.00 0.00 H new ATOM 844 N ASN A 55 -3.179 -5.928 16.684 1.00 0.00 N ATOM 845 CA ASN A 55 -2.833 -5.769 18.128 1.00 0.00 C ATOM 846 C ASN A 55 -4.070 -5.963 19.009 1.00 0.00 C ATOM 847 O ASN A 55 -4.229 -5.311 20.021 1.00 0.00 O ATOM 848 CB ASN A 55 -2.299 -4.342 18.259 1.00 0.00 C ATOM 849 CG ASN A 55 -0.817 -4.315 17.885 1.00 0.00 C ATOM 850 OD1 ASN A 55 -0.076 -5.218 18.218 1.00 0.00 O ATOM 851 ND2 ASN A 55 -0.352 -3.308 17.198 1.00 0.00 N ATOM 0 H ASN A 55 -2.632 -6.630 16.186 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.102 -6.510 18.452 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.861 -3.671 17.609 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.434 -3.984 19.280 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.634 -3.279 16.940 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.975 -2.550 16.919 1.00 0.00 H new ATOM 858 N GLY A 56 -4.942 -6.861 18.643 1.00 0.00 N ATOM 859 CA GLY A 56 -6.156 -7.094 19.474 1.00 0.00 C ATOM 860 C GLY A 56 -7.269 -6.112 19.082 1.00 0.00 C ATOM 861 O GLY A 56 -8.386 -6.224 19.546 1.00 0.00 O ATOM 0 H GLY A 56 -4.867 -7.442 17.808 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.503 -8.119 19.342 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.911 -6.973 20.529 1.00 0.00 H new ATOM 865 N GLU A 57 -6.989 -5.153 18.234 1.00 0.00 N ATOM 866 CA GLU A 57 -8.057 -4.192 17.838 1.00 0.00 C ATOM 867 C GLU A 57 -8.967 -4.841 16.799 1.00 0.00 C ATOM 868 O GLU A 57 -8.689 -4.809 15.616 1.00 0.00 O ATOM 869 CB GLU A 57 -7.324 -2.992 17.235 1.00 0.00 C ATOM 870 CG GLU A 57 -7.931 -1.697 17.776 1.00 0.00 C ATOM 871 CD GLU A 57 -6.826 -0.659 17.974 1.00 0.00 C ATOM 872 OE1 GLU A 57 -5.804 -0.778 17.317 1.00 0.00 O ATOM 873 OE2 GLU A 57 -7.019 0.238 18.778 1.00 0.00 O ATOM 0 H GLU A 57 -6.077 -4.997 17.805 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.681 -3.894 18.681 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.263 -3.039 17.481 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.400 -3.015 16.148 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.681 -1.317 17.082 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.439 -1.888 18.721 1.00 0.00 H new ATOM 880 N ASP A 58 -10.048 -5.438 17.235 1.00 0.00 N ATOM 881 CA ASP A 58 -10.987 -6.110 16.283 1.00 0.00 C ATOM 882 C ASP A 58 -11.249 -5.231 15.058 1.00 0.00 C ATOM 883 O ASP A 58 -12.000 -4.279 15.109 1.00 0.00 O ATOM 884 CB ASP A 58 -12.276 -6.312 17.078 1.00 0.00 C ATOM 885 CG ASP A 58 -12.801 -7.731 16.846 1.00 0.00 C ATOM 886 OD1 ASP A 58 -13.283 -7.992 15.757 1.00 0.00 O ATOM 887 OD2 ASP A 58 -12.712 -8.531 17.763 1.00 0.00 O ATOM 0 H ASP A 58 -10.323 -5.489 18.216 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.579 -7.049 15.908 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.090 -6.151 18.140 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.024 -5.581 16.771 1.00 0.00 H new ATOM 892 N LEU A 59 -10.628 -5.550 13.958 1.00 0.00 N ATOM 893 CA LEU A 59 -10.830 -4.742 12.727 1.00 0.00 C ATOM 894 C LEU A 59 -11.988 -5.311 11.892 1.00 0.00 C ATOM 895 O LEU A 59 -12.375 -4.742 10.891 1.00 0.00 O ATOM 896 CB LEU A 59 -9.505 -4.853 11.970 1.00 0.00 C ATOM 897 CG LEU A 59 -8.825 -3.482 11.912 1.00 0.00 C ATOM 898 CD1 LEU A 59 -9.732 -2.486 11.187 1.00 0.00 C ATOM 899 CD2 LEU A 59 -8.546 -2.982 13.332 1.00 0.00 C ATOM 0 H LEU A 59 -9.988 -6.338 13.859 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.091 -3.707 12.947 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.852 -5.572 12.464 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.682 -5.224 10.961 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.883 -3.573 11.371 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.245 -1.512 11.148 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.922 -2.838 10.173 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.677 -2.398 11.723 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.062 -2.006 13.286 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.485 -2.896 13.878 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.892 -3.687 13.844 1.00 0.00 H new ATOM 911 N SER A 60 -12.545 -6.424 12.294 1.00 0.00 N ATOM 912 CA SER A 60 -13.676 -7.014 11.520 1.00 0.00 C ATOM 913 C SER A 60 -14.833 -6.016 11.429 1.00 0.00 C ATOM 914 O SER A 60 -15.438 -5.846 10.388 1.00 0.00 O ATOM 915 CB SER A 60 -14.093 -8.253 12.317 1.00 0.00 C ATOM 916 OG SER