USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 946 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 54 CYS SG : rot 53:sc= 1.12 USER MOD Set 1.2: B 1 MET N :NH3+ -164:sc= 2.23 (180deg=0.329) USER MOD Set 2.1: A 1 MET N :NH3+ -152:sc= 1.04 (180deg=0.741) USER MOD Set 2.2: B 54 CYS SG : rot 180:sc= 0.119 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -162:sc= 0.782 (180deg=0.59) USER MOD Single : A 3 SER OG : rot 69:sc= 1.4 USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0514) USER MOD Single : A 18 MET CE :methyl -146:sc= -6.61! (180deg=-8.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -22:sc= 0.49 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 161:sc= 1.58 (180deg=0.961) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= 2.16 (180deg=1.84) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.365 K(o=0.37,f=-1.5) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 2 LYS NZ :NH3+ -157:sc= 1.09 (180deg=0.937) USER MOD Single : B 3 SER OG : rot 62:sc= 1.4 USER MOD Single : B 9 LYS NZ :NH3+ 168:sc= -0.0233 (180deg=-0.187) USER MOD Single : B 18 MET CE :methyl 141:sc= -4.12 (180deg=-7.96!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 180:sc= -0.364 USER MOD Single : B 42 LYS NZ :NH3+ -110:sc= 0.0178 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 164:sc= 1.79 (180deg=1.08) USER MOD Single : B 47 LYS NZ :NH3+ -176:sc= 2.87 (180deg=2.72) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0868) USER MOD Single : B 51 HIS : no HE2:sc= 0.27 K(o=0.27,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.922 9.057 -12.956 1.00 2.39 N ATOM 2 CA MET A 1 -8.204 7.770 -13.017 1.00 1.49 C ATOM 3 C MET A 1 -6.925 7.852 -12.197 1.00 1.24 C ATOM 4 O MET A 1 -6.209 8.854 -12.249 1.00 1.91 O ATOM 5 CB MET A 1 -7.879 7.400 -14.473 1.00 2.01 C ATOM 6 CG MET A 1 -6.818 8.279 -15.131 1.00 2.70 C ATOM 7 SD MET A 1 -7.274 10.026 -15.186 1.00 3.90 S ATOM 8 CE MET A 1 -5.823 10.731 -15.968 1.00 4.80 C ATOM 0 H1 MET A 1 -9.941 8.892 -13.079 1.00 2.39 H new ATOM 0 H2 MET A 1 -8.753 9.506 -12.033 1.00 2.39 H new ATOM 0 H3 MET A 1 -8.579 9.682 -13.713 1.00 2.39 H new ATOM 0 HA MET A 1 -8.845 6.993 -12.601 1.00 1.49 H new ATOM 0 HB2 MET A 1 -7.544 6.363 -14.504 1.00 2.01 H new ATOM 0 HB3 MET A 1 -8.795 7.457 -15.061 1.00 2.01 H new ATOM 0 HG2 MET A 1 -5.879 8.172 -14.588 1.00 2.70 H new ATOM 0 HG3 MET A 1 -6.641 7.924 -16.146 1.00 2.70 H new ATOM 0 HE1 MET A 1 -5.953 11.808 -16.072 1.00 4.80 H new ATOM 0 HE2 MET A 1 -4.945 10.529 -15.355 1.00 4.80 H new ATOM 0 HE3 MET A 1 -5.688 10.285 -16.953 1.00 4.80 H new ATOM 20 N LYS A 2 -6.655 6.814 -11.419 1.00 0.91 N ATOM 21 CA LYS A 2 -5.426 6.751 -10.639 1.00 0.58 C ATOM 22 C LYS A 2 -4.212 6.656 -11.550 1.00 0.56 C ATOM 23 O LYS A 2 -4.335 6.429 -12.754 1.00 0.81 O ATOM 24 CB LYS A 2 -5.421 5.533 -9.720 1.00 0.74 C ATOM 25 CG LYS A 2 -6.575 5.464 -8.741 1.00 0.82 C ATOM 26 CD LYS A 2 -6.402 6.392 -7.554 1.00 0.85 C ATOM 27 CE LYS A 2 -7.141 5.850 -6.348 1.00 1.75 C ATOM 28 NZ LYS A 2 -8.607 5.716 -6.599 1.00 2.48 N ATOM 0 H LYS A 2 -7.268 6.006 -11.311 1.00 0.91 H new ATOM 0 HA LYS A 2 -5.379 7.664 -10.045 1.00 0.58 H new ATOM 0 HB2 LYS A 2 -5.432 4.633 -10.335 1.00 0.74 H new ATOM 0 HB3 LYS A 2 -4.487 5.524 -9.158 1.00 0.74 H new ATOM 0 HG2 LYS A 2 -7.500 5.716 -9.260 1.00 0.82 H new ATOM 0 HG3 LYS A 2 -6.679 4.440 -8.382 1.00 0.82 H new ATOM 0 HD2 LYS A 2 -5.343 6.501 -7.321 1.00 0.85 H new ATOM 0 HD3 LYS A 2 -6.777 7.385 -7.803 1.00 0.85 H new ATOM 0 HE2 LYS A 2 -6.730 4.877 -6.079 1.00 1.75 H new ATOM 0 HE3 LYS A 2 -6.979 6.511 -5.497 1.00 1.75 H new ATOM 0 HZ1 LYS A 2 -9.109 5.641 -5.691 1.00 2.48 H new ATOM 0 HZ2 LYS A 2 -8.948 6.551 -7.116 1.00 2.48 H new ATOM 0 HZ3 LYS A 2 -8.786 4.862 -7.165 1.00 2.48 H new ATOM 42 N SER A 3 -3.046 6.806 -10.953 1.00 0.41 N ATOM 43 CA SER A 3 -1.791 6.664 -11.666 1.00 0.39 C ATOM 44 C SER A 3 -1.612 5.234 -12.149 1.00 0.37 C ATOM 45 O SER A 3 -1.305 4.988 -13.314 1.00 0.48 O ATOM 46 CB SER A 3 -0.647 7.035 -10.736 1.00 0.37 C ATOM 47 OG SER A 3 -0.793 8.351 -10.260 1.00 1.00 O ATOM 0 H SER A 3 -2.941 7.029 -9.963 1.00 0.41 H new ATOM 0 HA SER A 3 -1.796 7.325 -12.533 1.00 0.39 H new ATOM 0 HB2 SER A 3 -0.617 6.341 -9.896 1.00 0.37 H new ATOM 0 HB3 SER A 3 0.302 6.938 -11.264 1.00 0.37 H new ATOM 0 HG SER A 3 -1.555 8.394 -9.645 1.00 1.00 H new ATOM 53 N ILE A 4 -1.815 4.291 -11.241 1.00 0.29 N ATOM 54 CA ILE A 4 -1.636 2.888 -11.561 1.00 0.27 C ATOM 55 C ILE A 4 -2.933 2.320 -12.107 1.00 0.29 C ATOM 56 O ILE A 4 -2.929 1.486 -13.012 1.00 0.34 O ATOM 57 CB ILE A 4 -1.198 2.069 -10.327 1.00 0.25 C ATOM 58 CG1 ILE A 4 -0.594 2.989 -9.256 1.00 0.31 C ATOM 59 CG2 ILE A 4 -0.198 1.000 -10.745 1.00 0.26 C ATOM 60 CD1 ILE A 4 0.047 2.249 -8.100 1.00 0.26 C ATOM 0 H ILE A 4 -2.103 4.474 -10.280 1.00 0.29 H new ATOM 0 HA ILE A 4 -0.847 2.817 -12.310 1.00 0.27 H new ATOM 0 HB ILE A 4 -2.073 1.581 -9.898 1.00 0.25 H new ATOM 0 HG12 ILE A 4 0.153 3.631 -9.722 1.00 0.31 H new ATOM 0 HG13 ILE A 4 -1.377 3.641 -8.868 1.00 0.31 H new ATOM 0 HG21 ILE A 4 0.107 0.426 -9.870 1.00 0.26 H new ATOM 0 HG22 ILE A 4 -0.661 0.334 -11.473 1.00 0.26 H new ATOM 0 HG23 ILE A 4 0.676 1.474 -11.191 1.00 0.26 H new ATOM 0 HD11 ILE A 4 0.450 2.968 -7.387 1.00 0.26 H new ATOM 0 HD12 ILE A 4 -0.700 1.628 -7.606 1.00 0.26 H new ATOM 0 HD13 ILE A 4 0.853 1.618 -8.474 1.00 0.26 H new ATOM 72 N GLY A 5 -4.041 2.797 -11.553 1.00 0.31 N ATOM 73 CA GLY A 5 -5.346 2.362 -12.004 1.00 0.35 C ATOM 74 C GLY A 5 -5.671 0.957 -11.549 1.00 0.33 C ATOM 75 O GLY A 5 -6.498 0.275 -12.155 1.00 0.51 O ATOM 0 H GLY A 5 -4.057 3.480 -10.796 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -6.105 3.048 -11.628 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.386 2.408 -13.092 1.00 0.35 H new ATOM 79 N VAL A 6 -5.013 0.521 -10.487 1.00 0.18 N ATOM 80 CA VAL A 6 -5.226 -0.814 -9.961 1.00 0.15 C ATOM 81 C VAL A 6 -5.741 -0.762 -8.530 1.00 0.14 C ATOM 82 O VAL A 6 -5.221 -0.030 -7.678 1.00 0.17 O ATOM 83 CB VAL A 6 -3.941 -1.673 -10.020 1.00 0.16 C ATOM 84 CG1 VAL A 6 -3.526 -1.919 -11.461 1.00 0.23 C ATOM 85 CG2 VAL A 6 -2.807 -1.017 -9.251 1.00 0.17 C ATOM 0 H VAL A 6 -4.327 1.074 -9.973 1.00 0.18 H new ATOM 0 HA VAL A 6 -5.978 -1.283 -10.596 1.00 0.15 H new ATOM 0 HB VAL A 6 -4.160 -2.632 -9.551 1.00 0.16 H new ATOM 0 HG11 VAL A 6 -2.620 -2.525 -11.480 1.00 0.23 H new ATOM 0 HG12 VAL A 6 -4.325 -2.444 -11.985 1.00 0.23 H new ATOM 0 HG13 VAL A 6 -3.335 -0.965 -11.953 1.00 0.23 H new ATOM 0 HG21 VAL A 6 -1.917 -1.644 -9.310 1.00 0.17 H new ATOM 0 HG22 VAL A 6 -2.592 -0.040 -9.683 1.00 0.17 H new ATOM 0 HG23 VAL A 6 -3.097 -0.897 -8.207 1.00 0.17 H new ATOM 95 N VAL A 7 -6.781 -1.544 -8.298 1.00 0.14 N ATOM 96 CA VAL A 7 -7.375 -1.685 -6.988 1.00 0.13 C ATOM 97 C VAL A 7 -7.179 -3.111 -6.504 1.00 0.14 C ATOM 98 O VAL A 7 -7.304 -4.061 -7.275 1.00 0.17 O ATOM 99 CB VAL A 7 -8.881 -1.324 -6.999 1.00 0.13 C ATOM 100 CG1 VAL A 7 -9.651 -2.183 -7.991 1.00 0.16 C ATOM 101 CG2 VAL A 7 -9.472 -1.458 -5.604 1.00 0.13 C ATOM 0 H VAL A 7 -7.237 -2.101 -9.021 1.00 0.14 H new ATOM 0 HA VAL A 7 -6.881 -0.990 -6.309 1.00 0.13 H new ATOM 0 HB VAL A 7 -8.972 -0.286 -7.318 1.00 0.13 H new ATOM 0 HG11 VAL A 7 -10.704 -1.904 -7.973 1.00 0.16 H new ATOM 0 HG12 VAL A 7 -9.251 -2.028 -8.993 1.00 0.16 H new ATOM 0 HG13 VAL A 7 -9.550 -3.233 -7.718 1.00 0.16 H new ATOM 0 HG21 VAL A 7 -10.531 -1.200 -5.631 1.00 0.13 H new ATOM 0 HG22 VAL A 7 -9.357 -2.485 -5.257 1.00 0.13 H new ATOM 0 HG23 VAL A 7 -8.952 -0.785 -4.922 1.00 0.13 H new ATOM 111 N ARG A 8 -6.857 -3.264 -5.238 1.00 0.14 N ATOM 112 CA ARG A 8 -6.529 -4.562 -4.702 1.00 0.15 C ATOM 113 C ARG A 8 -7.589 -5.009 -3.731 1.00 0.14 C ATOM 114 O ARG A 8 -8.234 -4.193 -3.076 1.00 0.17 O ATOM 115 CB ARG A 8 -5.174 -4.540 -4.009 1.00 0.18 C ATOM 116 CG ARG A 8 -4.108 -5.379 -4.700 1.00 0.28 C ATOM 117 CD ARG A 8 -3.778 -4.862 -6.097 1.00 0.34 C ATOM 118 NE ARG A 8 -4.708 -5.340 -7.121 1.00 0.67 N ATOM 119 CZ ARG A 8 -4.350 -5.614 -8.377 1.00 0.56 C ATOM 120 NH1 ARG A 8 -3.072 -5.535 -8.735 1.00 0.87 N ATOM 121 NH2 ARG A 8 -5.265 -5.978 -9.267 1.00 1.21 N ATOM 0 H ARG A 8 -6.816 -2.502 -4.561 1.00 0.14 H new ATOM 0 HA ARG A 8 -6.482 -5.266 -5.533 1.00 0.15 H new ATOM 0 HB2 ARG A 8 -4.826 -3.509 -3.948 1.00 0.18 H new ATOM 0 HB3 ARG A 8 -5.295 -4.897 -2.986 1.00 0.18 H new ATOM 0 HG2 ARG A 8 -3.202 -5.383 -4.093 1.00 0.28 H new ATOM 0 HG3 ARG A 8 -4.450 -6.412 -4.769 1.00 0.28 H new ATOM 0 HD2 ARG A 8 -3.788 -3.772 -6.086 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -2.766 -5.169 -6.362 1.00 0.34 H new ATOM 0 HE ARG A 8 -5.685 -5.471 -6.860 1.00 0.67 H new ATOM 0 HH11 ARG A 8 -2.366 -5.265 -8.050 1.00 0.87 H new ATOM 0 HH12 ARG A 8 -2.797 -5.744 -9.695 1.00 0.87 H new ATOM 0 HH21 ARG A 8 -6.245 -6.049 -8.992 1.00 1.21 H new ATOM 0 HH22 ARG A 8 -4.989 -6.187 -10.226 1.00 1.21 H new ATOM 135 N LYS A 9 -7.779 -6.302 -3.666 1.00 0.14 N ATOM 136 CA LYS A 9 -8.732 -6.883 -2.755 1.00 0.15 C ATOM 137 C LYS A 9 -7.983 -7.685 -1.705 1.00 0.17 C ATOM 138 O LYS A 9 -7.239 -8.612 -2.033 1.00 0.22 O ATOM 139 CB LYS A 9 -9.737 -7.750 -3.519 1.00 0.22 C ATOM 140 CG LYS A 9 -10.992 -7.007 -3.994 1.00 0.51 C ATOM 141 CD LYS A 9 -10.689 -5.698 -4.729 1.00 0.36 C ATOM 142 CE LYS A 9 -9.980 -5.921 -6.061 1.00 0.98 C ATOM 143 NZ LYS A 9 -10.856 -6.581 -7.063 1.00 1.13 N ATOM 0 H LYS A 9 -7.279 -6.980 -4.241 1.00 0.14 H new ATOM 0 HA LYS A 9 -9.299 -6.098 -2.255 1.00 0.15 H new ATOM 0 HB2 LYS A 9 -9.238 -8.183 -4.386 1.00 0.22 H new ATOM 0 HB3 LYS A 9 -10.042 -8.578 -2.880 1.00 0.22 H new ATOM 0 HG2 LYS A 9 -11.563 -7.660 -4.654 1.00 0.51 H new ATOM 0 HG3 LYS A 9 -11.625 -6.792 -3.133 1.00 0.51 H new ATOM 0 HD2 LYS A 9 -11.621 -5.160 -4.904 1.00 0.36 H new ATOM 0 HD3 LYS A 9 -10.070 -5.065 -4.094 1.00 0.36 H new ATOM 0 HE2 LYS A 9 -9.640 -4.963 -6.454 1.00 0.98 H new ATOM 0 HE3 LYS A 9 -9.092 -6.532 -5.899 1.00 0.98 H new ATOM 0 HZ1 LYS A 9 -10.381 -6.589 -7.988 1.00 1.13 H new ATOM 0 HZ2 LYS A 9 -11.050 -7.558 -6.765 1.00 1.13 H new ATOM 0 HZ3 LYS A 9 -11.752 -6.058 -7.139 1.00 1.13 H new ATOM 157 N VAL A 10 -8.165 -7.295 -0.454 1.00 0.16 N ATOM 158 CA VAL A 10 -7.448 -7.877 0.669 1.00 0.18 C ATOM 159 C VAL A 10 -7.608 -9.396 0.719 1.00 0.20 C ATOM 160 O VAL A 10 -8.641 -9.945 0.345 1.00 0.24 O ATOM 161 CB VAL A 10 -7.923 -7.243 2.002 1.00 0.18 C ATOM 162 CG1 VAL A 10 -7.473 -8.051 3.204 1.00 0.20 C ATOM 163 CG2 VAL A 10 -7.413 -5.819 2.117 1.00 0.18 C ATOM 0 H VAL A 10 -8.820 -6.560 -0.187 1.00 0.16 H new ATOM 0 HA VAL A 10 -6.389 -7.661 0.528 1.00 0.18 H new ATOM 0 HB VAL A 10 -9.013 -7.240 1.992 1.00 0.18 H new ATOM 0 HG11 VAL A 10 -7.827 -7.572 4.117 1.00 0.20 H new ATOM 0 HG12 VAL A 10 -7.884 -9.058 3.140 1.00 0.20 H new ATOM 0 HG13 VAL A 10 -6.384 -8.104 3.220 1.00 0.20 H new ATOM 0 HG21 VAL A 10 -7.754 -5.385 3.057 1.00 0.18 H new ATOM 0 HG22 VAL A 10 -6.323 -5.820 2.091 1.00 0.18 H new ATOM 0 HG23 VAL A 10 -7.795 -5.227 1.285 1.00 0.18 H new ATOM 173 N ASP A 11 -6.542 -10.053 1.142 1.00 0.17 N ATOM 174 CA ASP A 11 -6.532 -11.489 1.374 1.00 0.21 C ATOM 175 C ASP A 11 -7.546 -11.848 2.459 1.00 0.22 C ATOM 176 O ASP A 11 -8.658 -12.280 2.157 1.00 0.24 O ATOM 177 CB ASP A 11 -5.098 -11.906 1.748 1.00 0.24 C ATOM 178 CG ASP A 11 -4.988 -13.166 2.583 1.00 0.58 C ATOM 179 OD1 ASP A 11 -5.160 -14.274 2.042 1.00 1.30 O ATOM 180 OD2 ASP A 11 -4.682 -13.040 3.789 1.00 1.31 O ATOM 0 H ASP A 11 -5.649 -9.601 1.336 1.00 0.17 H new ATOM 0 HA ASP A 11 -6.827 -12.033 0.477 1.00 0.21 H new ATOM 0 HB2 ASP A 11 -4.527 -12.047 0.830 1.00 0.24 H new ATOM 0 HB3 ASP A 11 -4.629 -11.087 2.293 1.00 0.24 H new ATOM 185 N GLU A 12 -7.150 -11.652 3.709 1.00 0.23 N ATOM 186 CA GLU A 12 -8.031 -11.784 4.867 1.00 0.25 C ATOM 187 C GLU A 12 -7.483 -10.902 5.974 1.00 0.26 C ATOM 188 O GLU A 12 -8.215 -10.199 6.662 1.00 0.30 O ATOM 189 CB GLU A 12 -8.099 -13.231 5.384 1.00 0.29 C ATOM 190 CG GLU A 12 -8.558 -14.253 4.357 1.00 0.33 C ATOM 191 CD GLU A 12 -8.790 -15.623 4.957 1.00 0.40 C ATOM 192 OE1 GLU A 12 -7.801 -16.355 5.184 1.00 1.23 O ATOM 193 OE2 GLU A 12 -9.962 -15.978 5.204 1.00 1.10 O ATOM 0 H GLU A 12 -6.194 -11.393 3.953 1.00 0.23 H new ATOM 0 HA GLU A 12 -9.037 -11.489 4.569 1.00 0.25 H new ATOM 0 HB2 GLU A 12 -7.112 -13.519 5.747 1.00 0.29 H new ATOM 0 HB3 GLU A 12 -8.775 -13.266 6.238 1.00 0.29 H new ATOM 0 HG2 GLU A 12 -9.480 -13.905 3.891 1.00 0.33 H new ATOM 0 HG3 GLU A 12 -7.811 -14.329 3.567 1.00 0.33 H new ATOM 200 N LEU A 13 -6.161 -10.950 6.113 1.00 0.26 N ATOM 201 CA LEU A 13 -5.446 -10.212 7.145 1.00 0.27 C ATOM 202 C LEU A 13 -5.182 -8.773 6.720 1.00 0.26 C ATOM 203 O LEU A 13 -4.899 -7.909 7.547 1.00 0.41 O ATOM 204 CB LEU A 13 -4.100 -10.888 7.394 1.00 0.30 C ATOM 205 CG LEU A 13 -4.136 -12.410 7.522 1.00 0.31 C ATOM 206 CD1 LEU A 13 -2.753 -12.976 7.253 1.00 0.85 C ATOM 207 CD2 LEU A 13 -4.629 -12.823 8.902 1.00 0.72 C ATOM 0 H LEU A 13 -5.555 -11.505 5.509 1.00 0.26 H new ATOM 0 HA LEU A 13 -6.061 -10.207 8.045 1.00 0.27 H new ATOM 0 HB2 LEU A 13 -3.426 -10.626 6.578 1.00 0.30 H new ATOM 0 HB3 LEU A 13 -3.670 -10.475 8.307 1.00 0.30 H new ATOM 0 HG LEU A 13 -4.832 -12.812 6.786 1.00 0.31 H new ATOM 0 HD11 LEU A 13 -2.780 -14.062 7.345 1.00 0.85 H new ATOM 0 HD12 LEU A 13 -2.438 -12.705 6.245 1.00 0.85 H new ATOM 0 HD13 LEU A 13 -2.046 -12.568 7.976 1.00 0.85 H new ATOM 0 HD21 LEU A 13 -4.647 -13.911 8.972 1.00 0.72 H new ATOM 0 HD22 LEU A 13 -3.959 -12.422 9.663 1.00 0.72 H new ATOM 0 HD23 LEU A 13 -5.634 -12.433 9.061 1.00 0.72 H new ATOM 219 N GLY A 14 -5.260 -8.527 5.426 1.00 0.17 N ATOM 220 CA GLY A 14 -4.873 -7.236 4.890 1.00 0.16 C ATOM 221 C GLY A 14 -3.811 -7.370 3.823 1.00 0.12 C ATOM 222 O GLY A 14 -3.409 -6.392 3.205 1.00 0.12 O ATOM 0 H GLY A 14 -5.585 -9.199 4.731 1.00 0.17 H new ATOM 0 HA2 GLY A 14 -5.748 -6.738 4.472 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.501 -6.604 5.696 1.00 0.16 H new ATOM 226 N ARG A 15 -3.357 -8.596 3.608 1.00 0.12 N ATOM 227 CA ARG A 15 -2.329 -8.870 2.615 1.00 0.11 C ATOM 228 C ARG A 15 -2.869 -8.620 1.208 1.00 0.10 C ATOM 229 O ARG A 15 -3.913 -9.154 0.840 1.00 0.14 O ATOM 230 CB ARG A 15 -1.857 -10.328 2.729 1.00 0.15 C ATOM 231 CG ARG A 15 -1.609 -10.803 4.157 1.00 0.25 C ATOM 232 CD ARG A 15 -1.011 -12.203 4.183 1.00 0.40 C ATOM 233 NE ARG A 15 -1.933 -13.213 3.656 1.00 1.45 N ATOM 234 CZ ARG A 15 -1.544 -14.385 3.157 1.00 1.87 C ATOM 235 NH1 ARG A 15 -0.261 -14.724 3.165 1.00 1.51 N ATOM 236 NH2 ARG A 15 -2.446 -15.227 2.663 1.00 3.03 N ATOM 0 H ARG A 15 -3.686 -9.420 4.111 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.487 -8.202 2.799 1.00 0.11 H new ATOM 0 HB2 ARG A 15 -2.604 -10.975 2.269 1.00 0.15 H new ATOM 0 HB3 ARG A 15 -0.937 -10.445 2.156 1.00 0.15 H new ATOM 0 HG2 ARG A 15 -0.936 -10.109 4.661 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -2.547 -10.796 4.712 1.00 0.25 H new ATOM 0 HD2 ARG A 15 -0.091 -12.214 3.598 1.00 0.40 H new ATOM 0 HD3 ARG A 15 -0.740 -12.461 5.207 1.00 0.40 H new ATOM 0 HE ARG A 15 -2.932 -13.006 3.672 1.00 1.45 H new ATOM 0 HH11 ARG A 15 0.433 -14.086 3.555 1.00 1.51 H new ATOM 0 HH12 ARG A 15 0.031 -15.623 2.782 1.00 1.51 H new ATOM 0 HH21 ARG A 15 -3.434 -14.975 2.666 1.00 3.03 H new ATOM 0 HH22 ARG A 15 -2.150 -16.125 2.280 1.00 3.03 H new ATOM 250 N ILE A 16 -2.171 -7.800 0.431 1.00 0.09 N ATOM 251 CA ILE A 16 -2.576 -7.519 -0.947 1.00 0.09 C ATOM 252 C ILE A 16 -1.339 -7.542 -1.850 1.00 0.10 C ATOM 253 O ILE A 16 -0.226 -7.760 -1.377 1.00 0.12 O ATOM 254 CB ILE A 16 -3.328 -6.161 -1.091 1.00 0.10 C ATOM 255 CG1 ILE A 16 -2.356 -5.003 -1.316 1.00 0.11 C ATOM 256 CG2 ILE A 16 -4.207 -5.885 0.124 1.00 0.13 C ATOM 257 CD1 ILE A 16 -3.014 -3.640 -1.276 1.00 0.13 C ATOM 0 H ILE A 16 -1.323 -7.317 0.728 1.00 0.09 H new ATOM 0 HA ILE A 16 -3.279 -8.295 -1.250 1.00 0.09 H new ATOM 0 HB ILE A 16 -3.969 -6.241 -1.969 1.00 0.10 H new ATOM 0 HG12 ILE A 16 -1.576 -5.042 -0.556 1.00 0.11 H new ATOM 0 HG13 ILE A 16 -1.867 -5.133 -2.282 1.00 0.11 H new ATOM 0 HG21 ILE A 16 -4.718 -4.931 -0.006 1.00 0.13 H new ATOM 0 HG22 ILE A 16 -4.944 -6.681 0.228 1.00 0.13 H new ATOM 0 HG23 ILE A 16 -3.587 -5.845 1.020 1.00 0.13 H new ATOM 0 HD11 ILE A 16 -2.263 -2.868 -1.443 1.00 0.13 H new ATOM 0 HD12 ILE A 16 -3.775 -3.580 -2.054 1.00 0.13 H new ATOM 0 HD13 ILE A 16 -3.479 -3.489 -0.302 1.00 0.13 H new ATOM 269 N VAL A 17 -1.522 -7.312 -3.136 1.00 0.10 N ATOM 270 CA VAL A 17 -0.411 -7.376 -4.071 1.00 0.11 C ATOM 271 C VAL A 17 -0.061 -5.992 -4.602 1.00 0.12 C ATOM 272 O VAL A 17 -0.883 -5.322 -5.224 1.00 0.19 O ATOM 273 CB VAL A 17 -0.697 -8.355 -5.242 1.00 0.15 C ATOM 274 CG1 VAL A 17 -2.038 -8.064 -5.902 1.00 0.19 C ATOM 275 CG2 VAL A 17 0.427 -8.309 -6.270 1.00 0.17 C ATOM 0 H VAL A 17 -2.422 -7.081 -3.557 1.00 0.10 H new ATOM 0 HA VAL A 17 0.448 -7.761 -3.522 1.00 0.11 H new ATOM 0 HB VAL A 17 -0.745 -9.361 -4.824 1.00 0.15 H new ATOM 0 HG11 VAL A 17 -2.203 -8.769 -6.717 1.00 0.19 H new ATOM 0 HG12 VAL A 17 -2.836 -8.166 -5.166 1.00 0.19 H new ATOM 0 HG13 VAL A 17 -2.037 -7.048 -6.296 1.00 0.19 H new ATOM 0 HG21 VAL A 17 0.206 -9.002 -7.082 1.00 0.17 H new ATOM 0 HG22 VAL A 17 0.514 -7.299 -6.669 1.00 0.17 H new ATOM 0 HG23 VAL A 17 1.366 -8.593 -5.795 1.00 0.17 H new ATOM 285 N MET A 18 1.157 -5.557 -4.322 1.00 0.11 N ATOM 286 CA MET A 18 1.647 -4.288 -4.840 1.00 0.12 C ATOM 287 C MET A 18 2.239 -4.494 -6.222 1.00 0.11 C ATOM 288 O MET A 18 2.736 -5.578 -6.532 1.00 0.13 O ATOM 289 CB MET A 18 2.680 -3.668 -3.903 1.00 0.15 C ATOM 290 CG MET A 18 2.049 -3.033 -2.688 1.00 0.28 C ATOM 291 SD MET A 18 0.960 -1.674 -3.138 1.00 0.84 S ATOM 292 CE MET A 18 -0.106 -1.655 -1.711 1.00 0.80 C ATOM 0 H MET A 18 1.825 -6.063 -3.740 1.00 0.11 H new ATOM 0 HA MET A 18 0.807 -3.596 -4.908 1.00 0.12 H new ATOM 0 HB2 MET A 18 3.384 -4.437 -3.583 1.00 0.15 H new ATOM 0 HB3 MET A 18 3.253 -2.916 -4.446 1.00 0.15 H new ATOM 0 HG2 MET A 18 1.484 -3.785 -2.136 1.00 0.28 H new ATOM 0 HG3 MET A 18 2.830 -2.668 -2.021 1.00 0.28 H new ATOM 0 HE1 MET A 18 -1.114 -1.370 -2.013 1.00 0.80 H new ATOM 0 HE2 MET A 18 -0.129 -2.648 -1.261 1.00 0.80 H new ATOM 0 HE3 MET A 18 0.272 -0.936 -0.984 1.00 0.80 H new ATOM 302 N PRO A 19 2.201 -3.468 -7.077 1.00 0.12 N ATOM 303 CA PRO A 19 2.601 -3.607 -8.460 1.00 0.13 C ATOM 304 C PRO A 19 4.102 -3.432 -8.671 1.00 0.13 C ATOM 305 O PRO A 19 4.806 -2.782 -7.878 1.00 0.13 O ATOM 306 CB PRO A 19 1.823 -2.486 -9.145 1.00 0.15 C ATOM 307 CG PRO A 19 1.733 -1.407 -8.121 1.00 0.16 C ATOM 308 CD PRO A 19 1.781 -2.087 -6.767 1.00 0.15 C ATOM 0 HA PRO A 19 2.393 -4.604 -8.849 1.00 0.13 H new ATOM 0 HB2 PRO A 19 2.336 -2.139 -10.042 1.00 0.15 H new ATOM 0 HB3 PRO A 19 0.833 -2.822 -9.454 1.00 0.15 H new ATOM 0 HG2 PRO A 19 2.557 -0.701 -8.229 1.00 0.16 H new ATOM 0 HG3 PRO A 19 0.810 -0.840 -8.237 1.00 0.16 H new ATOM 0 HD2 PRO A 19 2.487 -1.595 -6.098 1.00 0.15 H new ATOM 0 HD3 PRO A 19 0.809 -2.066 -6.275 1.00 0.15 H new ATOM 316 N ILE A 20 4.588 -4.015 -9.758 1.00 0.15 N ATOM 317 CA ILE A 20 5.961 -3.812 -10.189 1.00 0.16 C ATOM 318 C ILE A 20 6.267 -2.317 -10.254 1.00 0.16 C ATOM 319 O ILE A 20 7.366 -1.885 -9.939 1.00 0.16 O ATOM 320 CB ILE A 20 6.209 -4.463 -11.571 1.00 0.20 C ATOM 321 CG1 ILE A 20 7.590 -4.092 -12.132 1.00 0.24 C ATOM 322 CG2 ILE A 20 5.110 -4.071 -12.550 1.00 0.22 C ATOM 323 CD1 ILE A 20 8.750 -4.600 -11.304 1.00 0.26 C ATOM 0 H ILE A 20 4.047 -4.636 -10.360 1.00 0.15 H new ATOM 0 HA ILE A 20 6.623 -4.286 -9.465 1.00 0.16 H new ATOM 0 HB ILE A 20 6.189 -5.544 -11.436 1.00 0.20 H new ATOM 0 HG12 ILE A 20 7.678 -4.489 -13.143 1.00 0.24 H new ATOM 0 HG13 ILE A 20 7.660 -3.007 -12.208 1.00 0.24 H new ATOM 0 HG21 ILE A 20 5.300 -4.538 -13.517 1.00 0.22 H new ATOM 0 HG22 ILE A 20 4.146 -4.407 -12.168 1.00 0.22 H new ATOM 0 HG23 ILE A 20 5.096 -2.987 -12.667 1.00 0.22 H new ATOM 0 HD11 ILE A 20 9.689 -4.296 -11.768 1.00 0.26 H new ATOM 0 HD12 ILE A 20 8.690 -4.183 -10.299 1.00 0.26 H new ATOM 0 HD13 ILE A 20 8.708 -5.688 -11.248 1.00 0.26 H new ATOM 335 N GLU A 21 5.256 -1.541 -10.611 1.00 0.16 N ATOM 336 CA GLU A 21 5.373 -0.095 -10.715 1.00 0.17 C ATOM 337 C GLU A 21 5.779 0.539 -9.389 1.00 0.16 C ATOM 338 O GLU A 21 6.444 1.566 -9.378 1.00 0.19 O ATOM 339 CB GLU A 21 4.046 0.482 -11.190 1.00 0.18 C ATOM 340 CG GLU A 21 3.553 -0.162 -12.470 1.00 0.21 C ATOM 341 CD GLU A 21 4.504 0.059 -13.625 1.00 0.28 C ATOM 342 OE1 GLU A 21 4.556 1.188 -14.154 1.00 1.08 O ATOM 343 OE2 GLU A 21 5.211 -0.896 -14.003 1.00 1.03 O ATOM 0 H GLU A 21 4.328 -1.898 -10.838 1.00 0.16 H new ATOM 0 HA GLU A 21 6.158 0.134 -11.436 1.00 0.17 H new ATOM 0 HB2 GLU A 21 3.297 0.350 -10.410 1.00 0.18 H new ATOM 0 HB3 GLU A 21 4.156 1.555 -11.347 1.00 0.18 H new ATOM 0 HG2 GLU A 21 3.422 -1.232 -12.309 1.00 0.21 H new ATOM 0 HG3 GLU A 21 2.574 0.244 -12.725 1.00 0.21 H new ATOM 350 N LEU A 22 5.403 -0.077 -8.272 1.00 0.14 N ATOM 351 CA LEU A 22 5.801 0.444 -6.974 1.00 0.15 C ATOM 352 C LEU A 22 7.222 0.008 -6.682 1.00 0.15 C ATOM 353 O LEU A 22 8.002 0.744 -6.079 1.00 0.17 O ATOM 354 CB LEU A 22 4.832 0.008 -5.859 1.00 0.18 C ATOM 355 CG LEU A 22 5.461 -0.690 -4.641 1.00 0.15 C ATOM 356 CD1 LEU A 22 4.615 -0.455 -3.403 1.00 0.19 C ATOM 357 CD2 LEU A 22 5.609 -2.186 -4.884 1.00 0.20 C ATOM 0 H LEU A 22 4.833 -0.923 -8.241 1.00 0.14 H new ATOM 0 HA LEU A 22 5.760 1.533 -7.002 1.00 0.15 H new ATOM 0 HB2 LEU A 22 4.296 0.890 -5.508 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.092 -0.664 -6.293 1.00 0.18 H new ATOM 0 HG LEU A 22 6.452 -0.264 -4.486 1.00 0.15 H new ATOM 0 HD11 LEU A 22 5.073 -0.955 -2.549 1.00 0.19 H new ATOM 0 HD12 LEU A 22 4.550 0.615 -3.205 1.00 0.19 H new ATOM 0 HD13 LEU A 22 3.614 -0.856 -3.565 1.00 0.19 H new ATOM 0 HD21 LEU A 22 6.056 -2.655 -4.007 1.00 0.20 H new ATOM 0 HD22 LEU A 22 4.628 -2.623 -5.069 1.00 0.20 H new ATOM 0 HD23 LEU A 22 6.249 -2.352 -5.750 1.00 0.20 H new ATOM 369 N ARG A 23 7.563 -1.192 -7.142 1.00 0.13 N ATOM 370 CA ARG A 23 8.939 -1.670 -7.028 1.00 0.16 C