A 60 -15.473 -8.516 12.103 1.00 0.00 O ATOM 0 H SER A 60 -12.266 -6.948 13.123 1.00 0.00 H new ATOM 0 HA SER A 60 -13.394 -7.263 10.497 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.497 -9.113 12.010 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.903 -8.096 13.379 1.00 0.00 H new ATOM 0 HG SER A 60 -15.738 -9.310 12.613 1.00 0.00 H new ATOM 922 N SER A 61 -15.149 -5.356 12.509 1.00 0.00 N ATOM 923 CA SER A 61 -16.270 -4.372 12.481 1.00 0.00 C ATOM 924 C SER A 61 -15.723 -2.944 12.409 1.00 0.00 C ATOM 925 O SER A 61 -16.283 -2.027 12.976 1.00 0.00 O ATOM 926 CB SER A 61 -17.024 -4.591 13.793 1.00 0.00 C ATOM 927 OG SER A 61 -17.758 -5.805 13.721 1.00 0.00 O ATOM 0 H SER A 61 -14.680 -5.455 13.410 1.00 0.00 H new ATOM 0 HA SER A 61 -16.914 -4.508 11.612 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.322 -4.627 14.626 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.699 -3.756 13.980 1.00 0.00 H new ATOM 0 HG SER A 61 -18.240 -5.946 14.563 1.00 0.00 H new ATOM 933 N ALA A 62 -14.634 -2.747 11.716 1.00 0.00 N ATOM 934 CA ALA A 62 -14.057 -1.375 11.611 1.00 0.00 C ATOM 935 C ALA A 62 -14.022 -0.925 10.149 1.00 0.00 C ATOM 936 O ALA A 62 -13.805 -1.715 9.253 1.00 0.00 O ATOM 937 CB ALA A 62 -12.639 -1.498 12.163 1.00 0.00 C ATOM 0 H ALA A 62 -14.120 -3.474 11.219 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.646 -0.639 12.157 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.146 -0.527 12.120 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.680 -1.839 13.198 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.077 -2.217 11.566 1.00 0.00 H new ATOM 943 N THR A 63 -14.225 0.340 9.906 1.00 0.00 N ATOM 944 CA THR A 63 -14.199 0.843 8.503 1.00 0.00 C ATOM 945 C THR A 63 -12.751 0.991 8.029 1.00 0.00 C ATOM 946 O THR A 63 -11.826 0.912 8.812 1.00 0.00 O ATOM 947 CB THR A 63 -14.893 2.204 8.562 1.00 0.00 C ATOM 948 OG1 THR A 63 -14.279 3.003 9.562 1.00 0.00 O ATOM 949 CG2 THR A 63 -16.372 2.007 8.900 1.00 0.00 C ATOM 0 H THR A 63 -14.408 1.047 10.618 1.00 0.00 H new ATOM 0 HA THR A 63 -14.693 0.167 7.805 1.00 0.00 H new ATOM 0 HB THR A 63 -14.805 2.701 7.596 1.00 0.00 H new ATOM 0 HG1 THR A 63 -14.721 3.877 9.600 1.00 0.00 H new ATOM 0 HG21 THR A 63 -16.868 2.977 8.942 1.00 0.00 H new ATOM 0 HG22 THR A 63 -16.842 1.392 8.132 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.461 1.511 9.867 1.00 0.00 H new ATOM 957 N HIS A 64 -12.540 1.202 6.757 1.00 0.00 N ATOM 958 CA HIS A 64 -11.141 1.348 6.261 1.00 0.00 C ATOM 959 C HIS A 64 -10.421 2.448 7.049 1.00 0.00 C ATOM 960 O HIS A 64 -9.210 2.456 7.154 1.00 0.00 O ATOM 961 CB HIS A 64 -11.261 1.725 4.781 1.00 0.00 C ATOM 962 CG HIS A 64 -9.886 1.981 4.225 1.00 0.00 C ATOM 963 ND1 HIS A 64 -9.330 1.201 3.226 1.00 0.00 N ATOM 964 CD2 HIS A 64 -8.942 2.923 4.532 1.00 0.00 C ATOM 965 CE1 HIS A 64 -8.101 1.689 2.972 1.00 0.00 C ATOM 966 NE2 HIS A 64 -7.814 2.738 3.743 1.00 0.00 N ATOM 0 H HIS A 64 -13.268 1.279 6.046 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.563 0.432 6.387 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.747 0.922 4.227 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.883 2.613 4.668 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -9.770 0.404 2.767 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.057 3.696 5.277 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.429 1.280 2.233 1.00 0.00 H new ATOM 974 N ASP A 65 -11.154 3.368 7.617 1.00 0.00 N ATOM 975 CA ASP A 65 -10.501 4.449 8.410 1.00 0.00 C ATOM 976 C ASP A 65 -10.070 3.886 9.764 1.00 0.00 C ATOM 977 O ASP A 65 -8.980 4.135 10.237 1.00 0.00 O ATOM 978 CB ASP A 65 -11.574 5.521 8.589 1.00 0.00 C ATOM 979 CG ASP A 65 -11.691 6.345 7.305 1.00 0.00 C ATOM 980 OD1 ASP A 65 -11.357 5.819 6.256 1.00 0.00 O ATOM 981 OD2 ASP A 65 -12.108 7.488 7.393 1.00 0.00 O ATOM 0 H ASP A 65 -12.172 3.418 7.567 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.614 4.853 7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.532 5.056 8.824 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.319 6.169 9.428 1.00 0.00 H new ATOM 986 N GLU A 66 -10.922 3.113 10.380 1.00 0.00 N ATOM 987 CA GLU A 66 -10.571 2.510 11.694 1.00 0.00 C ATOM 988 C GLU A 66 -9.413 1.523 11.515 1.00 0.00 C ATOM 989 O GLU A 66 -8.707 1.200 12.450 1.00 0.00 O ATOM 990 CB GLU A 66 -11.838 1.780 12.140 1.00 0.00 C ATOM 991 CG GLU A 66 -12.748 2.750 12.896 1.00 0.00 