ATOM 371 C ARG A 23 9.863 -0.794 -7.872 1.00 0.20 C ATOM 372 O ARG A 23 11.035 -0.601 -7.543 1.00 0.25 O ATOM 373 CB ARG A 23 9.071 -3.141 -7.457 1.00 0.18 C ATOM 374 CG ARG A 23 8.163 -4.096 -6.695 1.00 0.17 C ATOM 375 CD ARG A 23 8.591 -5.546 -6.874 1.00 0.24 C ATOM 376 NE ARG A 23 8.507 -5.999 -8.262 1.00 0.69 N ATOM 377 CZ ARG A 23 8.816 -7.238 -8.653 1.00 0.53 C ATOM 378 NH1 ARG A 23 9.280 -8.113 -7.772 1.00 0.46 N ATOM 379 NH2 ARG A 23 8.683 -7.602 -9.923 1.00 1.05 N ATOM 0 H ARG A 23 6.918 -1.843 -7.590 1.00 0.13 H new ATOM 0 HA ARG A 23 9.229 -1.606 -5.979 1.00 0.16 H new ATOM 0 HB2 ARG A 23 8.850 -3.219 -8.522 1.00 0.18 H new ATOM 0 HB3 ARG A 23 10.106 -3.456 -7.322 1.00 0.18 H new ATOM 0 HG2 ARG A 23 8.175 -3.841 -5.635 1.00 0.17 H new ATOM 0 HG3 ARG A 23 7.136 -3.975 -7.040 1.00 0.17 H new ATOM 0 HD2 ARG A 23 9.616 -5.663 -6.521 1.00 0.24 H new ATOM 0 HD3 ARG A 23 7.964 -6.184 -6.251 1.00 0.24 H new ATOM 0 HE ARG A 23 8.196 -5.333 -8.969 1.00 0.69 H new ATOM 0 HH11 ARG A 23 9.401 -7.840 -6.797 1.00 0.46 H new ATOM 0 HH12 ARG A 23 9.516 -9.060 -8.069 1.00 0.46 H new ATOM 0 HH21 ARG A 23 8.342 -6.932 -10.612 1.00 1.05 H new ATOM 0 HH22 ARG A 23 8.922 -8.551 -10.209 1.00 1.05 H new ATOM 393 N ARG A 24 9.301 -0.250 -8.945 1.00 0.18 N ATOM 394 CA ARG A 24 10.031 0.589 -9.884 1.00 0.21 C ATOM 395 C ARG A 24 10.070 2.030 -9.398 1.00 0.23 C ATOM 396 O ARG A 24 11.059 2.738 -9.593 1.00 0.27 O ATOM 397 CB ARG A 24 9.368 0.518 -11.260 1.00 0.22 C ATOM 398 CG ARG A 24 9.406 -0.869 -11.874 1.00 0.23 C ATOM 399 CD ARG A 24 8.573 -0.946 -13.145 1.00 0.25 C ATOM 400 NE ARG A 24 9.204 -0.268 -14.276 1.00 0.35 N ATOM 401 CZ ARG A 24 8.597 -0.046 -15.441 1.00 0.47 C ATOM 402 NH1 ARG A 24 7.313 -0.349 -15.603 1.00 0.41 N ATOM 403 NH2 ARG A 24 9.262 0.512 -16.442 1.00 0.71 N ATOM 0 H ARG A 24 8.319 -0.380 -9.188 1.00 0.18 H new ATOM 0 HA ARG A 24 11.055 0.224 -9.957 1.00 0.21 H new ATOM 0 HB2 ARG A 24 8.331 0.841 -11.173 1.00 0.22 H new ATOM 0 HB3 ARG A 24 9.864 1.219 -11.931 1.00 0.22 H new ATOM 0 HG2 ARG A 24 10.438 -1.139 -12.098 1.00 0.23 H new ATOM 0 HG3 ARG A 24 9.036 -1.597 -11.152 1.00 0.23 H new ATOM 0 HD2 ARG A 24 8.405 -1.992 -13.402 1.00 0.25 H new ATOM 0 HD3 ARG A 24 7.595 -0.502 -12.961 1.00 0.25 H new ATOM 0 HE ARG A 24 10.166 0.054 -14.167 1.00 0.35 H new ATOM 0 HH11 ARG A 24 6.784 -0.755 -14.832 1.00 0.41 H new ATOM 0 HH12 ARG A 24 6.857 -0.175 -16.499 1.00 0.41 H new ATOM 0 HH21 ARG A 24 10.241 0.773 -16.322 1.00 0.71 H new ATOM 0 HH22 ARG A 24 8.795 0.681 -17.333 1.00 0.71 H new ATOM 417 N ALA A 25 8.983 2.449 -8.763 1.00 0.21 N ATOM 418 CA ALA A 25 8.853 3.812 -8.268 1.00 0.23 C ATOM 419 C ALA A 25 9.793 4.038 -7.104 1.00 0.25 C ATOM 420 O ALA A 25 10.480 5.057 -7.019 1.00 0.26 O ATOM 421 CB ALA A 25 7.422 4.086 -7.838 1.00 0.23 C ATOM 0 H ALA A 25 8.172 1.858 -8.578 1.00 0.21 H new ATOM 0 HA ALA A 25 9.115 4.498 -9.074 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.342 5.109 -7.471 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.754 3.953 -8.689 1.00 0.23 H new ATOM 0 HB3 ALA A 25 7.141 3.393 -7.045 1.00 0.23 H new ATOM 427 N LEU A 26 9.827 3.059 -6.223 1.00 0.30 N ATOM 428 CA LEU A 26 10.628 3.146 -5.023 1.00 0.36 C ATOM 429 C LEU A 26 12.033 2.611 -5.253 1.00 0.39 C ATOM 430 O LEU A 26 12.928 3.351 -5.664 1.00 0.52 O ATOM 431 CB LEU A 26 9.946 2.375 -3.896 1.00 0.33 C ATOM 432 CG LEU A 26 8.638 2.979 -3.393 1.00 0.37 C ATOM 433 CD1 LEU A 26 7.960 2.030 -2.417 1.00 0.37 C ATOM 434 CD2 LEU A 26 8.903 4.326 -2.736 1.00 0.47 C ATOM 0 H LEU A 26 9.304 2.188 -6.319 1.00 0.30 H new ATOM 0 HA LEU A 26 10.716 4.196 -4.745 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.750 1.359 -4.239 1.00 0.33 H new ATOM 0 HB3 LEU A 26 10.639 2.300 -3.058 1.00 0.33 H new ATOM 0 HG LEU A 26 7.971 3.133 -4.241 1.00 0.37 H new ATOM 0 HD11 LEU A 26 7.028 2.474 -2.066 1.00 0.37 H new ATOM 0 HD12 LEU A 26 7.747 1.085 -2.917 1.00 0.37 H new ATOM 0 HD13 LEU A 26 8.619 1.850 -1.567 1.00 0.37 H new ATOM 0 HD21 LEU A 26 7.963 4.749 -2.381 1.00 0.47 H new ATOM 0 HD22 LEU A 26 9.582 4.193 -1.894 1.00 0.47 H new ATOM 0 HD23 LEU A 26 9.353 5.003 -3.462 1.00 0.47 H new ATOM 446 N ASP A 27 12.196 1.313 -5.025 1.00 0.32 N ATOM 447 CA ASP A 27 13.496 0.654 -5.042 1.00 0.41 C ATOM 448 C ASP A 27 13.322 -0.742 -4.464 1.00 0.35 C ATOM 449 O ASP A 27 13.888 -1.083 -3.431 1.00 0.57 O ATOM 450 CB ASP A 27 14.524 1.448 -4.218 1.00 0.60 C ATOM 451 CG ASP A 27 15.905 0.821 -4.214 1.00 0.85 C ATOM 452 OD1 ASP A 27 16.523 0.713 -5.296 1.00 1.72 O ATOM 453 OD2 ASP A 27 16.386 0.457 -3.121 1.00 1.36 O ATOM 0 H ASP A 27 11.421 0.682 -4.821 1.00 0.32 H new ATOM 0 HA ASP A 27 13.869 0.598 -6.065 1.00 0.41 H new ATOM 0 HB2 ASP A 27 14.594 2.460 -4.616 1.00 0.60 H new ATOM 0 HB3 ASP A 27 14.168 1.533 -3.191 1.00 0.60 H new ATOM 458 N ILE A 28 12.462 -1.522 -5.090 1.00 0.22 N ATOM 459 CA ILE A 28 12.207 -2.881 -4.634 1.00 0.18 C ATOM 460 C ILE A 28 12.660 -3.887 -5.680 1.00 0.22 C ATOM 461 O ILE A 28 12.388 -3.721 -6.869 1.00 0.28 O ATOM 462 CB ILE A 28 10.710 -3.127 -4.293 1.00 0.15 C ATOM 463 CG1 ILE A 28 10.297 -2.401 -3.005 1.00 0.14 C ATOM 464 CG2 ILE A 28 10.427 -4.612 -4.156 1.00 0.16 C ATOM 465 CD1 ILE A 28 10.105 -0.913 -3.167 1.00 0.19 C ATOM 0 H ILE A 28 11.928 -1.242 -5.913 1.00 0.22 H new ATOM 0 HA ILE A 28 12.781 -3.014 -3.717 1.00 0.18 H new ATOM 0 HB ILE A 28 10.121 -2.724 -5.117 1.00 0.15 H new ATOM 0 HG12 ILE A 28 9.369 -2.838 -2.637 1.00 0.14 H new ATOM 0 HG13 ILE A 28 11.056 -2.577 -2.243 1.00 0.14 H new ATOM 0 HG21 ILE A 28 9.374 -4.761 -3.917 1.00 0.16 H new ATOM 0 HG22 ILE A 28 10.661 -5.115 -5.094 1.00 0.16 H new ATOM 0 HG23 ILE A 28 11.042 -5.028 -3.358 1.00 0.16 H new ATOM 0 HD11 ILE A 28 9.814 -0.477 -2.211 1.00 0.19 H new ATOM 0 HD12 ILE A 28 11.038 -0.460 -3.503 1.00 0.19 H new ATOM 0 HD13 ILE A 28 9.324 -0.725 -3.904 1.00 0.19 H new ATOM 477 N ALA A 29 13.357 -4.921 -5.236 1.00 0.21 N ATOM 478 CA ALA A 29 13.848 -5.941 -6.140 1.00 0.25 C ATOM 479 C ALA A 29 12.971 -7.177 -6.099 1.00 0.25 C ATOM 480 O ALA A 29 12.375 -7.573 -7.100 1.00 0.30 O ATOM 481 CB ALA A 29 15.288 -6.302 -5.807 1.00 0.30 C ATOM 0 H ALA A 29 13.594 -5.073 -4.256 1.00 0.21 H new ATOM 0 HA ALA A 29 13.814 -5.536 -7.151 1.00 0.25 H new ATOM 0 HB1 ALA A 29 15.639 -7.070 -6.497 1.00 0.30 H new ATOM 0 HB2 ALA A 29 15.916 -5.416 -5.900 1.00 0.30 H new ATOM 0 HB3 ALA A 29 15.342 -6.680 -4.786 1.00 0.30 H new ATOM 487 N ILE A 30 12.872 -7.762 -4.924 1.00 0.23 N ATOM 488 CA ILE A 30 12.122 -8.997 -4.749 1.00 0.25 C ATOM 489 C ILE A 30 11.400 -8.970 -3.410 1.00 0.22 C ATOM 490 O ILE A 30 10.319 -9.522 -3.267 1.00 0.22 O ATOM 491 CB ILE A 30 13.051 -10.240 -4.873 1.00 0.29 C ATOM 492 CG1 ILE A 30 12.247 -11.555 -4.918 1.00 0.32 C ATOM 493 CG2 ILE A 30 14.083 -10.268 -3.749 1.00 0.30 C ATOM 494 CD1 ILE A 30 11.887 -12.133 -3.564 1.00 0.33 C ATOM 0 H ILE A 30 13.301 -7.404 -4.071 1.00 0.23 H new ATOM 0 HA ILE A 30 11.379 -9.076 -5.542 1.00 0.25 H new ATOM 0 HB ILE A 30 13.583 -10.152 -5.820 1.00 0.29 H new ATOM 0 HG12 ILE A 30 11.328 -11.382 -5.478 1.00 0.32 H new ATOM 0 HG13 ILE A 30 12.823 -12.297 -5.471 1.00 0.32 H new ATOM 0 HG21 ILE A 30 14.718 -11.147 -3.860 1.00 0.30 H new ATOM 0 HG22 ILE A 30 14.696 -9.368 -3.796 1.00 0.30 H new ATOM 0 HG23 ILE A 30 13.572 -10.309 -2.787 1.00 0.30 H new ATOM 0 HD11 ILE A 30 11.323 -13.056 -3.701 1.00 0.33 H new ATOM 0 HD12 ILE A 30 12.798 -12.344 -3.004 1.00 0.33 H new ATOM 0 HD13 ILE A 30 11.280 -11.415 -3.012 1.00 0.33 H new ATOM 506 N LYS A 31 12.009 -8.305 -2.441 1.00 0.21 N ATOM 507 CA LYS A 31 11.402 -8.090 -1.142 1.00 0.19 C ATOM 508 C LYS A 31 11.600 -6.639 -0.735 1.00 0.17 C ATOM 509 O LYS A 31 10.642 -5.904 -0.500 1.00 0.17 O ATOM 510 CB LYS A 31 12.034 -9.009 -0.091 1.00 0.22 C ATOM 511 CG LYS A 31 12.031 -10.483 -0.467 1.00 0.26 C ATOM 512 CD LYS A 31 12.384 -11.360 0.721 1.00 0.35 C ATOM 513 CE LYS A 31 11.335 -11.243 1.808 1.00 0.47 C ATOM 514 NZ LYS A 31 11.689 -12.021 3.021 1.00 1.46 N ATOM 0 H LYS A 31 12.940 -7.899 -2.536 1.00 0.21 H new ATOM 0 HA LYS A 31 10.338 -8.319 -1.206 1.00 0.19 H new ATOM 0 HB2 LYS A 31 13.063 -8.692 0.081 1.00 0.22 H new ATOM 0 HB3 LYS A 31 11.500 -8.885 0.851 1.00 0.22 H new ATOM 0 HG2 LYS A 31 11.048 -10.761 -0.847 1.00 0.26 H new ATOM 0 HG3 LYS A 31 12.744 -10.656 -1.273 1.00 0.26 H new ATOM 0 HD2 LYS A 31 12.467 -12.398 0.400 1.00 0.35 H new ATOM 0 HD3 LYS A 31 13.357 -11.070 1.116 1.00 0.35 H new ATOM 0 HE2 LYS A 31 11.209 -10.194 2.076 1.00 0.47 H new ATOM 0 HE3 LYS A 31 10.376 -11.591 1.423 1.00 0.47 H new ATOM 0 HZ1 LYS A 31 10.941 -11.909 3.735 1.00 1.46 H new ATOM 0 HZ2 LYS A 31 11.784 -13.027 2.773 1.00 1.46 H new ATOM 0 HZ3 LYS A 31 12.590 -11.673 3.406 1.00 1.46 H new ATOM 528 N ASP A 32 12.863 -6.240 -0.714 1.00 0.17 N ATOM 529 CA ASP A 32 13.285 -4.909 -0.286 1.00 0.16 C ATOM 530 C ASP A 32 12.503 -4.366 0.915 1.00 0.17 C ATOM 531 O ASP A 32 12.521 -4.980 1.975 1.00 0.25 O ATOM 532 CB ASP A 32 13.279 -3.956 -1.469 1.00 0.16 C ATOM 533 CG ASP A 32 14.659 -3.876 -2.079 1.00 0.20 C ATOM 534 OD1 ASP A 32 15.530 -3.194 -1.497 1.00 1.18 O ATOM 535 OD2 ASP A 32 14.890 -4.526 -3.112 1.00 1.05 O ATOM 0 H ASP A 32 13.638 -6.839 -0.998 1.00 0.17 H new ATOM 0 HA ASP A 32 14.308 -4.998 0.081 1.00 0.16 H new ATOM 0 HB2 ASP A 32 12.562 -4.296 -2.216 1.00 0.16 H new ATOM 0 HB3 ASP A 32 12.958 -2.966 -1.146 1.00 0.16 H new ATOM 540 N SER A 33 11.840 -3.216 0.775 1.00 0.13 N ATOM 541 CA SER A 33 11.158 -2.592 1.917 1.00 0.13 C ATOM 542 C SER A 33 10.120 -1.578 1.453 1.00 0.14 C ATOM 543 O SER A 33 10.392 -0.770 0.563 1.00 0.18 O ATOM 544 CB SER A 33 12.159 -1.864 2.827 1.00 0.17 C ATOM 545 OG SER A 33 13.241 -2.700 3.196 1.00 0.21 O ATOM 0 H SER A 33 11.759 -2.702 -0.103 1.00 0.13 H new ATOM 0 HA SER A 33 10.669 -3.396 2.468 1.00 0.13 H new ATOM 0 HB2 SER A 33 12.541 -0.981 2.314 1.00 0.17 H new ATOM 0 HB3 SER A 33 11.647 -1.515 3.724 1.00 0.17 H new ATOM 0 HG SER A 33 12.977 -3.639 3.100 1.00 0.21 H new ATOM 551 N ILE A 34 8.935 -1.617 2.059 1.00 0.13 N ATOM 552 CA ILE A 34 7.906 -0.620 1.800 1.00 0.15 C ATOM 553 C ILE A 34 7.215 -0.257 3.108 1.00 0.13 C ATOM 554 O ILE A 34 6.428 -1.040 3.634 1.00 0.14 O ATOM 555 CB ILE A 34 6.825 -1.095 0.796 1.00 0.20 C ATOM 556 CG1 ILE A 34 7.429 -1.791 -0.429 1.00 0.19 C ATOM 557 CG2 ILE A 34 5.997 0.091 0.346 1.00 0.28 C ATOM 558 CD1 ILE A 34 7.719 -3.261 -0.218 1.00 0.19 C ATOM 0 H ILE A 34 8.666 -2.332 2.735 1.00 0.13 H new ATOM 0 HA ILE A 34 8.412 0.238 1.357 1.00 0.15 H new ATOM 0 HB ILE A 34 6.200 -1.824 1.311 1.00 0.20 H new ATOM 0 HG12 ILE A 34 6.745 -1.683 -1.270 1.00 0.19 H new ATOM 0 HG13 ILE A 34 8.354 -1.284 -0.703 1.00 0.19 H new ATOM 0 HG21 ILE A 34 5.237 -0.243 -0.360 1.00 0.28 H new ATOM 0 HG22 ILE A 34 5.514 0.547 1.211 1.00 0.28 H new ATOM 0 HG23 ILE A 34 6.643 0.824 -0.137 1.00 0.28 H new ATOM 0 HD11 ILE A 34 8.144 -3.682 -1.129 1.00 0.19 H new ATOM 0 HD12 ILE A 34 8.428 -3.378 0.601 1.00 0.19 H new ATOM 0 HD13 ILE A 34 6.794 -3.783 0.026 1.00 0.19 H new ATOM 570 N GLU A 35 7.529 0.910 3.641 1.00 0.14 N ATOM 571 CA GLU A 35 6.949 1.358 4.900 1.00 0.13 C ATOM 572 C GLU A 35 5.862 2.388 4.623 1.00 0.15 C ATOM 573 O GLU A 35 6.052 3.291 3.808 1.00 0.20 O ATOM 574 CB GLU A 35 8.033 1.943 5.807 1.00 0.16 C ATOM 575 CG GLU A 35 7.538 2.343 7.183 1.00 0.28 C ATOM 576 CD GLU A 35 8.671 2.698 8.120 1.00 0.45 C ATOM 577 OE1 GLU A 35 9.253 3.793 7.959 1.00 1.08 O ATOM 578 OE2 GLU A 35 8.985 1.886 9.011 1.00 1.31 O ATOM 0 H GLU A 35 8.185 1.569 3.222 1.00 0.14 H new ATOM 0 HA GLU A 35 6.503 0.506 5.414 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.833 1.211 5.919 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.467 2.817 5.320 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.865 3.195 7.091 1.00 0.28 H new ATOM 0 HG3 GLU A 35 6.959 1.524 7.610 1.00 0.28 H new ATOM 585 N PHE A 36 4.727 2.250 5.294 1.00 0.16 N ATOM 586 CA PHE A 36 3.568 3.073 4.980 1.00 0.17 C ATOM 587 C PHE A 36 3.210 4.053 6.094 1.00 0.18 C ATOM 588 O PHE A 36 3.508 3.841 7.273 1.00 0.19 O ATOM 589 CB PHE A 36 2.349 2.214 4.604 1.00 0.20 C ATOM 590 CG PHE A 36 2.445 0.767 4.987 1.00 0.17 C ATOM 591 CD1 PHE A 36 3.264 -0.100 4.280 1.00 1.16 C ATOM 592 CD2 PHE A 36 1.700 0.268 6.036 1.00 1.25 C ATOM 593 CE1 PHE A 36 3.338 -1.433 4.619 1.00 1.13 C ATOM 594 CE2 PHE A 36 1.770 -1.063 6.379 1.00 1.33 C ATOM 595 CZ PHE A 36 2.590 -1.914 5.671 1.00 0.41 C ATOM 0 H PHE A 36 4.584 1.583 6.052 1.00 0.16 H new ATOM 0 HA PHE A 36 3.854 3.669 4.113 1.00 0.17 H new ATOM 0 HB2 PHE A 36 1.464 2.641 5.077 1.00 0.20 H new ATOM 0 HB3 PHE A 36 2.197 2.279 3.527 1.00 0.20 H new ATOM 0 HD1 PHE A 36 3.851 0.274 3.454 1.00 1.16 H new ATOM 0 HD2 PHE A 36 1.054 0.930 6.594 1.00 1.25 H new ATOM 0 HE1 PHE A 36 3.980 -2.099 4.062 1.00 1.13 H new ATOM 0 HE2 PHE A 36 1.182 -1.440 7.203 1.00 1.33 H new ATOM 0 HZ PHE A 36 2.646 -2.958 5.941 1.00 0.41 H new ATOM 605 N PHE A 37 2.563 5.130 5.676 1.00 0.21 N ATOM 606 CA PHE A 37 2.156 6.227 6.541 1.00 0.25 C ATOM 607 C PHE A 37 0.699 6.538 6.245 1.00 0.32 C ATOM 608 O PHE A 37 0.351 6.819 5.107 1.00 0.65 O ATOM 609 CB PHE A 37 3.054 7.440 6.226 1.00 0.36 C ATOM 610 CG PHE A 37 2.788 8.693 7.019 1.00 0.76 C ATOM 611 CD1 PHE A 37 1.727 9.528 6.703 1.00 1.71 C ATOM 612 CD2 PHE A 37 3.628 9.055 8.057 1.00 1.41 C ATOM 613 CE1 PHE A 37 1.507 10.694 7.410 1.00 2.22 C ATOM 614 CE2 PHE A 37 3.412 10.219 8.772 1.00 1.87 C ATOM 615 CZ PHE A 37 2.351 11.040 8.448 1.00 2.02 C ATOM 0 H PHE A 37 2.300 5.269 4.700 1.00 0.21 H new ATOM 0 HA PHE A 37 2.259 5.975 7.596 1.00 0.25 H new ATOM 0 HB2 PHE A 37 4.092 7.148 6.386 1.00 0.36 H new ATOM 0 HB3 PHE A 37 2.950 7.677 5.167 1.00 0.36 H new ATOM 0 HD1 PHE A 37 1.064 9.263 5.893 1.00 1.71 H new ATOM 0 HD2 PHE A 37 4.464 8.420 8.312 1.00 1.41 H new ATOM 0 HE1 PHE A 37 0.677 11.334 7.152 1.00 2.22 H new ATOM 0 HE2 PHE A 37 4.073 10.485 9.583 1.00 1.87 H new ATOM 0 HZ PHE A 37 2.181 11.950 9.004 1.00 2.02 H new ATOM 625 N VAL A 38 -0.159 6.461 7.243 1.00 0.20 N ATOM 626 CA VAL A 38 -1.568 6.734 7.018 1.00 0.18 C ATOM 627 C VAL A 38 -1.883 8.198 7.292 1.00 0.18 C ATOM 628 O VAL A 38 -1.421 8.777 8.280 1.00 0.23 O ATOM 629 CB VAL A 38 -2.492 5.801 7.842 1.00 0.21 C ATOM 630 CG1 VAL A 38 -2.142 5.827 9.322 1.00 0.27 C ATOM 631 CG2 VAL A 38 -3.958 6.168 7.631 1.00 0.23 C ATOM 0 H VAL A 38 0.087 6.216 8.202 1.00 0.20 H new ATOM 0 HA VAL A 38 -1.770 6.526 5.967 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.333 4.784 7.483 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -2.812 5.161 9.866 1.00 0.27 H new ATOM 0 HG12 VAL A 38 -1.112 5.497 9.458 1.00 0.27 H new ATOM 0 HG13 VAL A 38 -2.251 6.842 9.704 1.00 0.27 H new ATOM 0 HG21 VAL A 38 -4.588 5.501 8.219 1.00 0.23 H new ATOM 0 HG22 VAL A 38 -4.125 7.197 7.948 1.00 0.23 H new ATOM 0 HG23 VAL A 38 -4.210 6.069 6.575 1.00 0.23 H new ATOM 641 N ASP A 39 -2.650 8.782 6.389 1.00 0.17 N ATOM 642 CA ASP A 39 -2.965 10.198 6.428 1.00 0.21 C ATOM 643 C ASP A 39 -4.453 10.405 6.200 1.00 0.23 C ATOM 644 O ASP A 39 -4.941 10.297 5.072 1.00 0.25 O ATOM 645 CB ASP A 39 -2.155 10.947 5.368 1.00 0.25 C ATOM 646 CG ASP A 39 -2.461 12.429 5.330 1.00 0.30 C ATOM 647 OD1 ASP A 39 -2.122 13.135 6.299 1.00 1.13 O ATOM 648 OD2 ASP A 39 -3.033 12.896 4.321 1.00 1.16 O ATOM 0 H ASP A 39 -3.073 8.285 5.605 1.00 0.17 H new ATOM 0 HA ASP A 39 -2.702 10.593 7.409 1.00 0.21 H new ATOM 0 HB2 ASP A 39 -1.092 10.806 5.564 1.00 0.25 H new ATOM 0 HB3 ASP A 39 -2.359 10.514 4.389 1.00 0.25 H new ATOM 653 N GLY A 40 -5.173 10.664 7.283 1.00 0.26 N ATOM 654 CA GLY A 40 -6.612 10.831 7.206 1.00 0.31 C ATOM 655 C GLY A 40 -7.324 9.518 6.940 1.00 0.27 C ATOM 656 O GLY A 40 -7.814 8.862 7.862 1.00 0.32 O ATOM 0 H GLY A 40 -4.783 10.762 8.220 1.00 0.26 H new ATOM 0 HA2 GLY A 40 -6.978 11.259 8.139 1.00 0.31 H new ATOM 0 HA3 GLY A 40 -6.853 11.541 6.414 1.00 0.31 H new ATOM 660 N ASP A 41 -7.377 9.135 5.678 1.00 0.25 N ATOM 661 CA ASP A 41 -7.974 7.871 5.272 1.00 0.25 C ATOM 662 C ASP A 41 -6.989 7.082 4.425 1.00 0.22 C ATOM 663 O ASP A 41 -7.067 5.864 4.326 1.00 0.30 O ATOM 664 CB ASP A 41 -9.262 8.112 4.472 1.00 0.36 C ATOM 665 CG ASP A 41 -9.011 8.744 3.111 1.00 1.20 C ATOM 666 OD1 ASP A 41 -8.591 9.919 3.063 1.00 1.84 O ATOM 667 OD2 ASP A 41 -9.252 8.076 2.080 1.00 2.00 O ATOM 0 H ASP A 41 -7.009 9.689 4.904 1.00 0.25 H new ATOM 0 HA ASP A 41 -8.220 7.303 6.169 1.00 0.25 H new ATOM 0 HB2 ASP A 41 -9.780 7.163 4.335 1.00 0.36 H new ATOM 0 HB3 ASP A 41 -9.925 8.757 5.048 1.00 0.36 H new ATOM 672 N LYS A 42 -6.022 7.792 3.879 1.00 0.21 N ATOM 673 CA LYS A 42 -5.174 7.267 2.831 1.00 0.24 C ATOM 674 C LYS A 42 -3.907 6.648 3.401 1.00 0.17 C ATOM 675 O LYS A 42 -3.488 6.974 4.511 1.00 0.17 O ATOM 676 CB LYS A 42 -4.846 8.412 1.874 1.00 0.36 C ATOM 677 CG LYS A 42 -3.409 8.443 1.387 1.00 0.31 C ATOM 678 CD LYS A 42 -3.110 9.746 0.673 1.00 0.31 C ATOM 679 CE LYS A 42 -3.284 10.934 1.609 1.00 0.73 C ATOM 680 NZ LYS A 42 -3.206 12.232 0.887 1.00 1.05 N ATOM 0 H LYS A 42 -5.803 8.750 4.151 1.00 0.21 H new ATOM 0 HA LYS A 42 -5.695 6.472 2.298 1.00 0.24 H new ATOM 0 HB2 LYS A 42 -5.506 8.345 1.009 1.00 0.36 H new ATOM 0 HB3 LYS A 42 -5.067 9.357 2.371 1.00 0.36 H new ATOM 0 HG2 LYS A 42 -2.731 8.323 2.232 1.00 0.31 H new ATOM 0 HG3 LYS A 42 -3.231 7.605 0.713 1.00 0.31 H new ATOM 0 HD2 LYS A 42 -2.090 9.728 0.288 1.00 0.31 H new ATOM 0 HD3 LYS A 42 -3.773 9.855 -0.185 1.00 0.31 H new ATOM 0 HE2 LYS A 42 -4.247 10.858 2.115 1.00 0.73 H new ATOM 0 HE3 LYS A 42 -2.515 10.902 2.381 1.00 0.73 H new ATOM 0 HZ1 LYS A 42 -3.330 13.013 1.563 1.00 1.05 H new ATOM 0 HZ2 LYS A 42 -2.278 12.317 0.425 1.00 1.05 H new ATOM 0 HZ3 LYS A 42 -3.956 12.275 0.168 1.00 1.05 H new ATOM 694 N ILE A 43 -3.298 5.765 2.629 1.00 0.16 N ATOM 695 CA ILE A 43 -2.064 5.123 3.031 1.00 0.14 C ATOM 696 C ILE A 43 -0.938 5.552 2.091 1.00 0.15 C ATOM 697 O ILE A 43 -1.156 5.699 0.887 1.00 0.17 O ATOM 698 CB ILE A 43 -2.195 3.585 3.006 1.00 0.15 C ATOM 699 CG1 ILE A 43 -3.378 3.118 3.865 1.00 0.14 C ATOM 700 CG2 ILE A 43 -0.906 2.939 3.491 1.00 0.18 C ATOM 701 CD1 ILE A 43 -3.144 3.230 5.362 1.00 0.15 C ATOM 0 H ILE A 43 -3.643 5.476 1.714 1.00 0.16 H new ATOM 0 HA ILE A 43 -1.839 5.429 4.053 1.00 0.14 H new ATOM 0 HB ILE A 43 -2.381 3.278 1.977 1.00 0.15 H new ATOM 0 HG12 ILE A 43 -4.258 3.705 3.601 1.00 0.14 H new ATOM 0 HG13 ILE A 43 -3.602 2.080 3.620 1.00 0.14 H new ATOM 0 HG21 ILE A 43 -1.012 1.854 3.468 1.00 0.18 H new ATOM 0 HG22 ILE A 43 -0.083 3.237 2.841 1.00 0.18 H new ATOM 0 HG23 ILE A 43 -0.698 3.262 4.511 1.00 0.18 H new ATOM 0 HD11 ILE A 43 -4.028 2.880 5.896 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.285 2.620 5.643 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.951 4.270 5.623 1.00 0.15 H new ATOM 713 N ILE A 44 0.248 5.761 2.641 1.00 0.14 N ATOM 714 CA ILE A 44 1.378 6.268 1.869 1.00 0.16 C ATOM 715 C ILE A 44 2.558 5.303 1.940 1.00 0.16 C ATOM 716 O ILE A 44 3.213 5.191 2.973 1.00 0.22 O ATOM 717 CB ILE A 44 1.815 7.652 2.394 1.00 0.20 C ATOM 718 CG1 ILE A 44 0.608 8.597 2.448 1.00 0.28 C ATOM 719 CG2 ILE A 44 2.914 8.231 1.512 1.00 0.22 C ATOM 720 CD1 ILE A 44 0.845 9.851 3.261 1.00 0.27 C ATOM 0 H ILE A 44 0.456 5.587 3.624 1.00 0.14 H new ATOM 0 HA ILE A 44 1.058 6.362 0.831 1.00 0.16 H new ATOM 0 HB ILE A 44 2.213 7.539 3.402 1.00 0.20 H new ATOM 0 HG12 ILE A 44 0.336 8.881 1.431 1.00 0.28 H new ATOM 0 HG13 ILE A 44 -0.243 8.060 2.867 1.00 0.28 H new ATOM 0 HG21 ILE A 44 3.212 9.207 1.895 1.00 0.22 H new ATOM 0 HG22 ILE A 44 3.774 7.562 1.516 1.00 0.22 H new ATOM 0 HG23 ILE A 44 2.543 8.339 0.493 1.00 0.22 H new ATOM 0 HD11 ILE A 44 -0.054 10.467 3.251 1.00 0.27 H new ATOM 0 HD12 ILE A 44 1.086 9.578 4.288 1.00 0.27 H new ATOM 0 HD13 ILE A 44 1.674 10.413 2.830 1.00 0.27 H new ATOM 732 N LEU A 45 2.816 4.605 0.844 1.00 0.15 N ATOM 733 CA LEU A 45 3.888 3.615 0.800 1.00 0.17 C ATOM 734 C LEU A 45 5.176 4.219 0.254 1.00 0.20 C ATOM 735 O LEU A 45 5.164 4.894 -0.776 1.00 0.26 O ATOM 736 CB LEU A 45 3.479 2.412 -0.055 1.00 0.21 C ATOM 737 CG LEU A 45 2.764 1.279 0.693 1.00 0.21 C ATOM 738 CD1 LEU A 45 1.426 1.736 1.248 1.00 0.18 C ATOM 739 CD2 LEU A 45 2.572 0.079 -0.216 1.00 0.32 C ATOM 0 H LEU A 45 2.298 4.704 -0.029 1.00 0.15 H new ATOM 0 HA LEU A 45 4.068 3.282 1.822 1.00 0.17 H new ATOM 0 HB2 LEU A 45 2.827 2.763 -0.855 1.00 0.21 H new ATOM 0 HB3 LEU A 45 4.373 2.004 -0.527 1.00 0.21 H new ATOM 0 HG LEU A 45 3.395 0.989 1.533 1.00 0.21 H new ATOM 0 HD11 LEU A 45 0.947 0.908 1.771 1.00 0.18 H new ATOM 0 HD12 LEU A 45 1.583 2.562 1.942 1.00 0.18 H new ATOM 0 HD13 LEU A 45 0.786 2.066 0.430 1.00 0.18 H new ATOM 0 HD21 LEU A 45 2.063 -0.715 0.332 1.00 0.32 H new ATOM 0 HD22 LEU A 45 1.971 0.368 -1.078 1.00 0.32 H new ATOM 0 HD23 LEU A 45 3.544 -0.280 -0.555 1.00 0.32 H new ATOM 751 N LYS A 46 6.277 3.982 0.965 1.00 0.19 N ATOM 752 CA LYS A 46 7.585 4.477 0.558 1.00 0.30 C ATOM 753 C LYS A 46 8.699 3.541 1.027 1.00 0.22 C ATOM 754 O LYS A 46 8.580 2.883 2.061 1.00 0.30 O ATOM 755 CB LYS A 46 7.796 5.888 1.104 1.00 0.52 C ATOM 756 CG LYS A 46 7.064 6.151 2.411 1.00 0.86 C ATOM 757 CD LYS A 46 7.216 7.593 2.852 1.00 1.04 C ATOM 758 CE LYS A 46 8.626 7.875 3.325 1.00 1.30 C ATOM 759 NZ LYS A 46 8.868 9.331 3.500 1.00 2.16 N ATOM 0 H LYS A 46 6.285 3.445 1.832 1.00 0.19 H new ATOM 0 HA LYS A 46 7.621 4.510 -0.531 1.00 0.30 H new ATOM 0 HB2 LYS A 46 8.863 6.054 1.255 1.00 0.52 H new ATOM 0 HB3 LYS A 46 7.463 6.610 0.359 1.00 0.52 H new ATOM 0 HG2 LYS A 46 6.007 5.916 2.291 1.00 0.86 H new ATOM 0 HG3 LYS A 46 7.452 5.490 3.186 1.00 0.86 H new ATOM 0 HD2 LYS A 46 6.968 8.257 2.024 1.00 1.04 H new ATOM 0 HD3 LYS A 46 6.511 7.807 3.655 1.00 1.04 H new ATOM 0 HE2 LYS A 46 8.802 7.361 4.270 1.00 1.30 H new ATOM 0 HE3 LYS A 46 9.338 7.472 2.605 1.00 1.30 H new ATOM 0 HZ1 LYS A 46 9.696 9.474 4.112 1.00 2.16 H new ATOM 0 HZ2 LYS A 46 9.043 9.768 2.573 1.00 2.16 H new ATOM 0 HZ3 LYS A 46 8.034 9.771 3.938 1.00 2.16 H new ATOM 773 N LYS A 47 9.774 3.478 0.250 1.00 0.27 N ATOM 774 CA LYS A 47 10.896 2.587 0.543 1.00 0.28 C ATOM 775 C LYS A 47 11.683 3.115 1.742 1.00 0.25 C ATOM 776 O LYS A 47 11.958 4.312 1.841 1.00 0.32 O ATOM 777 CB LYS A 47 11.801 2.456 -0.696 1.00 0.37 C ATOM 778 CG LYS A 47 12.515 1.108 -0.833 1.00 0.41 C ATOM 779 CD LYS A 47 13.606 0.913 0.211 1.00 0.36 C ATOM 780 CE LYS A 47 14.251 -0.463 0.123 1.00 0.52 C ATOM 781 NZ LYS A 47 15.025 -0.650 -1.134 1.00 0.39 N ATOM 0 H LYS A 47 9.895 4.037 -0.595 1.00 0.27 H new ATOM 0 HA LYS A 47 10.514 1.597 0.794 1.00 0.28 H new ATOM 0 HB2 LYS A 47 11.197 2.623 -1.588 1.00 0.37 H new ATOM 0 HB3 LYS A 47 12.551 3.246 -0.665 1.00 0.37 H new ATOM 0 HG2 LYS A 47 11.785 0.304 -0.744 1.00 0.41 H new ATOM 0 HG3 LYS A 47 12.953 1.033 -1.828 1.00 0.41 H new ATOM 0 HD2 LYS A 47 14.371 1.679 0.082 1.00 0.36 H new ATOM 0 HD3 LYS A 47 13.182 1.050 1.206 1.00 0.36 H new ATOM 0 HE2 LYS A 47 14.912 -0.606 0.978 1.00 0.52 H new ATOM 0 HE3 LYS A 47 13.477 -1.228 0.187 1.00 0.52 H new ATOM 0 HZ1 LYS A 47 15.680 -1.450 -1.022 1.00 0.39 H new ATOM 0 HZ2 LYS A 47 14.371 -0.845 -1.919 1.00 0.39 H new ATOM 0 HZ3 LYS A 47 15.566 0.214 -1.341 1.00 0.39 H new ATOM 795 N TYR A 48 12.059 2.199 2.629 1.00 0.22 N ATOM 796 CA TYR A 48 12.685 2.533 3.907 1.00 0.22 C ATOM 797 C TYR A 48 14.077 3.136 3.712 1.00 0.27 C ATOM 798 O TYR A 48 14.399 4.171 4.287 1.00 0.32 O ATOM 799 CB TYR A 48 12.784 1.258 4.746 1.00 0.23 C ATOM 800 CG TYR A 48 13.224 1.481 6.175 1.00 0.30 C ATOM 801 CD1 TYR A 48 12.342 1.989 7.122 1.00 1.16 C ATOM 802 CD2 TYR A 48 14.513 1.161 6.579 1.00 1.15 C ATOM 803 CE1 TYR A 48 12.737 2.179 8.432 1.00 1.25 C ATOM 804 CE2 TYR A 48 14.915 1.350 7.885 1.00 1.17 C ATOM 805 CZ TYR A 48 14.023 1.856 8.808 1.00 0.58 C ATOM 806 OH TYR A 48 14.422 2.038 10.111 1.00 0.74 O ATOM 0 H TYR A 48 11.938 1.197 2.482 1.00 0.22 H new ATOM 0 HA TYR A 48 12.074 3.280 4.414 1.00 0.22 H new ATOM 0 HB2 TYR A 48 11.812 0.765 4.751 1.00 0.23 H new ATOM 0 HB3 TYR A 48 13.485 0.575 4.266 1.00 0.23 H new ATOM 0 HD1 TYR A 48 11.333 2.239 6.829 1.00 1.16 H new ATOM 0 HD2 TYR A 48 15.211 0.758 5.860 1.00 1.15 H new ATOM 0 HE1 TYR A 48 12.043 2.578 9.157 1.00 1.25 H new ATOM 0 HE2 TYR A 48 15.923 1.103 8.184 1.00 1.17 H new ATOM 0 HH TYR A 48 15.357 1.760 10.209 1.00 0.74 H new ATOM 816 N LYS A 49 14.892 2.453 2.915 1.00 0.33 N ATOM 817 CA LYS A 49 16.276 2.863 2.643 1.00 0.49 C ATOM 818 C LYS A 49 16.405 4.355 2.286 1.00 0.57 C ATOM 819 O LYS A 49 17.041 5.105 3.028 1.00 0.64 O ATOM 820 CB LYS A 49 16.856 1.995 1.524 1.00 0.63 C ATOM 821 CG LYS A 49 18.353 2.171 1.310 1.00 0.91 C ATOM 822 CD LYS A 49 18.854 1.308 0.160 1.00 2.03 C ATOM 823 CE LYS A 49 18.286 1.760 -1.178 1.00 2.39 C ATOM 824 NZ LYS A 49 18.927 3.005 -1.675 1.00 2.86 N ATOM 0 H LYS A 49 14.616 1.596 2.435 1.00 0.33 H new ATOM 0 HA LYS A 49 16.843 2.718 3.563 1.00 0.49 H new ATOM 0 HB2 LYS A 49 16.653 0.948 1.749 1.00 0.63 H new ATOM 0 HB3 LYS A 49 16.338 2.227 0.594 1.00 0.63 H new ATOM 0 HG2 LYS A 49 18.572 3.219 1.103 1.00 0.91 H new ATOM 0 HG3 LYS A 49 18.886 1.908 2.224 1.00 0.91 H new ATOM 0 HD2 LYS A 49 19.943 1.347 0.124 1.00 2.03 H new ATOM 0 HD3 LYS A 49 18.578 0.269 0.339 1.00 2.03 H new ATOM 0 HE2 LYS A 49 18.421 0.967 -1.913 1.00 2.39 H new ATOM 0 HE3 LYS A 49 17.213 1.922 -1.078 1.00 2.39 H new ATOM 0 HZ1 LYS A 49 18.506 3.271 -2.588 1.00 2.86 H new ATOM 0 HZ2 LYS A 49 18.777 3.771 -0.988 1.00 2.86 H new ATOM 0 HZ3 LYS A 49 19.947 2.845 -1.798 1.00 2.86 H new ATOM 838 N PRO A 50 15.818 4.828 1.161 1.00 0.64 N ATOM 839 CA PRO A 50 15.975 6.223 0.749 1.00 0.86 C ATOM 840 C PRO A 50 15.162 7.183 1.612 1.00 0.91 C ATOM 841 O PRO A 50 15.668 8.210 2.066 1.00 1.81 O ATOM 842 CB PRO A 50 15.473 6.232 -0.697 1.00 1.03 C ATOM 843 CG PRO A 50 14.510 5.099 -0.777 1.00 0.79 C ATOM 844 CD PRO A 50 14.980 4.067 0.212 1.00 0.59 C ATOM 0 HA PRO A 50 17.006 6.562 0.853 1.00 0.86 H new ATOM 0 HB2 PRO A 50 14.990 7.178 -0.941 1.00 1.03 H new ATOM 0 HB3 PRO A 50 16.295 6.102 -1.401 1.00 1.03 H new ATOM 0 HG2 PRO A 50 13.499 5.432 -0.540 1.00 0.79 H new ATOM 0 HG3 PRO A 50 14.481 4.685 -1.785 1.00 0.79 H new ATOM 0 HD2 PRO A 50 14.141 3.589 0.717 1.00 0.59 H new ATOM 0 HD3 PRO A 50 15.550 3.277 -0.277 1.00 0.59 H new ATOM 852 N HIS A 51 13.905 6.838 1.853 1.00 0.98 N ATOM 853 CA HIS A 51 13.008 7.712 2.589 1.00 1.17 C ATOM 854 C HIS A 51 12.562 7.048 3.888 1.00 1.76 C ATOM 855 O HIS A 51 11.449 6.527 3.993 1.00 2.56 O ATOM 856 CB HIS A 51 11.801 8.105 1.725 1.00 2.12 C ATOM 857 CG HIS A 51 12.170 8.884 0.495 1.00 2.93 C ATOM 858 ND1 HIS A 51 11.530 8.733 -0.717 1.00 3.83 N ATOM 859 CD2 HIS A 51 13.123 9.828 0.296 1.00 3.56 C ATOM 860 CE1 HIS A 51 12.076 9.542 -1.603 1.00 4.69 C ATOM 861 NE2 HIS A 51 13.044 10.218 -1.016 1.00 4.56 N ATOM 0 H HIS A 51 13.485 5.959 1.549 1.00 0.98 H new ATOM 0 HA HIS A 51 13.547 8.625 2.844 1.00 1.17 H new ATOM 0 HB2 HIS A 51 11.269 7.202 1.427 1.00 2.12 H new ATOM 0 HB3 HIS A 51 11.112 8.697 2.327 1.00 2.12 H new ATOM 0 HD1 HIS A 51 10.755 8.095 -0.899 1.00 3.83 H new ATOM 0 HD2 HIS A 51 13.816 10.203 1.034 1.00 3.56 H new ATOM 0 HE1 HIS A 51 11.780 9.636 -2.637 1.00 4.69 H new ATOM 870 N GLY A 52 13.463 7.052 4.863 1.00 2.14 N ATOM 871 CA GLY A 52 13.191 6.444 6.151 1.00 3.14 C ATOM 872 C GLY A 52 12.222 7.256 6.959 1.00 2.89 C ATOM 873 O GLY A 52 11.205 6.752 7.442 1.00 3.06 O ATOM 0 H GLY A 52 14.389 7.472 4.782 1.00 2.14 H new ATOM 0 HA2 GLY A 52 12.789 5.442 6.002 1.00 3.14 H new ATOM 0 HA3 GLY A 52 14.123 6.334 6.705 1.00 3.14 H new ATOM 877 N VAL A 53 12.565 8.519 7.111 1.00 2.85 N ATOM 878 CA VAL A 53 11.725 9.479 7.812 1.00 2.75 C ATOM 879 C VAL A 53 10.300 9.467 7.251 1.00 2.07 C ATOM 880 O VAL A 53 10.087 9.189 6.066 1.00 1.96 O ATOM 881 CB VAL A 53 12.326 10.905 7.738 1.00 3.40 C ATOM 882 CG1 VAL A 53 12.343 11.422 6.308 1.00 3.54 C ATOM 883 CG2 VAL A 53 11.581 11.866 8.656 1.00 3.58 C ATOM 0 H VAL A 53 13.435 8.913 6.753 1.00 2.85 H new ATOM 0 HA VAL A 53 11.685 9.183 8.860 1.00 2.75 H new ATOM 0 HB VAL A 53 13.358 10.845 8.084 1.00 3.40 H new ATOM 0 HG11 VAL A 53 12.770 12.425 6.289 1.00 3.54 H new ATOM 0 HG12 VAL A 53 12.946 10.758 5.688 1.00 3.54 H new ATOM 0 HG13 VAL A 53 11.325 11.454 5.921 1.00 3.54 H new ATOM 0 HG21 VAL A 53 12.026 12.858 8.582 1.00 3.58 H new ATOM 0 HG22 VAL A 53 10.533 11.915 8.359 1.00 3.58 H new ATOM 0 HG23 VAL A 53 11.650 11.513 9.685 1.00 3.58 H new ATOM 893 N CYS A 54 9.339 9.720 8.127 1.00 1.91 N ATOM 894 CA CYS A 54 7.926 9.731 7.770 1.00 1.51 C ATOM 895 C CYS A 54 7.654 10.625 6.567 1.00 2.04 C ATOM 896 O CYS A 54 7.319 10.085 5.491 1.00 2.71 O ATOM 897 CB CYS A 54 7.115 10.194 8.973 1.00 1.90 C ATOM 898 SG CYS A 54 8.062 11.226 10.118 1.00 2.87 S ATOM 899 OXT CYS A 54 7.811 11.856 6.690 1.00 2.46 O ATOM 0 H CYS A 54 9.517 9.925 9.110 1.00 1.91 H new ATOM 0 HA CYS A 54 7.630 8.720 7.489 1.00 1.51 H new ATOM 0 HB2 CYS A 54 6.247 10.753 8.624 1.00 1.90 H new ATOM 0 HB3 CYS A 54 6.739 9.321 9.507 1.00 1.90 H new ATOM 0 HG CYS A 54 8.614 12.205 9.465 1.00 2.87 H new TER 905 CYS A 54 ATOM 906 N MET B 1 8.718 9.658 12.901 1.00 2.43 N ATOM 907 CA MET B 1 8.445 8.270 12.470 1.00 1.54 C ATOM 908 C MET B 1 7.092 8.204 11.779 1.00 1.28 C ATOM 909 O MET B 1 6.264 9.103 11.937 1.00 1.95 O ATOM 910 CB MET B 1 8.478 7.307 13.664 1.00 1.98 C ATOM 911 CG MET B 1 7.410 7.567 14.722 1.00 2.66 C ATOM 912 SD MET B 1 7.643 9.129 15.598 1.00 3.87 S ATOM 913 CE MET B 1 6.242 9.093 16.715 1.00 4.74 C ATOM 0 H1 MET B 1 9.729 9.761 13.121 1.00 2.43 H new ATOM 0 H2 MET B 1 8.461 10.316 12.137 1.00 2.43 H new ATOM 0 H3 MET B 1 8.156 9.875 13.748 1.00 2.43 H new ATOM 0 HA MET B 1 9.223 7.966 11.770 1.00 1.54 H new ATOM 0 HB2 MET B 1 8.364 6.288 13.295 1.00 1.98 H new ATOM 0 HB3 MET B 1 9.459 7.367 14.135 1.00 1.98 H new ATOM 0 HG2 MET B 1 6.429 7.567 14.247 1.00 2.66 H new ATOM 0 HG3 MET B 1 7.415 6.749 15.443 1.00 2.66 H new ATOM 0 HE1 MET B 1 6.243 9.994 17.329 1.00 4.74 H new ATOM 0 HE2 MET B 1 5.318 9.048 16.138 1.00 4.74 H new ATOM 0 HE3 MET B 1 6.312 8.216 17.358 1.00 4.74 H new ATOM 925 N LYS B 2 6.876 7.144 11.007 1.00 0.96 N ATOM 926 CA LYS B 2 5.648 6.990 10.233 1.00 0.62 C ATOM 927 C LYS B 2 4.418 6.936 11.134 1.00 0.56 C ATOM 928 O LYS B 2 4.518 6.812 12.355 1.00 0.73 O ATOM 929 CB LYS B 2 5.693 5.711 9.402 1.00 0.60 C ATOM 930 CG LYS B 2 6.866 5.611 8.439 1.00 0.66 C ATOM 931 CD LYS B 2 6.680 6.472 7.202 1.00 0.87 C ATOM 932 CE LYS B 2 7.435 5.890 6.019 1.00 1.74 C ATOM 933 NZ LYS B 2 8.894 5.750 6.292 1.00 2.31 N ATOM 0 H LYS B 2 7.538 6.376 10.900 1.00 0.96 H new ATOM 0 HA LYS B 2 5.575 7.860 9.580 1.00 0.62 H new ATOM 0 HB2 LYS B 2 5.724 4.857 10.079 1.00 0.60 H new ATOM 0 HB3 LYS B 2 4.767 5.633 8.832 1.00 0.60 H new ATOM 0 HG2 LYS B 2 7.780 5.911 8.952 1.00 0.66 H new ATOM 0 HG3 LYS B 2 6.997 4.572 8.138 1.00 0.66 H new ATOM 0 HD2 LYS B 2 5.619 6.546 6.961 1.00 0.87 H new ATOM 0 HD3 LYS B 2 7.033 7.484 7.402 1.00 0.87 H new ATOM 0 HE2 LYS B 2 7.019 4.914 5.770 1.00 1.74 H new ATOM 0 HE3 LYS B 2 7.290 6.530 5.148 1.00 1.74 H new ATOM 0 HZ1 LYS B 2 9.415 5.732 5.392 1.00 2.31 H new ATOM 0 HZ2 LYS B 2 9.219 6.555 6.864 1.00 2.31 H new ATOM 0 HZ3 LYS B 2 9.067 4.865 6.810 1.00 2.31 H new ATOM 947 N SER B 3 3.257 7.015 10.509 1.00 0.42 N ATOM 948 CA SER B 3 1.991 6.899 11.212 1.00 0.40 C ATOM 949 C SER B 3 1.798 5.479 11.717 1.00 0.37 C ATOM 950 O SER B 3 1.384 5.255 12.852 1.00 0.50 O ATOM 951 CB SER B 3 0.849 7.263 10.269 1.00 0.39 C ATOM 952 OG SER B 3 0.939 8.609 9.849 1.00 1.00 O ATOM 0 H SER B 3 3.165 7.161 9.504 1.00 0.42 H new ATOM 0 HA SER B 3 1.996 7.580 12.063 1.00 0.40 H new ATOM 0 HB2 SER B 3 0.869 6.606 9.399 1.00 0.39 H new ATOM 0 HB3 SER B 3 -0.105 7.099 10.770 1.00 0.39 H new ATOM 0 HG SER B 3 1.774 8.742 9.354 1.00 1.00 H new ATOM 958 N ILE B 4 2.113 4.521 10.859 1.00 0.27 N ATOM 959 CA ILE B 4 1.922 3.119 11.185 1.00 0.24 C ATOM 960 C ILE B 4 3.230 2.521 11.687 1.00 0.26 C ATOM 961 O ILE B 4 3.236 1.630 12.536 1.00 0.32 O ATOM 962 CB ILE B 4 1.421 2.324 9.960 1.00 0.22 C ATOM 963 CG1 ILE B 4 0.606 3.238 9.032 1.00 0.27 C ATOM 964 CG2 ILE B 4 0.582 1.136 10.418 1.00 0.23 C ATOM 965 CD1 ILE B 4 -0.028 2.525 7.855 1.00 0.23 C ATOM 0 H ILE B 4 2.502 4.690 9.932 1.00 0.27 H new ATOM 0 HA ILE B 4 1.166 3.053 11.967 1.00 0.24 H new ATOM 0 HB ILE B 4 2.280 1.948 9.404 1.00 0.22 H new ATOM 0 HG12 ILE B 4 -0.178 3.721 9.614 1.00 0.27 H new ATOM 0 HG13 ILE B 4 1.256 4.028 8.656 1.00 0.27 H new ATOM 0 HG21 ILE B 4 0.232 0.580 9.548 1.00 0.23 H new ATOM 0 HG22 ILE B 4 1.188 0.483 11.046 1.00 0.23 H new ATOM 0 HG23 ILE B 4 -0.275 1.494 10.988 1.00 0.23 H new ATOM 0 HD11 ILE B 4 -0.584 3.242 7.252 1.00 0.23 H new ATOM 0 HD12 ILE B 4 0.750 2.065 7.246 1.00 0.23 H new ATOM 0 HD13 ILE B 4 -0.707 1.754 8.219 1.00 0.23 H new ATOM 977 N GLY B 5 4.336 3.026 11.149 1.00 0.27 N ATOM 978 CA GLY B 5 5.654 2.617 11.599 1.00 0.32 C ATOM 979 C GLY B 5 5.958 1.169 11.289 1.00 0.31 C ATOM 980 O GLY B 5 6.721 0.518 12.006 1.00 0.43 O ATOM 0 H GLY