C ATOM 992 CD GLU A 66 -12.050 3.210 14.178 1.00 0.00 C ATOM 993 OE1 GLU A 66 -11.837 2.378 15.044 1.00 0.00 O ATOM 994 OE2 GLU A 66 -11.743 4.386 14.271 1.00 0.00 O ATOM 0 H GLU A 66 -11.849 2.873 10.028 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.252 3.251 12.427 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.361 1.375 11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.578 0.936 12.779 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.982 3.610 12.268 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.694 2.265 13.138 1.00 0.00 H new ATOM 1001 N ALA A 67 -9.217 1.039 10.317 1.00 0.00 N ATOM 1002 CA ALA A 67 -8.111 0.073 10.067 1.00 0.00 C ATOM 1003 C ALA A 67 -6.792 0.813 9.839 1.00 0.00 C ATOM 1004 O ALA A 67 -5.777 0.474 10.412 1.00 0.00 O ATOM 1005 CB ALA A 67 -8.522 -0.678 8.801 1.00 0.00 C ATOM 0 H ALA A 67 -9.779 1.273 9.498 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.955 -0.597 10.913 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.756 -1.412 8.548 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.470 -1.187 8.972 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.633 0.029 7.979 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.794 1.821 9.009 1.00 0.00 N ATOM 1012 CA VAL A 68 -5.525 2.568 8.759 1.00 0.00 C ATOM 1013 C VAL A 68 -5.068 3.212 10.065 1.00 0.00 C ATOM 1014 O VAL A 68 -3.895 3.431 10.287 1.00 0.00 O ATOM 1015 CB VAL A 68 -5.845 3.647 7.709 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -4.536 4.224 7.169 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.640 3.059 6.538 1.00 0.00 C ATOM 0 H VAL A 68 -7.610 2.158 8.497 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.729 1.914 8.401 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.443 4.423 8.186 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.755 4.989 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.968 4.666 7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.950 3.428 6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.852 3.844 5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.057 2.271 6.061 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.578 2.643 6.907 1.00 0.00 H new ATOM 1027 N GLN A 69 -5.994 3.501 10.943 1.00 0.00 N ATOM 1028 CA GLN A 69 -5.615 4.112 12.246 1.00 0.00 C ATOM 1029 C GLN A 69 -4.655 3.177 12.979 1.00 0.00 C ATOM 1030 O GLN A 69 -3.696 3.609 13.587 1.00 0.00 O ATOM 1031 CB GLN A 69 -6.927 4.254 13.016 1.00 0.00 C ATOM 1032 CG GLN A 69 -7.267 5.737 13.172 1.00 0.00 C ATOM 1033 CD GLN A 69 -8.725 5.970 12.771 1.00 0.00 C ATOM 1034 OE1 GLN A 69 -9.005 6.357 11.654 1.00 0.00 O ATOM 1035 NE2 GLN A 69 -9.670 5.750 13.642 1.00 0.00 N ATOM 0 H GLN A 69 -6.993 3.340 10.812 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.114 5.073 12.134 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.729 3.739 12.487 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.839 3.785 13.996 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.108 6.051 14.203 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.606 6.340 12.549 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.434 5.425 14.580 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.645 5.903 13.386 1.00 0.00 H new ATOM 1044 N ALA A 70 -4.894 1.895 12.909 1.00 0.00 N ATOM 1045 CA ALA A 70 -3.984 0.933 13.581 1.00 0.00 C ATOM 1046 C ALA A 70 -2.598 1.041 12.949 1.00 0.00 C ATOM 1047 O ALA A 70 -1.590 1.088 13.625 1.00 0.00 O ATOM 1048 CB ALA A 70 -4.597 -0.438 13.307 1.00 0.00 C ATOM 0 H ALA A 70 -5.681 1.476 12.414 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.875 1.116 14.650 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.983 -1.210 13.771 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.604 -0.476 13.723 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.642 -0.608 12.231 1.00 0.00 H new ATOM 1054 N LEU A 71 -2.552 1.101 11.648 1.00 0.00 N ATOM 1055 CA LEU A 71 -1.249 1.229 10.946 1.00 0.00 C ATOM 1056 C LEU A 71 -0.671 2.623 11.209 1.00 0.00 C ATOM 1057 O LEU A 71 0.522 2.839 11.125 1.00 0.00 O ATOM 1058 CB LEU A 71 -1.578 1.050 9.455 1.00 0.00 C ATOM 1059 CG LEU A 71 -1.805 -0.434 9.123 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -0.623 -1.273 9.611 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -3.090 -0.921 9.793 1.00 0.00 C ATOM 0 H LEU A 71 -3.369 1.066 11.038 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.513 0.499 11.282 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.469 1.625 9.203 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.763 1.443 8.848 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.894 -0.543 8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.797 -2.322 9.370 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.290 -0.934 9.122 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.519 -1.162 10.690 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.248 -1.973 9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.005 -0.801 10.873 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.935 -0.336 9.429 1.00 0.00 H new ATOM 1073 N LYS A 72 -1.511 3.569 11.535 1.00 0.00 N ATOM 1074 CA LYS A 72 -1.013 4.945 11.815 1.00 0.00 C ATOM 1075 C LYS A 72 -0.547 5.047 13.272 1.00 0.00 C ATOM 1076 O LYS A 72 0.479 5.627 13.564 1.00 0.00 O ATOM 1077 CB LYS A 72 -2.210 5.863 11.561 1.00 0.00 C ATOM 1078 CG LYS A 72 -1.711 7.253 11.166 1.00 0.00 C ATOM 1079 CD LYS A 72 -1.068 7.928 12.379 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.296 9.438 12.301 1.00 0.00 C ATOM 1081 NZ LYS A 72 -1.077 9.929 13.690 1.00 0.00 N ATOM 0 H LYS A 72 -2.520 3.447 11.619 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.161 5.214 11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.836 5.451 10.770 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.829 5.928 12.456 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.988 7.174 10.354 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.540 7.857 10.797 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.497 7.532 13.299 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.000 7.711 12.406 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.603 9.907 11.602 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.303 9.668 11.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.215 10.959 13.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.755 9.470 14.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.108 9.701 13.990 1.00 0.00 H new ATOM 1095 N LYS A 73 -1.287 4.478 14.189 1.00 0.00 N ATOM 1096 CA LYS A 73 -0.877 4.537 15.621 1.00 0.00 C ATOM 1097 C LYS A 73 -0.225 3.214 16.031 1.00 0.00 C ATOM 1098 O LYS A 73 -0.209 2.851 17.190 1.00 0.00 O ATOM 1099 CB LYS A 73 -2.175 4.755 16.400 1.00 0.00 C ATOM 1100 CG LYS A 73 -2.896 5.994 15.866 1.00 0.00 C ATOM 1101 CD LYS A 73 -3.850 6.527 16.937 1.00 0.00 C ATOM 1102 CE LYS A 73 -4.806 7.543 16.311 1.00 0.00 C ATOM 1103 NZ LYS A 73 -5.472 8.207 17.468 1.00 0.00 N ATOM 0 H LYS A 73 -2.156 3.976 14.007 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.152 5.328 15.812 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.818 3.880 16.306 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.957 4.878 17.461 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.171 6.761 15.594 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.450 5.744 14.961 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.414 5.705 17.378 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.284 6.994 17.743 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.268 8.265 15.697 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.534 7.054 15.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.145 8.919 17.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.981 7.496 18.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.755 8.670 18.063 1.00 0.00 H new ATOM 1117 N THR A 74 0.312 2.490 15.086 1.00 0.00 N ATOM 1118 CA THR A 74 0.962 1.190 15.418 1.00 0.00 C ATOM 1119 C THR A 74 2.182 1.430 16.310 1.00 0.00 C ATOM 1120 O THR A 74 2.782 2.486 16.290 1.00 0.00 O ATOM 1121 CB THR A 74 1.392 0.574 14.075 1.00 0.00 C ATOM 1122 OG1 THR A 74 1.211 1.508 13.018 1.00 0.00 O ATOM 1123 CG2 THR A 74 0.559 -0.677 13.796 1.00 0.00 C ATOM 0 H THR A 74 0.328 2.743 14.098 1.00 0.00 H new ATOM 0 HA THR A 74 0.286 0.527 15.959 1.00 0.00 H new ATOM 0 HB THR A 74 2.448 0.309 14.134 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.490 1.102 12.171 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.864 -1.113 12.845 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.714 -1.403 14.594 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.496 -0.409 13.750 1.00 0.00 H new ATOM 1131 N GLY A 75 2.549 0.457 17.093 1.00 0.00 N ATOM 1132 CA GLY A 75 3.728 0.621 17.992 1.00 0.00 C ATOM 1133 C GLY A 75 