B 5 4.341 3.719 10.401 1.00 0.27 H new ATOM 0 HA2 GLY B 5 6.406 3.250 11.128 1.00 0.32 H new ATOM 0 HA3 GLY B 5 5.731 2.777 12.674 1.00 0.32 H new ATOM 984 N VAL B 6 5.357 0.659 10.228 1.00 0.20 N ATOM 985 CA VAL B 6 5.596 -0.706 9.811 1.00 0.16 C ATOM 986 C VAL B 6 6.061 -0.750 8.363 1.00 0.12 C ATOM 987 O VAL B 6 5.479 -0.105 7.485 1.00 0.13 O ATOM 988 CB VAL B 6 4.344 -1.595 9.994 1.00 0.19 C ATOM 989 CG1 VAL B 6 4.026 -1.796 11.467 1.00 0.25 C ATOM 990 CG2 VAL B 6 3.144 -0.996 9.286 1.00 0.22 C ATOM 0 H VAL B 6 4.700 1.173 9.641 1.00 0.20 H new ATOM 0 HA VAL B 6 6.382 -1.105 10.452 1.00 0.16 H new ATOM 0 HB VAL B 6 4.565 -2.565 9.549 1.00 0.19 H new ATOM 0 HG11 VAL B 6 3.141 -2.425 11.566 1.00 0.25 H new ATOM 0 HG12 VAL B 6 4.871 -2.278 11.959 1.00 0.25 H new ATOM 0 HG13 VAL B 6 3.838 -0.829 11.934 1.00 0.25 H new ATOM 0 HG21 VAL B 6 2.277 -1.641 9.430 1.00 0.22 H new ATOM 0 HG22 VAL B 6 2.934 -0.009 9.697 1.00 0.22 H new ATOM 0 HG23 VAL B 6 3.357 -0.908 8.221 1.00 0.22 H new ATOM 1000 N VAL B 7 7.117 -1.506 8.128 1.00 0.12 N ATOM 1001 CA VAL B 7 7.667 -1.666 6.797 1.00 0.12 C ATOM 1002 C VAL B 7 7.411 -3.086 6.318 1.00 0.12 C ATOM 1003 O VAL B 7 7.415 -4.031 7.110 1.00 0.15 O ATOM 1004 CB VAL B 7 9.182 -1.345 6.763 1.00 0.13 C ATOM 1005 CG1 VAL B 7 9.983 -2.352 7.578 1.00 0.16 C ATOM 1006 CG2 VAL B 7 9.686 -1.273 5.328 1.00 0.15 C ATOM 0 H VAL B 7 7.615 -2.024 8.852 1.00 0.12 H new ATOM 0 HA VAL B 7 7.174 -0.959 6.130 1.00 0.12 H new ATOM 0 HB VAL B 7 9.326 -0.367 7.222 1.00 0.13 H new ATOM 0 HG11 VAL B 7 11.042 -2.097 7.532 1.00 0.16 H new ATOM 0 HG12 VAL B 7 9.648 -2.329 8.615 1.00 0.16 H new ATOM 0 HG13 VAL B 7 9.833 -3.352 7.170 1.00 0.16 H new ATOM 0 HG21 VAL B 7 10.752 -1.046 5.328 1.00 0.15 H new ATOM 0 HG22 VAL B 7 9.518 -2.231 4.835 1.00 0.15 H new ATOM 0 HG23 VAL B 7 9.149 -0.490 4.793 1.00 0.15 H new ATOM 1016 N ARG B 8 7.151 -3.238 5.036 1.00 0.12 N ATOM 1017 CA ARG B 8 6.832 -4.538 4.485 1.00 0.13 C ATOM 1018 C ARG B 8 7.902 -4.984 3.524 1.00 0.13 C ATOM 1019 O ARG B 8 8.628 -4.168 2.961 1.00 0.16 O ATOM 1020 CB ARG B 8 5.467 -4.518 3.794 1.00 0.15 C ATOM 1021 CG ARG B 8 4.346 -5.071 4.661 1.00 0.30 C ATOM 1022 CD ARG B 8 4.397 -4.474 6.059 1.00 0.18 C ATOM 1023 NE ARG B 8 3.312 -4.930 6.924 1.00 0.55 N ATOM 1024 CZ ARG B 8 3.434 -5.047 8.245 1.00 0.50 C ATOM 1025 NH1 ARG B 8 4.614 -4.828 8.823 1.00 0.55 N ATOM 1026 NH2 ARG B 8 2.384 -5.389 8.986 1.00 1.09 N ATOM 0 H ARG B 8 7.154 -2.477 4.356 1.00 0.12 H new ATOM 0 HA ARG B 8 6.787 -5.251 5.308 1.00 0.13 H new ATOM 0 HB2 ARG B 8 5.226 -3.494 3.510 1.00 0.15 H new ATOM 0 HB3 ARG B 8 5.525 -5.098 2.873 1.00 0.15 H new ATOM 0 HG2 ARG B 8 3.383 -4.850 4.202 1.00 0.30 H new ATOM 0 HG3 ARG B 8 4.429 -6.156 4.721 1.00 0.30 H new ATOM 0 HD2 ARG B 8 5.351 -4.729 6.520 1.00 0.18 H new ATOM 0 HD3 ARG B 8 4.359 -3.387 5.984 1.00 0.18 H new ATOM 0 HE ARG B 8 2.418 -5.170 6.496 1.00 0.55 H new ATOM 0 HH11 ARG B 8 5.421 -4.571 8.254 1.00 0.55 H new ATOM 0 HH12 ARG B 8 4.711 -4.917 9.835 1.00 0.55 H new ATOM 0 HH21 ARG B 8 1.482 -5.563 8.543 1.00 1.09 H new ATOM 0 HH22 ARG B 8 2.481 -5.478 9.998 1.00 1.09 H new ATOM 1040 N LYS B 9 8.004 -6.283 3.363 1.00 0.13 N ATOM 1041 CA LYS B 9 8.977 -6.875 2.474 1.00 0.14 C ATOM 1042 C LYS B 9 8.234 -7.641 1.400 1.00 0.17 C ATOM 1043 O LYS B 9 7.497 -8.586 1.701 1.00 0.21 O ATOM 1044 CB LYS B 9 9.930 -7.803 3.244 1.00 0.19 C ATOM 1045 CG LYS B 9 11.242 -7.151 3.682 1.00 0.54 C ATOM 1046 CD LYS B 9 11.043 -5.867 4.485 1.00 0.26 C ATOM 1047 CE LYS B 9 10.353 -6.118 5.819 1.00 0.79 C ATOM 1048 NZ LYS B 9 11.161 -6.990 6.713 1.00 1.16 N ATOM 0 H LYS B 9 7.414 -6.960 3.846 1.00 0.13 H new ATOM 0 HA LYS B 9 9.585 -6.093 2.019 1.00 0.14 H new ATOM 0 HB2 LYS B 9 9.414 -8.179 4.128 1.00 0.19 H new ATOM 0 HB3 LYS B 9 10.160 -8.665 2.618 1.00 0.19 H new ATOM 0 HG2 LYS B 9 11.810 -7.862 4.282 1.00 0.54 H new ATOM 0 HG3 LYS B 9 11.841 -6.929 2.799 1.00 0.54 H new ATOM 0 HD2 LYS B 9 12.011 -5.399 4.662 1.00 0.26 H new ATOM 0 HD3 LYS B 9 10.451 -5.164 3.899 1.00 0.26 H new ATOM 0 HE2 LYS B 9 10.166 -5.165 6.315 1.00 0.79 H new ATOM 0 HE3 LYS B 9 9.382 -6.581 5.643 1.00 0.79 H new ATOM 0 HZ1 LYS B 9 10.760 -6.971 7.672 1.00 1.16 H new ATOM 0 HZ2 LYS B 9 11.148 -7.965 6.352 1.00 1.16 H new ATOM 0 HZ3 LYS B 9 12.142 -6.645 6.741 1.00 1.16 H new ATOM 1062 N VAL B 10 8.400 -7.203 0.165 1.00 0.16 N ATOM 1063 CA VAL B 10 7.709 -7.793 -0.965 1.00 0.18 C ATOM 1064 C VAL B 10 7.908 -9.305 -1.006 1.00 0.20 C ATOM 1065 O VAL B 10 8.985 -9.812 -0.711 1.00 0.25 O ATOM 1066 CB VAL B 10 8.162 -7.131 -2.299 1.00 0.18 C ATOM 1067 CG1 VAL B 10 7.853 -8.012 -3.494 1.00 0.20 C ATOM 1068 CG2 VAL B 10 7.485 -5.784 -2.465 1.00 0.16 C ATOM 0 H VAL B 10 9.017 -6.429 -0.082 1.00 0.16 H new ATOM 0 HA VAL B 10 6.643 -7.604 -0.841 1.00 0.18 H new ATOM 0 HB VAL B 10 9.243 -6.995 -2.253 1.00 0.18 H new ATOM 0 HG11 VAL B 10 8.184 -7.516 -4.407 1.00 0.20 H new ATOM 0 HG12 VAL B 10 8.374 -8.964 -3.389 1.00 0.20 H new ATOM 0 HG13 VAL B 10 6.779 -8.190 -3.547 1.00 0.20 H new ATOM 0 HG21 VAL B 10 7.807 -5.328 -3.401 1.00 0.16 H new ATOM 0 HG22 VAL B 10 6.404 -5.920 -2.481 1.00 0.16 H new ATOM 0 HG23 VAL B 10 7.757 -5.135 -1.632 1.00 0.16 H new ATOM 1078 N ASP B 11 6.828 -10.007 -1.295 1.00 0.18 N ATOM 1079 CA ASP B 11 6.843 -11.459 -1.438 1.00 0.20 C ATOM 1080 C ASP B 11 7.847 -11.873 -2.511 1.00 0.23 C ATOM 1081 O ASP B 11 8.965 -12.277 -2.197 1.00 0.26 O ATOM 1082 CB ASP B 11 5.425 -11.947 -1.768 1.00 0.23 C ATOM 1083 CG ASP B 11 5.370 -13.347 -2.342 1.00 0.40 C ATOM 1084 OD1 ASP B 11 5.697 -14.309 -1.622 1.00 1.14 O ATOM 1085 OD2 ASP B 11 4.979 -13.480 -3.521 1.00 1.22 O ATOM 0 H ASP B 11 5.909 -9.588 -1.439 1.00 0.18 H new ATOM 0 HA ASP B 11 7.158 -11.922 -0.503 1.00 0.20 H new ATOM 0 HB2 ASP B 11 4.821 -11.914 -0.861 1.00 0.23 H new ATOM 0 HB3 ASP B 11 4.971 -11.257 -2.479 1.00 0.23 H new ATOM 1090 N GLU B 12 7.432 -11.757 -3.765 1.00 0.24 N ATOM 1091 CA GLU B 12 8.310 -11.966 -4.913 1.00 0.28 C ATOM 1092 C GLU B 12 7.781 -11.146 -6.077 1.00 0.27 C ATOM 1093 O GLU B 12 8.537 -10.566 -6.848 1.00 0.34 O ATOM 1094 CB GLU B 12 8.364 -13.447 -5.321 1.00 0.35 C ATOM 1095 CG GLU B 12 8.795 -14.386 -4.209 1.00 0.40 C ATOM 1096 CD GLU B 12 8.954 -15.817 -4.672 1.00 0.48 C ATOM 1097 OE1 GLU B 12 7.942 -16.442 -5.048 1.00 1.17 O ATOM 1098 OE2 GLU B 12 10.095 -16.325 -4.669 1.00 1.22 O ATOM 0 H GLU B 12 6.474 -11.515 -4.018 1.00 0.24 H new ATOM 0 HA GLU B 12 9.319 -11.656 -4.642 1.00 0.28 H new ATOM 0 HB2 GLU B 12 7.379 -13.750 -5.675 1.00 0.35 H new ATOM 0 HB3 GLU B 12 9.052 -13.556 -6.160 1.00 0.35 H new ATOM 0 HG2 GLU B 12 9.740 -14.038 -3.793 1.00 0.40 H new ATOM 0 HG3 GLU B 12 8.060 -14.350 -3.405 1.00 0.40 H new ATOM 1105 N LEU B 13 6.458 -11.108 -6.175 1.00 0.26 N ATOM 1106 CA LEU B 13 5.765 -10.368 -7.225 1.00 0.26 C ATOM 1107 C LEU B 13 5.596 -8.906 -6.841 1.00 0.25 C ATOM 1108 O LEU B 13 5.545 -8.022 -7.696 1.00 0.39 O ATOM 1109 CB LEU B 13 4.380 -10.974 -7.430 1.00 0.32 C ATOM 1110 CG LEU B 13 4.323 -12.497 -7.482 1.00 0.32 C ATOM 1111 CD1 LEU B 13 2.879 -12.954 -7.381 1.00 0.90 C ATOM 1112 CD2 LEU B 13 4.965 -13.017 -8.758 1.00 0.79 C ATOM 0 H LEU B 13 5.833 -11.590 -5.528 1.00 0.26 H new ATOM 0 HA LEU B 13 6.358 -10.430 -8.138 1.00 0.26 H new ATOM 0 HB2 LEU B 13 3.732 -10.632 -6.623 1.00 0.32 H new ATOM 0 HB3 LEU B 13 3.966 -10.582 -8.359 1.00 0.32 H new ATOM 0 HG LEU B 13 4.883 -12.902 -6.640 1.00 0.32 H new ATOM 0 HD11 LEU B 13 2.838 -14.043 -7.418 1.00 0.90 H new ATOM 0 HD12 LEU B 13 2.453 -12.607 -6.440 1.00 0.90 H new ATOM 0 HD13 LEU B 13 2.308 -12.541 -8.212 1.00 0.90 H new ATOM 0 HD21 LEU B 13 4.913 -14.106 -8.774 1.00 0.79 H new ATOM 0 HD22 LEU B 13 4.435 -12.616 -9.622 1.00 0.79 H new ATOM 0 HD23 LEU B 13 6.008 -12.703 -8.795 1.00 0.79 H new ATOM 1124 N GLY B 14 5.506 -8.668 -5.546 1.00 0.15 N ATOM 1125 CA GLY B 14 5.181 -7.352 -5.039 1.00 0.13 C ATOM 1126 C GLY B 14 4.114 -7.440 -3.972 1.00 0.11 C ATOM 1127 O GLY B 14 3.733 -6.444 -3.371 1.00 0.12 O ATOM 0 H GLY B 14 5.655 -9.374 -4.825 1.00 0.15 H new ATOM 0 HA2 GLY B 14 6.076 -6.884 -4.628 1.00 0.13 H new ATOM 0 HA3 GLY B 14 4.835 -6.717 -5.855 1.00 0.13 H new ATOM 1131 N ARG B 15 3.632 -8.656 -3.745 1.00 0.11 N ATOM 1132 CA ARG B 15 2.637 -8.913 -2.713 1.00 0.11 C ATOM 1133 C ARG B 15 3.202 -8.597 -1.326 1.00 0.09 C ATOM 1134 O ARG B 15 4.292 -9.046 -0.982 1.00 0.12 O ATOM 1135 CB ARG B 15 2.192 -10.384 -2.763 1.00 0.14 C ATOM 1136 CG ARG B 15 1.598 -10.811 -4.099 1.00 0.17 C ATOM 1137 CD ARG B 15 0.887 -12.153 -3.999 1.00 0.29 C ATOM 1138 NE ARG B 15 1.812 -13.280 -3.837 1.00 1.30 N ATOM 1139 CZ ARG B 15 1.617 -14.476 -4.399 1.00 1.93 C ATOM 1140 NH1 ARG B 15 0.591 -14.666 -5.217 1.00 1.94 N ATOM 1141 NH2 ARG B 15 2.465 -15.471 -4.173 1.00 2.91 N ATOM 0 H ARG B 15 3.917 -9.485 -4.267 1.00 0.11 H new ATOM 0 HA ARG B 15 1.779 -8.267 -2.899 1.00 0.11 H new ATOM 0 HB2 ARG B 15 3.049 -11.019 -2.540 1.00 0.14 H new ATOM 0 HB3 ARG B 15 1.455 -10.556 -1.979 1.00 0.14 H new ATOM 0 HG2 ARG B 15 0.895 -10.052 -4.443 1.00 0.17 H new ATOM 0 HG3 ARG B 15 2.390 -10.874 -4.845 1.00 0.17 H new ATOM 0 HD2 ARG B 15 0.198 -12.131 -3.155 1.00 0.29 H new ATOM 0 HD3 ARG B 15 0.287 -12.308 -4.896 1.00 0.29 H new ATOM 0 HE ARG B 15 2.646 -13.143 -3.266 1.00 1.30 H new ATOM 0 HH11 ARG B 15 -0.050 -13.899 -5.418 1.00 1.94 H new ATOM 0 HH12 ARG B 15 0.443 -15.580 -5.646 1.00 1.94 H new ATOM 0 HH21 ARG B 15 3.272 -15.325 -3.567 1.00 2.91 H new ATOM 0 HH22 ARG B 15 2.310 -16.382 -4.606 1.00 2.91 H new ATOM 1155 N ILE B 16 2.469 -7.812 -0.542 1.00 0.09 N ATOM 1156 CA ILE B 16 2.879 -7.485 0.824 1.00 0.09 C ATOM 1157 C ILE B 16 1.647 -7.521 1.734 1.00 0.09 C ATOM 1158 O ILE B 16 0.539 -7.780 1.269 1.00 0.11 O ATOM 1159 CB ILE B 16 3.581 -6.093 0.933 1.00 0.11 C ATOM 1160 CG1 ILE B 16 2.569 -4.970 1.204 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.394 -5.786 -0.318 1.00 0.16 C ATOM 1162 CD1 ILE B 16 3.141 -3.573 1.049 1.00 0.14 C ATOM 0 H ILE B 16 1.586 -7.389 -0.828 1.00 0.09 H new ATOM 0 HA ILE B 16 3.613 -8.229 1.136 1.00 0.09 H new ATOM 0 HB ILE B 16 4.263 -6.143 1.782 1.00 0.11 H new ATOM 0 HG12 ILE B 16 1.725 -5.083 0.524 1.00 0.11 H new ATOM 0 HG13 ILE B 16 2.180 -5.082 2.216 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.870 -4.811 -0.212 1.00 0.16 H new ATOM 0 HG22 ILE B 16 5.159 -6.551 -0.452 1.00 0.16 H new ATOM 0 HG23 ILE B 16 3.735 -5.776 -1.186 1.00 0.16 H new ATOM 0 HD11 ILE B 16 2.365 -2.837 1.257 1.00 0.14 H new ATOM 0 HD12 ILE B 16 3.966 -3.438 1.749 1.00 0.14 H new ATOM 0 HD13 ILE B 16 3.504 -3.439 0.030 1.00 0.14 H new ATOM 1174 N VAL B 17 1.826 -7.259 3.017 1.00 0.09 N ATOM 1175 CA VAL B 17 0.704 -7.281 3.943 1.00 0.10 C ATOM 1176 C VAL B 17 0.346 -5.874 4.412 1.00 0.11 C ATOM 1177 O VAL B 17 1.155 -5.184 5.035 1.00 0.16 O ATOM 1178 CB VAL B 17 0.974 -8.202 5.162 1.00 0.14 C ATOM 1179 CG1 VAL B 17 2.347 -7.935 5.765 1.00 0.18 C ATOM 1180 CG2 VAL B 17 -0.116 -8.037 6.217 1.00 0.19 C ATOM 0 H VAL B 17 2.726 -7.031 