4.881 -0.253 17.487 1.00 0.00 C ATOM 1134 O GLY A 75 4.810 -0.827 16.419 1.00 0.00 O ATOM 0 H GLY A 75 2.083 -0.449 17.151 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.035 1.666 18.020 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.464 0.339 19.011 1.00 0.00 H new ATOM 1138 N LYS A 76 5.947 -0.360 18.243 1.00 0.00 N ATOM 1139 CA LYS A 76 7.100 -1.199 17.796 1.00 0.00 C ATOM 1140 C LYS A 76 6.611 -2.578 17.337 1.00 0.00 C ATOM 1141 O LYS A 76 6.753 -2.944 16.189 1.00 0.00 O ATOM 1142 CB LYS A 76 8.005 -1.325 19.024 1.00 0.00 C ATOM 1143 CG LYS A 76 8.737 -0.002 19.253 1.00 0.00 C ATOM 1144 CD LYS A 76 10.178 -0.280 19.690 1.00 0.00 C ATOM 1145 CE LYS A 76 11.018 0.986 19.510 1.00 0.00 C ATOM 1146 NZ LYS A 76 12.388 0.495 19.186 1.00 0.00 N ATOM 0 H LYS A 76 6.067 0.096 19.147 1.00 0.00 H new ATOM 0 HA LYS A 76 7.626 -0.756 16.950 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.412 -1.582 19.902 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.724 -2.131 18.878 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.732 0.591 18.338 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.222 0.583 20.015 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.198 -0.598 20.732 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.598 -1.095 19.100 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.623 1.612 18.710 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.019 1.591 20.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.024 1.306 19.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.741 -0.092 19.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.356 -0.072 18.315 1.00 0.00 H new ATOM 1160 N GLU A 77 6.022 -3.339 18.219 1.00 0.00 N ATOM 1161 CA GLU A 77 5.515 -4.682 17.813 1.00 0.00 C ATOM 1162 C GLU A 77 4.126 -4.512 17.183 1.00 0.00 C ATOM 1163 O GLU A 77 3.190 -4.085 17.830 1.00 0.00 O ATOM 1164 CB GLU A 77 5.473 -5.493 19.129 1.00 0.00 C ATOM 1165 CG GLU A 77 4.391 -6.593 19.099 1.00 0.00 C ATOM 1166 CD GLU A 77 4.782 -7.712 20.067 1.00 0.00 C ATOM 1167 OE1 GLU A 77 5.835 -8.297 19.869 1.00 0.00 O ATOM 1168 OE2 GLU A 77 4.022 -7.965 20.986 1.00 0.00 O ATOM 0 H GLU A 77 5.870 -3.092 19.197 1.00 0.00 H new ATOM 0 HA GLU A 77 6.132 -5.189 17.071 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.448 -5.948 19.305 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.281 -4.819 19.964 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.424 -6.176 19.379 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.287 -6.990 18.089 1.00 0.00 H new ATOM 1175 N VAL A 78 3.987 -4.826 15.924 1.00 0.00 N ATOM 1176 CA VAL A 78 2.661 -4.660 15.265 1.00 0.00 C ATOM 1177 C VAL A 78 2.020 -6.017 14.964 1.00 0.00 C ATOM 1178 O VAL A 78 2.191 -6.570 13.896 1.00 0.00 O ATOM 1179 CB VAL A 78 2.955 -3.902 13.965 1.00 0.00 C ATOM 1180 CG1 VAL A 78 1.686 -3.815 13.111 1.00 0.00 C ATOM 1181 CG2 VAL A 78 3.429 -2.490 14.297 1.00 0.00 C ATOM 0 H VAL A 78 4.730 -5.188 15.326 1.00 0.00 H new ATOM 0 HA VAL A 78 1.958 -4.126 15.904 1.00 0.00 H new ATOM 0 HB VAL A 78 3.729 -4.434 13.411 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.904 -3.275 12.190 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.340 -4.820 12.870 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.910 -3.288 13.666 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.638 -1.950 13.374 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.652 -1.967 14.855 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.336 -2.543 14.900 1.00 0.00 H new ATOM 1191 N VAL A 79 1.257 -6.541 15.881 1.00 0.00 N ATOM 1192 CA VAL A 79 0.580 -7.840 15.621 1.00 0.00 C ATOM 1193 C VAL A 79 -0.615 -7.580 14.706 1.00 0.00 C ATOM 1194 O VAL A 79 -1.463 -6.767 15.008 1.00 0.00 O ATOM 1195 CB VAL A 79 0.109 -8.329 16.992 1.00 0.00 C ATOM 1196 CG1 VAL A 79 -0.549 -9.702 16.846 1.00 0.00 C ATOM 1197 CG2 VAL A 79 1.308 -8.433 17.936 1.00 0.00 C ATOM 0 H VAL A 79 1.074 -6.128 16.795 1.00 0.00 H new ATOM 0 HA VAL A 79 1.226 -8.576 15.141 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.614 -7.623 17.401 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.885 -10.050 17.823 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.404 -9.626 16.174 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.172 -10.409 16.437 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.973 -8.781 18.913 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.032 -9.138 17.528 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.775 -7.454 18.041 1.00 0.00 H new ATOM 1207 N LEU A 80 -0.683 -8.228 13.577 1.00 0.00 N ATOM 1208 CA LEU A 80 -1.826 -7.960 12.657 1.00 0.00 C ATOM 1209 C LEU A 80 -2.529 -9.252 12.240 1.00 0.00 C ATOM 1210 O LEU A 80 -2.013 -10.026 11.456 1.00 0.00 O ATOM 1211 CB LEU A 80 -1.214 -7.280 11.421 1.00 0.00 C ATOM 1212 CG LEU A 80 -0.226 -6.178 11.833 1.00 0.00 C ATOM 1213 CD1 LEU A 80 0.216 -5.405 10.588 1.00 0.00 C ATOM 1214 CD2 LEU A 80 -0.891 -5.213 12.817 1.00 0.00 C ATOM 0 H LEU A 80 -0.009 -8.922 13.254 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.576 -7.339 13.147 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.702 -8.022 10.809 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.006 -6.852 10.807 1.00 0.00 H new ATOM 0 HG LEU A 80 0.638 -6.636 12.313 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.917 -4.622 10.876 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.700 -6.087 9.889 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.655 -4.955 10.111 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.181 -4.437 13.101 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.760 -4.754 12.346 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.206 -5.760 13.706 1.00 0.00 H new ATOM 1226 N GLU A 81 -3.724 -9.471 12.722 1.00 0.00 N ATOM 1227 CA GLU A 81 -4.471 -10.689 12.301 1.00 0.00 C ATOM 1228 C GLU A 81 -4.783 -10.538 10.817 1.00 0.00 C ATOM 1229 O GLU A 81 -5.261 -9.505 10.392 1.00 0.00 O ATOM 1230 CB GLU A 81 -5.757 -10.688 13.122 1.00 0.00 C ATOM 1231 CG GLU A 81 -6.307 -12.114 13.207 1.00 0.00 C ATOM 1232 CD GLU A 81 -5.492 -12.927 14.219 1.00 0.00 C ATOM 1233 OE1 GLU A 81 -4.543 -12.385 14.765 1.00 0.00 O ATOM 1234 OE2 GLU A 81 -5.831 -14.080 14.430 1.00 0.00 O ATOM 0 H GLU A 81 -4.210 -8.865 13.383 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.919 -11.616 12.456 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.563 -10.301 14.122 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.494 -10.029 12.663 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.355 -12.092 13.505 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.264 -12.589 12.227 1.00 0.00 H new ATOM 1241 N VAL A 82 -4.488 -11.519 10.012 1.00 0.00 N ATOM 1242 CA VAL A 82 -4.743 -11.356 8.553 1.00 0.00 C ATOM 1243 C VAL A 82 -5.460 -12.567 7.955 1.00 0.00 C ATOM 1244 O VAL A 82 -5.234 -13.698 8.329 1.00 0.00 O ATOM 1245 CB VAL A 82 -3.340 -11.187 7.933 1.00 0.00 C ATOM 1246 CG1 VAL A 82 -2.390 -12.267 8.451 1.00 0.00 C ATOM 1247 CG2 VAL A 82 -3.405 -11.314 6.413 1.00 0.00 C ATOM 0 H VAL A 82 -4.088 -12.414 10.294 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.398 -10.508 8.353 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.977 -10.198 8.213 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.406 -12.131 8.003 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.309 -12.190 9.535 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.777 -13.250 8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.406 -11.192 5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.792 -12.297 6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.063 -10.544 6.011 1.00 0.00 H new ATOM 1257 N LYS A 83 -6.290 -12.315 6.982 1.00 0.00 N ATOM 1258 CA LYS A 83 -6.999 -13.415 6.282 1.00 0.00 C ATOM 1259 C LYS A 83 -6.373 -13.544 4.894 1.00 0.00 C ATOM 1260 O LYS A 83 -6.829 -12.951 3.935 1.00 0.00 O ATOM 1261 CB LYS A 83 -8.459 -12.964 6.190 1.00 0.00 C ATOM 1262 CG LYS A 83 -9.240 -13.925 5.289 1.00 0.00 C ATOM 1263 CD LYS A 83 -10.555 -14.308 5.970 1.00 0.00 C ATOM 1264 CE LYS A 83 -11.252 -15.399 5.156 1.00 0.00 C ATOM 1265 NZ LYS A 83 -12.554 -15.617 5.849 1.00 0.00 N ATOM 0 H LYS A 83 -6.508 -11.379 6.639 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.932 -14.379 6.786 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.905 -12.939 7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.512 -11.951 5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.440 -13.456 4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.647 -14.818 5.091 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.363 -14.662 6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.201 -13.434 6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.401 -15.087 4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.659 -16.313 5.