3.439 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.145 -7.692 3.397 1.00 0.10 H new ATOM 0 HB VAL B 17 0.959 -9.233 4.808 1.00 0.14 H new ATOM 0 HG11 VAL B 17 2.505 -8.596 6.617 1.00 0.18 H new ATOM 0 HG12 VAL B 17 3.116 -8.119 5.015 1.00 0.18 H new ATOM 0 HG13 VAL B 17 2.404 -6.898 6.095 1.00 0.18 H new ATOM 0 HG21 VAL B 17 0.094 -8.692 7.062 1.00 0.19 H new ATOM 0 HG22 VAL B 17 -0.139 -7.002 6.557 1.00 0.19 H new ATOM 0 HG23 VAL B 17 -1.082 -8.299 5.786 1.00 0.19 H new ATOM 1190 N MET B 18 -0.865 -5.446 4.085 1.00 0.10 N ATOM 1191 CA MET B 18 -1.381 -4.178 4.581 1.00 0.11 C ATOM 1192 C MET B 18 -1.920 -4.373 5.989 1.00 0.10 C ATOM 1193 O MET B 18 -2.294 -5.486 6.368 1.00 0.15 O ATOM 1194 CB MET B 18 -2.486 -3.628 3.671 1.00 0.18 C ATOM 1195 CG MET B 18 -1.996 -2.987 2.379 1.00 0.29 C ATOM 1196 SD MET B 18 -1.169 -1.404 2.637 1.00 0.94 S ATOM 1197 CE MET B 18 0.513 -1.926 2.917 1.00 0.54 C ATOM 0 H MET B 18 -1.508 -5.957 3.480 1.00 0.10 H new ATOM 0 HA MET B 18 -0.566 -3.454 4.590 1.00 0.11 H new ATOM 0 HB2 MET B 18 -3.167 -4.441 3.420 1.00 0.18 H new ATOM 0 HB3 MET B 18 -3.062 -2.890 4.229 1.00 0.18 H new ATOM 0 HG2 MET B 18 -1.309 -3.671 1.880 1.00 0.29 H new ATOM 0 HG3 MET B 18 -2.844 -2.841 1.709 1.00 0.29 H new ATOM 0 HE1 MET B 18 1.196 -1.229 2.431 1.00 0.54 H new ATOM 0 HE2 MET B 18 0.715 -1.944 3.988 1.00 0.54 H new ATOM 0 HE3 MET B 18 0.658 -2.924 2.503 1.00 0.54 H new ATOM 1207 N PRO B 19 -1.952 -3.310 6.793 1.00 0.12 N ATOM 1208 CA PRO B 19 -2.358 -3.405 8.178 1.00 0.13 C ATOM 1209 C PRO B 19 -3.865 -3.288 8.375 1.00 0.13 C ATOM 1210 O PRO B 19 -4.589 -2.713 7.546 1.00 0.13 O ATOM 1211 CB PRO B 19 -1.636 -2.225 8.829 1.00 0.15 C ATOM 1212 CG PRO B 19 -1.439 -1.220 7.740 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.583 -1.936 6.420 1.00 0.19 C ATOM 0 HA PRO B 19 -2.108 -4.376 8.605 1.00 0.13 H new ATOM 0 HB2 PRO B 19 -2.226 -1.807 9.645 1.00 0.15 H new ATOM 0 HB3 PRO B 19 -0.681 -2.536 9.252 1.00 0.15 H new ATOM 0 HG2 PRO B 19 -2.174 -0.419 7.822 1.00 0.19 H new ATOM 0 HG3 PRO B 19 -0.454 -0.759 7.819 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.349 -1.473 5.797 1.00 0.19 H new ATOM 0 HD3 PRO B 19 -0.653 -1.914 5.851 1.00 0.19 H new ATOM 1221 N ILE B 20 -4.336 -3.836 9.483 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.714 -3.646 9.897 1.00 0.16 C ATOM 1223 C ILE B 20 -6.003 -2.154 10.018 1.00 0.16 C ATOM 1224 O ILE B 20 -7.108 -1.700 9.765 1.00 0.17 O ATOM 1225 CB ILE B 20 -6.004 -4.358 11.237 1.00 0.18 C ATOM 1226 CG1 ILE B 20 -7.398 -3.997 11.756 1.00 0.20 C ATOM 1227 CG2 ILE B 20 -4.933 -4.028 12.265 1.00 0.18 C ATOM 1228 CD1 ILE B 20 -8.514 -4.538 10.895 1.00 0.22 C ATOM 0 H ILE B 20 -3.782 -4.417 10.112 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.366 -4.087 9.143 1.00 0.16 H new ATOM 0 HB ILE B 20 -5.982 -5.434 11.063 1.00 0.18 H new ATOM 0 HG12 ILE B 20 -7.512 -4.381 12.770 1.00 0.20 H new ATOM 0 HG13 ILE B 20 -7.487 -2.912 11.815 1.00 0.20 H new ATOM 0 HG21 ILE B 20 -5.157 -4.540 13.201 1.00 0.18 H new ATOM 0 HG22 ILE B 20 -3.961 -4.356 11.896 1.00 0.18 H new ATOM 0 HG23 ILE B 20 -4.912 -2.952 12.436 1.00 0.18 H new ATOM 0 HD11 ILE B 20 -9.475 -4.246 11.319 1.00 0.22 H new ATOM 0 HD12 ILE B 20 -8.424 -4.134 9.887 1.00 0.22 H new ATOM 0 HD13 ILE B 20 -8.450 -5.625 10.857 1.00 0.22 H new ATOM 1240 N GLU B 21 -4.967 -1.403 10.360 1.00 0.16 N ATOM 1241 CA GLU B 21 -5.041 0.050 10.455 1.00 0.16 C ATOM 1242 C GLU B 21 -5.460 0.663 9.120 1.00 0.16 C ATOM 1243 O GLU B 21 -6.096 1.706 9.087 1.00 0.18 O ATOM 1244 CB GLU B 21 -3.676 0.593 10.874 1.00 0.18 C ATOM 1245 CG GLU B 21 -3.025 -0.235 11.972 1.00 0.23 C ATOM 1246 CD GLU B 21 -3.752 -0.147 13.298 1.00 0.29 C ATOM 1247 OE1 GLU B 21 -4.809 -0.795 13.451 1.00 1.07 O ATOM 1248 OE2 GLU B 21 -3.260 0.557 14.202 1.00 1.06 O ATOM 0 H GLU B 21 -4.047 -1.784 10.581 1.00 0.16 H new ATOM 0 HA GLU B 21 -5.791 0.318 11.199 1.00 0.16 H new ATOM 0 HB2 GLU B 21 -3.018 0.618 10.006 1.00 0.18 H new ATOM 0 HB3 GLU B 21 -3.789 1.621 11.219 1.00 0.18 H new ATOM 0 HG2 GLU B 21 -2.984 -1.277 11.656 1.00 0.23 H new ATOM 0 HG3 GLU B 21 -1.996 0.098 12.107 1.00 0.23 H new ATOM 1255 N LEU B 22 -5.124 -0.009 8.022 1.00 0.14 N ATOM 1256 CA LEU B 22 -5.517 0.446 6.695 1.00 0.15 C ATOM 1257 C LEU B 22 -6.965 0.073 6.455 1.00 0.15 C ATOM 1258 O LEU B 22 -7.745 0.845 5.894 1.00 0.17 O ATOM 1259 CB LEU B 22 -4.612 -0.172 5.617 1.00 0.15 C ATOM 1260 CG LEU B 22 -5.297 -0.496 4.282 1.00 0.19 C ATOM 1261 CD1 LEU B 22 -4.381 -0.167 3.117 1.00 0.24 C ATOM 1262 CD2 LEU B 22 -5.694 -1.967 4.232 1.00 0.18 C ATOM 0 H LEU B 22 -4.580 -0.872 8.027 1.00 0.14 H new ATOM 0 HA LEU B 22 -5.407 1.529 6.637 1.00 0.15 H new ATOM 0 HB2 LEU B 22 -3.787 0.513 5.424 1.00 0.15 H new ATOM 0 HB3 LEU B 22 -4.178 -1.090 6.014 1.00 0.15 H new ATOM 0 HG LEU B 22 -6.196 0.116 4.203 1.00 0.19 H new ATOM 0 HD11 LEU B 22 -4.885 -0.404 2.180 1.00 0.24 H new ATOM 0 HD12 LEU B 22 -4.133 0.894 3.138 1.00 0.24 H new ATOM 0 HD13 LEU B 22 -3.467 -0.755 3.196 1.00 0.24 H new ATOM 0 HD21 LEU B 22 -6.178 -2.181 3.279 1.00 0.18 H new ATOM 0 HD22 LEU B 22 -4.804 -2.588 4.334 1.00 0.18 H new ATOM 0 HD23 LEU B 22 -6.384 -2.186 5.047 1.00 0.18 H new ATOM 1274 N ARG B 23 -7.316 -1.122 6.899 1.00 0.14 N ATOM 1275 CA ARG B 23 -8.697 -1.584 6.815 1.00 0.15 C ATOM 1276 C ARG B 23 -9.605 -0.709 7.683 1.00 0.19 C ATOM 1277 O ARG B 23 -10.791 -0.533 7.392 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.805 -3.057 7.232 1.00 0.16 C ATOM 1279 CG ARG B 23 -7.963 -3.994 6.378 1.00 0.16 C ATOM 1280 CD ARG B 23 -8.280 -5.460 6.657 1.00 0.35 C ATOM 1281 NE ARG B 23 -7.604 -5.982 7.844 1.00 0.64 N ATOM 1282 CZ ARG B 23 -7.993 -7.081 8.496 1.00 0.58 C ATOM 1283 NH1 ARG B 23 -9.102 -7.719 8.137 1.00 0.73 N ATOM 1284 NH2 ARG B 23 -7.281 -7.544 9.515 1.00 1.30 N ATOM 0 H ARG B 23 -6.670 -1.789 7.320 1.00 0.14 H new ATOM 0 HA ARG B 23 -9.025 -1.501 5.779 1.00 0.15 H new ATOM 0 HB2 ARG B 23 -8.499 -3.155 8.274 1.00 0.16 H new ATOM 0 HB3 ARG B 23 -9.849 -3.367 7.176 1.00 0.16 H new ATOM 0 HG2 ARG B 23 -8.138 -3.779 5.324 1.00 0.16 H new ATOM 0 HG3 ARG B 23 -6.906 -3.809 6.570 1.00 0.16 H new ATOM 0 HD2 ARG B 23 -9.357 -5.575 6.781 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -7.993 -6.058 5.792 1.00 0.35 H new ATOM 0 HE ARG B 23 -6.789 -5.478 8.194 1.00 0.64 H new ATOM 0 HH11 ARG B 23 -9.662 -7.370 7.359 1.00 0.73 H new ATOM 0 HH12 ARG B 23 -9.393 -8.558 8.639 1.00 0.73 H new ATOM 0 HH21 ARG B 23 -6.431 -7.060 9.805 1.00 1.30 H new ATOM 0 HH22 ARG B 23 -7.584 -8.384 10.009 1.00 1.30 H new ATOM 1298 N ARG B 24 -9.013 -0.142 8.725 1.00 0.18 N ATOM 1299 CA ARG B 24 -9.711 0.744 9.646 1.00 0.20 C ATOM 1300 C ARG B 24 -9.735 2.158 9.090 1.00 0.22 C ATOM 1301 O ARG B 24 -10.704 2.900 9.263 1.00 0.26 O ATOM 1302 CB ARG B 24 -9.007 0.731 11.007 1.00 0.22 C ATOM 1303 CG ARG B 24 -9.142 -0.590 11.746 1.00 0.24 C ATOM 1304 CD ARG B 24 -8.251 -0.636 12.976 1.00 0.27 C ATOM 1305 NE ARG B 24 -8.655 0.332 13.992 1.00 0.41 N ATOM 1306 CZ ARG B 24 -7.893 0.694 15.023 1.00 0.67 C ATOM 1307 NH1 ARG B 24 -6.644 0.250 15.123 1.00 0.79 N ATOM 1308 NH2 ARG B 24 -8.372 1.530 15.933 1.00 0.87 N ATOM 0 H ARG B 24 -8.030 -0.285 8.956 1.00 0.18 H new ATOM 0 HA ARG B 24 -10.737 0.396 9.768 1.00 0.20 H new ATOM 0 HB2 ARG B 24 -7.949 0.951 10.862 1.00 0.22 H new ATOM 0 HB3 ARG B 24 -9.417 1.529 11.627 1.00 0.22 H new ATOM 0 HG2 ARG B 24 -10.181 -0.737 12.043 1.00 0.24 H new ATOM 0 HG3 ARG B 24 -8.882 -1.410 11.077 1.00 0.24 H new ATOM 0 HD2 ARG B 24 -8.277 -1.639 13.403 1.00 0.27 H new ATOM 0 HD3 ARG B 24 -7.220 -0.441 12.682 1.00 0.27 H new ATOM 0 HE ARG B 24 -9.578 0.757 13.907 1.00 0.41 H new ATOM 0 HH11 ARG B 24 -6.265 -0.371 14.408 1.00 0.79 H new ATOM 0 HH12 ARG B 24 -6.065 0.530 15.914 1.00 0.79 H new ATOM 0 HH21 ARG B 24 -9.321 1.894 15.842 1.00 0.87 H new ATOM 0 HH22 ARG B 24 -7.792 1.810 16.724 1.00 0.87 H new ATOM 1322 N ALA B 25 -8.652 2.509 8.417 1.00 0.20 N ATOM 1323 CA ALA B 25 -8.484 3.823 7.818 1.00 0.22 C ATOM 1324 C ALA B 25 -9.525 4.065 6.750 1.00 0.26 C ATOM 1325 O ALA B 25 -10.224 5.080 6.749 1.00 0.28 O ATOM 1326 CB ALA B 25 -7.108 3.904 7.180 1.00 0.23 C ATOM 0 H ALA B 25 -7.858 1.885 8.270 1.00 0.20 H new ATOM 0 HA ALA B 25 -8.595 4.576 8.598 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -6.974 4.887 6.728 1.00 0.23 H new ATOM 0 HB2 ALA B 25 -6.344 3.747 7.942 1.00 0.23 H new ATOM 0 HB3 ALA B 25 -7.017 3.136 6.412 1.00 0.23 H new ATOM 1332 N LEU B 26 -9.619 3.108 5.848 1.00 0.28 N ATOM 1333 CA LEU B 26 -10.460 3.238 4.682 1.00 0.37 C ATOM 1334 C LEU B 26 -11.861 2.702 4.937 1.00 0.41 C ATOM 1335 O LEU B 26 -12.760 3.448 5.336 1.00 0.57 O ATOM 1336 CB LEU B 26 -9.824 2.505 3.505 1.00 0.35 C ATOM 1337 CG LEU B 26 -8.482 3.061 3.041 1.00 0.39 C ATOM 1338 CD1 LEU B 26 -7.799 2.085 2.095 1.00 0.40 C ATOM 1339 CD2 LEU B 26 -8.685 4.403 2.356 1.00 0.52 C ATOM 0 H LEU B 26 -9.115 2.223 5.905 1.00 0.28 H new ATOM 0 HA LEU B 26 -10.551 4.299 4.448 1.00 0.37 H new ATOM 0 HB2 LEU B 26 -9.690 1.459 3.779 1.00 0.35 H new ATOM 0 HB3 LEU B 26 -10.519 2.528 2.665 1.00 0.35 H new ATOM 0 HG LEU B 26 -7.842 3.201 3.912 1.00 0.39 H new ATOM 0 HD11 LEU B 26 -6.843 2.498 1.774 1.00 0.40 H new ATOM 0 HD12 LEU B 26 -7.631 1.138 2.608 1.00 0.40 H new ATOM 0 HD13 LEU B 26 -8.433 1.918 1.224 1.00 0.40 H new ATOM 0 HD21 LEU B 26 -7.722 4.793 2.028 1.00 0.52 H new ATOM 0 HD22 LEU B 26 -9.338 4.276 1.493 1.00 0.52 H new ATOM 0 HD23 LEU B 26 -9.141 5.103 3.056 1.00 0.52 H new ATOM 1351 N ASP B 27 -12.017 1.395 4.747 1.00 0.34 N ATOM 1352 CA ASP B 27 -13.324 0.748 4.729 1.00 0.42 C ATOM 1353 C ASP B 27 -13.155 -0.678 4.223 1.00 0.41 C ATOM 1354 O ASP B 27 -13.743 -1.069 3.222 1.00 0.76 O ATOM 1355 CB ASP B 27 -14.280 1.526 3.810 1.00 0.61 C ATOM 1356 CG ASP B 27 -15.687 0.966 3.770 1.00 0.68 C ATOM 1357 OD1 ASP B 27 -16.232 0.624 4.840 1.00 1.54 O ATOM 1358 OD2 ASP B 27 -16.267 0.903 2.663 1.00 1.34 O ATOM 0 H ASP B 27 -11.238 0.753 4.601 1.00 0.34 H new ATOM 0 HA ASP B 27 -13.746 0.734 5.734 1.00 0.42 H new ATOM 0 HB2 ASP B 27 -14.322 2.564 4.141 1.00 0.61 H new ATOM 0 HB3 ASP B 27 -13.873 1.530 2.799 1.00 0.61 H new ATOM 1363 N ILE B 28 -12.287 -1.434 4.879 1.00 0.22 N ATOM 1364 CA ILE B 28 -11.992 -2.796 4.438 1.00 0.18 C ATOM 1365 C ILE B 28 -12.428 -3.789 5.500 1.00 0.23 C ATOM 1366 O ILE B 28 -12.249 -3.554 6.696 1.00 0.31 O ATOM 1367 CB ILE B 28 -10.486 -3.032 4.107 1.00 0.16 C ATOM 1368 CG1 ILE B 28 -10.012 -2.201 2.904 1.00 0.14 C ATOM 1369 CG2 ILE B 28 -10.240 -4.505 3.819 1.00 0.18 C ATOM 1370 CD1 ILE B 28 -10.172 -0.724 3.078 1.00 0.17 C ATOM 0 H ILE B 28 -11.777 -1.135 5.710 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.550 -2.944 3.513 1.00 0.18 H new ATOM 0 HB ILE B 28 -9.917 -2.714 4.980 1.00 0.16 H new ATOM 0 HG12 ILE B 28 -8.961 -2.422 2.716 1.00 0.14 H new ATOM 0 HG13 ILE B 28 -10.567 -2.514 2.019 1.00 0.14 H new ATOM 0 HG21 ILE B 28 -9.186 -4.660 3.589 1.00 0.18 H new ATOM 0 HG22 ILE B 28 -10.511 -5.097 4.693 