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.094 -16.353 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.379 -15.919 6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.098 -14.731 5.852 1.00 0.00 H new ATOM 1279 N TYR A 84 -5.301 -14.279 4.794 1.00 0.00 N ATOM 1280 CA TYR A 84 -4.607 -14.415 3.481 1.00 0.00 C ATOM 1281 C TYR A 84 -5.568 -14.917 2.403 1.00 0.00 C ATOM 1282 O TYR A 84 -6.174 -15.963 2.532 1.00 0.00 O ATOM 1283 CB TYR A 84 -3.489 -15.441 3.721 1.00 0.00 C ATOM 1284 CG TYR A 84 -2.278 -15.180 2.829 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -2.323 -14.248 1.773 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -1.095 -15.892 3.068 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -1.194 -14.037 0.975 1.00 0.00 C ATOM 1288 CE2 TYR A 84 0.032 -15.681 2.266 1.00 0.00 C ATOM 1289 CZ TYR A 84 -0.016 -14.752 1.221 1.00 0.00 C ATOM 1290 OH TYR A 84 1.096 -14.546 0.430 1.00 0.00 O ATOM 0 H TYR A 84 -4.874 -14.792 5.565 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.220 -13.458 3.130 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.184 -15.408 4.767 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.870 -16.445 3.532 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.231 -13.696 1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.053 -16.608 3.876 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.231 -13.321 0.167 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.939 -16.236 2.454 1.00 0.00 H new ATOM 0 HH TYR A 84 1.637 -13.822 0.808 1.00 0.00 H new ATOM 1300 N MET A 85 -5.702 -14.182 1.334 1.00 0.00 N ATOM 1301 CA MET A 85 -6.614 -14.622 0.237 1.00 0.00 C ATOM 1302 C MET A 85 -5.802 -15.278 -0.883 1.00 0.00 C ATOM 1303 O MET A 85 -5.922 -14.925 -2.040 1.00 0.00 O ATOM 1304 CB MET A 85 -7.292 -13.345 -0.264 1.00 0.00 C ATOM 1305 CG MET A 85 -8.140 -12.744 0.858 1.00 0.00 C ATOM 1306 SD MET A 85 -9.520 -13.855 1.233 1.00 0.00 S ATOM 1307 CE MET A 85 -10.562 -12.645 2.082 1.00 0.00 C ATOM 0 H MET A 85 -5.221 -13.297 1.171 1.00 0.00 H new ATOM 0 HA MET A 85 -7.345 -15.356 0.576 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.541 -12.626 -0.592 1.00 0.00 H new ATOM 0 HB3 MET A 85 -7.918 -13.568 -1.128 1.00 0.00 H new ATOM 0 HG2 MET A 85 -7.530 -12.592 1.748 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.517 -11.766 0.559 1.00 0.00 H new ATOM 0 HE1 MET A 85 -11.280 -13.165 2.716 1.00 0.00 H new ATOM 0 HE2 MET A 85 -9.939 -11.995 2.696 1.00 0.00 H new ATOM 0 HE3 MET A 85 -11.096 -12.045 1.346 1.00 0.00 H new ATOM 1317 N LYS A 86 -4.976 -16.228 -0.544 1.00 0.00 N ATOM 1318 CA LYS A 86 -4.151 -16.910 -1.582 1.00 0.00 C ATOM 1319 C LYS A 86 -4.895 -18.130 -2.134 1.00 0.00 C ATOM 1320 O LYS A 86 -4.956 -19.128 -1.435 1.00 0.00 O ATOM 1321 CB LYS A 86 -2.879 -17.344 -0.852 1.00 0.00 C ATOM 1322 CG LYS A 86 -1.800 -17.705 -1.875 1.00 0.00 C ATOM 1323 CD LYS A 86 -1.407 -19.174 -1.704 1.00 0.00 C ATOM 1324 CE LYS A 86 0.081 -19.346 -2.018 1.00 0.00 C ATOM 1325 NZ LYS A 86 0.744 -19.440 -0.686 1.00 0.00 N ATOM 1326 OXT LYS A 86 -5.389 -18.044 -3.246 1.00 0.00 O ATOM 0 H LYS A 86 -4.836 -16.563 0.409 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.935 -16.260 -2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.527 -16.541 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.089 -18.201 -0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.169 -17.531 -2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.927 -17.066 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.614 -19.500 -0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.004 -19.800 -2.367 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.259 -20.242 -2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.464 -18.502 -2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.769 -19.559 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.563 -18.570 -0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.364 -20.256 -0.166 1.00 0.00 H new TER 1340 LYS A 86 ATOM 1341 N LYS B 3 -9.992 2.983 -1.769 1.00 0.00 N ATOM 1342 CA LYS B 3 -9.178 3.789 -0.814 1.00 0.00 C ATOM 1343 C LYS B 3 -7.686 3.543 -1.047 1.00 0.00 C ATOM 1344 O LYS B 3 -6.958 4.428 -1.450 1.00 0.00 O ATOM 1345 CB LYS B 3 -9.591 3.303 0.571 1.00 0.00 C ATOM 1346 CG LYS B 3 -9.544 4.472 1.556 1.00 0.00 C ATOM 1347 CD LYS B 3 -10.968 4.862 1.955 1.00 0.00 C ATOM 1348 CE LYS B 3 -10.985 5.314 3.417 1.00 0.00 C ATOM 1349 NZ LYS B 3 -12.126 6.266 3.509 1.00 0.00 N ATOM 0 HA LYS B 3 -9.344 4.859 -0.935 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -10.596 2.883 0.536 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -8.924 2.507 0.903 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -8.971 4.193 2.440 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -9.036 5.323 1.102 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -11.330 5.664 1.312 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -11.640 4.015 1.818 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -11.121 4.468 4.091 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -10.046 5.794 3.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -12.300 6.504 4.506 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -11.898 7.133 2.981 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -12.977 5.828 3.104 1.00 0.00 H new ATOM 1363 N GLU B 4 -7.225 2.348 -0.795 1.00 0.00 N ATOM 1364 CA GLU B 4 -5.778 2.048 -1.001 1.00 0.00 C ATOM 1365 C GLU B 4 -4.911 3.043 -0.222 1.00 0.00 C ATOM 1366 O GLU B 4 -4.234 3.871 -0.797 1.00 0.00 O ATOM 1367 CB GLU B 4 -5.547 2.200 -2.506 1.00 0.00 C ATOM 1368 CG GLU B 4 -4.118 1.768 -2.845 1.00 0.00 C ATOM 1369 CD GLU B 4 -3.967 1.651 -4.362 1.00 0.00 C ATOM 1370 OE1 GLU B 4 -4.385 2.566 -5.053 1.00 0.00 O ATOM 1371 OE2 GLU B 4 -3.437 0.646 -4.810 1.00 0.00 O ATOM 0 H GLU B 4 -7.786 1.567 -0.456 1.00 0.00 H new ATOM 0 HA GLU B 4 -5.512 1.052 -0.647 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.264 1.592 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.707 3.235 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -3.405 2.493 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -3.894 0.812 -2.372 1.00 0.00 H new ATOM 1378 N SER B 5 -4.926 2.969 1.082 1.00 0.00 N ATOM 1379 CA SER B 5 -4.100 3.912 1.892 1.00 0.00 C ATOM 1380 C SER B 5 -2.611 3.645 1.654 1.00 0.00 C ATOM 1381 O SER B 5 -2.219 3.161 0.612 1.00 0.00 O ATOM 1382 CB SER B 5 -4.473 3.622 3.349 1.00 0.00 C ATOM 1383 OG SER B 5 -3.758 4.501 4.203 1.00 0.00 O ATOM 0 H SER B 5 -5.473 2.298 1.621 1.00 0.00 H new ATOM 0 HA SER B 5 -4.283 4.953 1.627 1.00 0.00 H new ATOM 0 HB2 SER B 5 -5.546 3.750 3.493 1.00 0.00 H new ATOM 0 HB3 SER B 5 -4.239 2.587 3.597 1.00 0.00 H new ATOM 0 HG SER B 5 -4.281 5.317 4.344 1.00 0.00 H new ATOM 1389 N LEU B 6 -1.777 3.955 2.610 1.00 0.00 N ATOM 1390 CA LEU B 6 -0.315 3.716 2.432 1.00 0.00 C ATOM 1391 C LEU B 6 0.441 4.060 3.719 1.00 0.00 C ATOM 1392 O LEU B 6 1.220 4.992 3.759 1.00 0.00 O ATOM 1393 CB LEU B 6 0.108 4.653 1.300 1.00 0.00 C ATOM 1394 CG LEU B 6 1.096 3.936 0.385 1.00 0.00 C ATOM 1395 CD1 LEU B 6 1.344 4.786 -0.863 1.00 0.00 C ATOM 1396 CD2 LEU B 6 2.414 3.728 1.131 1.00 0.00 C ATOM 0 H LEU B 6 -2.044 4.363 3.506 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.096 2.673 2.203 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -0.766 4.970 0.731 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.565 5.553 1.711 1.00 0.00 H new ATOM 0 HG LEU B 6 0.687 2.970 0.089 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.050 4.274 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.403 4.938 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.756 5.752 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.123 3.216 0.481 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.823 4.695 1.424 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.237 3.125 2.021 1.00 0.00 H new ATOM 1408 N VAL B 7 0.221 3.317 4.771 1.00 0.00 N ATOM 1409 CA VAL B 7 0.934 3.611 6.046 1.00 0.00 C ATOM 1410 C VAL B 7 2.296 2.913 6.064 1.00 0.00 C ATOM 1411 O VAL B 7 2.930 2.924 7.106 1.00 0.00 O ATOM 1412 CB VAL B 7 0.030 3.053 7.144 1.00 0.00 C ATOM 1413 CG1 VAL B 7 0.635 3.379 8.511 1.00 0.00 C ATOM 1414 CG2 VAL B 7 -1.359 3.687 7.038 1.00 0.00 C ATOM 1415 OXT VAL B 7 2.680 2.381 5.035 1.00 0.00 O ATOM 0 H VAL B 7 -0.419 2.523 4.802 1.00 0.00 H new ATOM 0 HA VAL B 7 1.123 4.677 6.177 1.00 0.00 H new ATOM 0 HB VAL B 7 -0.057 1.973 7.029 1.00 0.00 H new ATOM 0 HG11 VAL B 7 -0.007 2.982 9.297 1.00 0.00 H new ATOM 0 HG12 VAL B 7 1.624 2.927 8.588 1.00 0.00 H new ATOM 0 HG13 VAL B 7 0.720 4.460 8.623 1.00 0.00 H new ATOM 0 HG21 VAL B 7 -2.002 3.287 7.822 1.00 0.00 H new ATOM 0 HG22 VAL B 7 -1.275 4.768 7.153 1.00 0.00 H new ATOM 0 HG23 VAL B 7 -1.790 3.458 6.063 1.00 0.00 H new TER 1425 VAL B 7