1.00 0.18 H new ATOM 0 HG23 ILE B 28 -10.846 -4.816 2.968 1.00 0.18 H new ATOM 0 HD11 ILE B 28 -9.814 -0.212 2.185 1.00 0.17 H new ATOM 0 HD12 ILE B 28 -11.225 -0.488 3.235 1.00 0.17 H new ATOM 0 HD13 ILE B 28 -9.594 -0.395 3.941 1.00 0.17 H new ATOM 1382 N ALA B 29 -13.008 -4.887 5.056 1.00 0.24 N ATOM 1383 CA ALA B 29 -13.497 -5.902 5.959 1.00 0.28 C ATOM 1384 C ALA B 29 -12.651 -7.167 5.872 1.00 0.30 C ATOM 1385 O ALA B 29 -12.034 -7.583 6.851 1.00 0.41 O ATOM 1386 CB ALA B 29 -14.955 -6.180 5.652 1.00 0.29 C ATOM 0 H ALA B 29 -13.151 -5.097 4.068 1.00 0.24 H new ATOM 0 HA ALA B 29 -13.418 -5.542 6.985 1.00 0.28 H new ATOM 0 HB1 ALA B 29 -15.330 -6.946 6.331 1.00 0.29 H new ATOM 0 HB2 ALA B 29 -15.535 -5.266 5.780 1.00 0.29 H new ATOM 0 HB3 ALA B 29 -15.050 -6.528 4.624 1.00 0.29 H new ATOM 1392 N ILE B 30 -12.594 -7.749 4.689 1.00 0.26 N ATOM 1393 CA ILE B 30 -11.854 -8.992 4.488 1.00 0.27 C ATOM 1394 C ILE B 30 -11.132 -8.960 3.145 1.00 0.24 C ATOM 1395 O ILE B 30 -10.045 -9.501 3.002 1.00 0.24 O ATOM 1396 CB ILE B 30 -12.793 -10.228 4.596 1.00 0.30 C ATOM 1397 CG1 ILE B 30 -11.997 -11.547 4.626 1.00 0.34 C ATOM 1398 CG2 ILE B 30 -13.819 -10.235 3.467 1.00 0.28 C ATOM 1399 CD1 ILE B 30 -11.696 -12.144 3.265 1.00 0.34 C ATOM 0 H ILE B 30 -13.048 -7.386 3.851 1.00 0.26 H new ATOM 0 HA ILE B 30 -11.108 -9.083 5.277 1.00 0.27 H new ATOM 0 HB ILE B 30 -13.329 -10.149 5.542 1.00 0.30 H new ATOM 0 HG12 ILE B 30 -11.055 -11.374 5.147 1.00 0.34 H new ATOM 0 HG13 ILE B 30 -12.555 -12.278 5.211 1.00 0.34 H new ATOM 0 HG21 ILE B 30 -14.463 -11.109 3.566 1.00 0.28 H new ATOM 0 HG22 ILE B 30 -14.425 -9.330 3.520 1.00 0.28 H new ATOM 0 HG23 ILE B 30 -13.304 -10.271 2.507 1.00 0.28 H new ATOM 0 HD11 ILE B 30 -11.133 -13.069 3.390 1.00 0.34 H new ATOM 0 HD12 ILE B 30 -12.631 -12.355 2.746 1.00 0.34 H new ATOM 0 HD13 ILE B 30 -11.107 -11.437 2.680 1.00 0.34 H new ATOM 1411 N LYS B 31 -11.746 -8.301 2.173 1.00 0.21 N ATOM 1412 CA LYS B 31 -11.136 -8.080 0.870 1.00 0.19 C ATOM 1413 C LYS B 31 -11.336 -6.624 0.472 1.00 0.16 C ATOM 1414 O LYS B 31 -10.384 -5.905 0.177 1.00 0.15 O ATOM 1415 CB LYS B 31 -11.750 -8.997 -0.200 1.00 0.22 C ATOM 1416 CG LYS B 31 -11.712 -10.476 0.147 1.00 0.29 C ATOM 1417 CD LYS B 31 -11.984 -11.344 -1.073 1.00 0.37 C ATOM 1418 CE LYS B 31 -10.851 -11.245 -2.083 1.00 0.47 C ATOM 1419 NZ LYS B 31 -11.078 -12.105 -3.276 1.00 1.38 N ATOM 0 H LYS B 31 -12.681 -7.904 2.265 1.00 0.21 H new ATOM 0 HA LYS B 31 -10.073 -8.313 0.940 1.00 0.19 H new ATOM 0 HB2 LYS B 31 -12.786 -8.701 -0.364 1.00 0.22 H new ATOM 0 HB3 LYS B 31 -11.221 -8.843 -1.141 1.00 0.22 H new ATOM 0 HG2 LYS B 31 -10.737 -10.728 0.563 1.00 0.29 H new ATOM 0 HG3 LYS B 31 -12.452 -10.689 0.918 1.00 0.29 H new ATOM 0 HD2 LYS B 31 -12.109 -12.382 -0.764 1.00 0.37 H new ATOM 0 HD3 LYS B 31 -12.919 -11.036 -1.540 1.00 0.37 H new ATOM 0 HE2 LYS B 31 -10.741 -10.208 -2.401 1.00 0.47 H new ATOM 0 HE3 LYS B 31 -9.915 -11.532 -1.604 1.00 0.47 H new ATOM 0 HZ1 LYS B 31 -10.279 -12.003 -3.934 1.00 1.38 H new ATOM 0 HZ2 LYS B 31 -11.156 -13.098 -2.978 1.00 1.38 H new ATOM 0 HZ3 LYS B 31 -11.957 -11.815 -3.750 1.00 1.38 H new ATOM 1433 N ASP B 32 -12.592 -6.202 0.528 1.00 0.16 N ATOM 1434 CA ASP B 32 -13.016 -4.863 0.120 1.00 0.15 C ATOM 1435 C ASP B 32 -12.269 -4.316 -1.102 1.00 0.15 C ATOM 1436 O ASP B 32 -12.354 -4.900 -2.178 1.00 0.19 O ATOM 1437 CB ASP B 32 -12.963 -3.905 1.301 1.00 0.15 C ATOM 1438 CG ASP B 32 -14.333 -3.777 1.924 1.00 0.20 C ATOM 1439 OD1 ASP B 32 -15.189 -3.081 1.344 1.00 1.05 O ATOM 1440 OD2 ASP B 32 -14.566 -4.399 2.972 1.00 1.17 O ATOM 0 H ASP B 32 -13.358 -6.786 0.862 1.00 0.16 H new ATOM 0 HA ASP B 32 -14.051 -4.953 -0.209 1.00 0.15 H new ATOM 0 HB2 ASP B 32 -12.250 -4.267 2.042 1.00 0.15 H new ATOM 0 HB3 ASP B 32 -12.612 -2.927 0.971 1.00 0.15 H new ATOM 1445 N SER B 33 -11.557 -3.196 -0.952 1.00 0.14 N ATOM 1446 CA SER B 33 -10.916 -2.542 -2.099 1.00 0.14 C ATOM 1447 C SER B 33 -9.817 -1.584 -1.649 1.00 0.13 C ATOM 1448 O SER B 33 -10.021 -0.805 -0.719 1.00 0.15 O ATOM 1449 CB SER B 33 -11.943 -1.726 -2.888 1.00 0.18 C ATOM 1450 OG SER B 33 -13.083 -2.495 -3.228 1.00 0.24 O ATOM 0 H SER B 33 -11.410 -2.726 -0.059 1.00 0.14 H new ATOM 0 HA SER B 33 -10.489 -3.331 -2.718 1.00 0.14 H new ATOM 0 HB2 SER B 33 -12.251 -0.863 -2.298 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.480 -1.342 -3.797 1.00 0.18 H new ATOM 0 HG SER B 33 -13.715 -1.939 -3.729 1.00 0.24 H new ATOM 1456 N ILE B 34 -8.661 -1.632 -2.306 1.00 0.13 N ATOM 1457 CA ILE B 34 -7.611 -0.647 -2.074 1.00 0.13 C ATOM 1458 C ILE B 34 -6.932 -0.299 -3.395 1.00 0.13 C ATOM 1459 O ILE B 34 -6.128 -1.074 -3.901 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.520 -1.129 -1.082 1.00 0.15 C ATOM 1461 CG1 ILE B 34 -7.113 -1.702 0.211 1.00 0.15 C ATOM 1462 CG2 ILE B 34 -5.592 0.022 -0.746 1.00 0.20 C ATOM 1463 CD1 ILE B 34 -7.509 -3.157 0.108 1.00 0.18 C ATOM 0 H ILE B 34 -8.429 -2.341 -3.001 1.00 0.13 H new ATOM 0 HA ILE B 34 -8.101 0.221 -1.633 1.00 0.13 H new ATOM 0 HB ILE B 34 -5.969 -1.932 -1.572 1.00 0.15 H new ATOM 0 HG12 ILE B 34 -6.385 -1.589 1.015 1.00 0.15 H new ATOM 0 HG13 ILE B 34 -7.989 -1.116 0.489 1.00 0.15 H new ATOM 0 HG21 ILE B 34 -4.827 -0.319 -0.049 1.00 0.20 H new ATOM 0 HG22 ILE B 34 -5.117 0.384 -1.658 1.00 0.20 H new ATOM 0 HG23 ILE B 34 -6.164 0.829 -0.289 1.00 0.20 H new ATOM 0 HD11 ILE B 34 -7.920 -3.491 1.061 1.00 0.18 H new ATOM 0 HD12 ILE B 34 -8.261 -3.275 -0.672 1.00 0.18 H new ATOM 0 HD13 ILE B 34 -6.632 -3.756 -0.139 1.00 0.18 H new ATOM 1475 N GLU B 35 -7.269 0.851 -3.955 1.00 0.13 N ATOM 1476 CA GLU B 35 -6.708 1.275 -5.235 1.00 0.14 C ATOM 1477 C GLU B 35 -5.577 2.257 -4.994 1.00 0.15 C ATOM 1478 O GLU B 35 -5.699 3.143 -4.143 1.00 0.20 O ATOM 1479 CB GLU B 35 -7.800 1.912 -6.100 1.00 0.19 C ATOM 1480 CG GLU B 35 -7.358 2.224 -7.523 1.00 0.28 C ATOM 1481 CD GLU B 35 -8.502 2.642 -8.431 1.00 0.51 C ATOM 1482 OE1 GLU B 35 -9.032 3.758 -8.253 1.00 1.12 O ATOM 1483 OE2 GLU B 35 -8.866 1.861 -9.334 1.00 1.33 O ATOM 0 H GLU B 35 -7.929 1.512 -3.545 1.00 0.13 H new ATOM 0 HA GLU B 35 -6.313 0.407 -5.763 1.00 0.14 H new ATOM 0 HB2 GLU B 35 -8.658 1.241 -6.136 1.00 0.19 H new ATOM 0 HB3 GLU B 35 -8.135 2.834 -5.624 1.00 0.19 H new ATOM 0 HG2 GLU B 35 -6.614 3.020 -7.498 1.00 0.28 H new ATOM 0 HG3 GLU B 35 -6.871 1.345 -7.945 1.00 0.28 H new ATOM 1490 N PHE B 36 -4.473 2.106 -5.721 1.00 0.15 N ATOM 1491 CA PHE B 36 -3.303 2.944 -5.446 1.00 0.17 C ATOM 1492 C PHE B 36 -3.017 3.962 -6.549 1.00 0.22 C ATOM 1493 O PHE B 36 -3.421 3.812 -7.705 1.00 0.28 O ATOM 1494 CB PHE B 36 -2.035 2.119 -5.180 1.00 0.22 C ATOM 1495 CG PHE B 36 -2.249 0.639 -5.049 1.00 0.19 C ATOM 1496 CD1 PHE B 36 -2.869 0.112 -3.928 1.00 1.21 C ATOM 1497 CD2 PHE B 36 -1.801 -0.226 -6.031 1.00 1.21 C ATOM 1498 CE1 PHE B 36 -3.041 -1.248 -3.792 1.00 1.21 C ATOM 1499 CE2 PHE B 36 -1.975 -1.589 -5.902 1.00 1.27 C ATOM 1500 CZ PHE B 36 -2.594 -2.098 -4.780 1.00 0.43 C ATOM 0 H PHE B 36 -4.361 1.435 -6.481 1.00 0.15 H new ATOM 0 HA PHE B 36 -3.567 3.489 -4.540 1.00 0.17 H new ATOM 0 HB2 PHE B 36 -1.329 2.297 -5.991 1.00 0.22 H new ATOM 0 HB3 PHE B 36 -1.569 2.485 -4.265 1.00 0.22 H new ATOM 0 HD1 PHE B 36 -3.222 0.775 -3.152 1.00 1.21 H new ATOM 0 HD2 PHE B 36 -1.310 0.169 -6.908 1.00 1.21 H new ATOM 0 HE1 PHE B 36 -3.525 -1.647 -2.913 1.00 1.21 H new ATOM 0 HE2 PHE B 36 -1.627 -2.255 -6.678 1.00 1.27 H new ATOM 0 HZ PHE B 36 -2.729 -3.164 -4.675 1.00 0.43 H new ATOM 1510 N PHE B 37 -2.295 4.994 -6.144 1.00 0.22 N ATOM 1511 CA PHE B 37 -1.894 6.105 -6.998 1.00 0.30 C ATOM 1512 C PHE B 37 -0.426 6.399 -6.723 1.00 0.25 C ATOM 1513 O PHE B 37 -0.048 6.594 -5.579 1.00 0.45 O ATOM 1514 CB PHE B 37 -2.771 7.318 -6.646 1.00 0.48 C ATOM 1515 CG PHE B 37 -2.543 8.561 -7.466 1.00 0.65 C ATOM 1516 CD1 PHE B 37 -1.488 9.417 -7.187 1.00 1.67 C ATOM 1517 CD2 PHE B 37 -3.411 8.892 -8.494 1.00 1.24 C ATOM 1518 CE1 PHE B 37 -1.299 10.572 -7.920 1.00 2.10 C ATOM 1519 CE2 PHE B 37 -3.225 10.045 -9.234 1.00 1.64 C ATOM 1520 CZ PHE B 37 -2.169 10.887 -8.945 1.00 1.80 C ATOM 0 H PHE B 37 -1.961 5.086 -5.185 1.00 0.22 H new ATOM 0 HA PHE B 37 -2.020 5.872 -8.055 1.00 0.30 H new ATOM 0 HB2 PHE B 37 -3.816 7.027 -6.748 1.00 0.48 H new ATOM 0 HB3 PHE B 37 -2.610 7.565 -5.597 1.00 0.48 H new ATOM 0 HD1 PHE B 37 -0.805 9.177 -6.386 1.00 1.67 H new ATOM 0 HD2 PHE B 37 -4.243 8.241 -8.720 1.00 1.24 H new ATOM 0 HE1 PHE B 37 -0.472 11.228 -7.692 1.00 2.10 H new ATOM 0 HE2 PHE B 37 -3.905 10.287 -10.037 1.00 1.64 H new ATOM 0 HZ PHE B 37 -2.024 11.790 -9.520 1.00 1.80 H new ATOM 1530 N VAL B 38 0.409 6.399 -7.742 1.00 0.24 N ATOM 1531 CA VAL B 38 1.824 6.651 -7.519 1.00 0.19 C ATOM 1532 C VAL B 38 2.126 8.138 -7.691 1.00 0.20 C ATOM 1533 O VAL B 38 1.652 8.785 -8.628 1.00 0.24 O ATOM 1534 CB VAL B 38 2.729 5.799 -8.444 1.00 0.23 C ATOM 1535 CG1 VAL B 38 2.510 6.132 -9.912 1.00 0.30 C ATOM 1536 CG2 VAL B 38 4.192 5.975 -8.060 1.00 0.25 C ATOM 0 H VAL B 38 0.144 6.232 -8.713 1.00 0.24 H new ATOM 0 HA VAL B 38 2.051 6.354 -6.495 1.00 0.19 H new ATOM 0 HB VAL B 38 2.454 4.753 -8.307 1.00 0.23 H new ATOM 0 HG11 VAL B 38 3.163 5.513 -10.527 1.00 0.30 H new ATOM 0 HG12 VAL B 38 1.471 5.938 -10.178 1.00 0.30 H new ATOM 0 HG13 VAL B 38 2.739 7.184 -10.085 1.00 0.30 H new ATOM 0 HG21 VAL B 38 4.816 5.371 -8.718 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.470 7.024 -8.159 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.338 5.656 -7.028 1.00 0.25 H new ATOM 1546 N ASP B 39 2.903 8.677 -6.771 1.00 0.20 N ATOM 1547 CA ASP B 39 3.173 10.106 -6.735 1.00 0.26 C ATOM 1548 C ASP B 39 4.659 10.350 -6.540 1.00 0.29 C ATOM 1549 O ASP B 39 5.174 10.240 -5.423 1.00 0.29 O ATOM 1550 CB ASP B 39 2.371 10.766 -5.608 1.00 0.31 C ATOM 1551 CG ASP B 39 2.591 12.265 -5.523 1.00 0.42 C ATOM 1552 OD1 ASP B 39 1.946 13.011 -6.288 1.00 1.17 O ATOM 1553 OD2 ASP B 39 3.396 12.707 -4.680 1.00 1.18 O ATOM 0 H ASP B 39 3.362 8.144 -6.032 1.00 0.20 H new ATOM 0 HA ASP B 39 2.868 10.548 -7.684 1.00 0.26 H new ATOM 0 HB2 ASP B 39 1.310 10.568 -5.761 1.00 0.31 H new ATOM 0 HB3 ASP B 39 2.647 10.309 -4.658 1.00 0.31 H new ATOM 1558 N GLY B 40 5.346 10.649 -7.634 1.00 0.35 N ATOM 1559 CA GLY B 40 6.784 10.841 -7.588 1.00 0.39 C ATOM 1560 C GLY B 40 7.521 9.539 -7.350 1.00 0.34 C ATOM 1561 O GLY B 40 8.033 8.924 -8.287 1.00 0.42 O ATOM 0 H GLY B 40 4.931 10.763 -8.559 1.00 0.35 H new ATOM 0 HA2 GLY B 40 7.121 11.283 -8.526 1.00 0.39 H new ATOM 0 HA3 GLY B 40 7.031 11.548 -6.796 1.00 0.39 H new ATOM 1565 N ASP B 41 7.569 9.123 -6.097 1.00 0.28 N ATOM 1566 CA ASP B 41 8.190 7.861 -5.720 1.00 0.28 C ATOM 1567 C ASP B 41 7.234 7.046 -4.866 1.00 0.23 C ATOM 1568 O ASP B 41 7.347 5.829 -4.770 1.00 0.29 O ATOM 1569 CB ASP B 41 9.481 8.110 -4.931 1.00 0.37 C ATOM 1570 CG ASP B 41 9.229 8.605 -3.513 1.00 1.17 C ATOM 1571 OD1 ASP B 41 8.733 9.742 -3.352 1.00 1.91 O ATOM 1572 OD2 ASP B 41 9.549 7.873 -2.548 1.00 1.84 O ATOM 0 H ASP B 41 7.181 9.647 -5.313 1.00 0.28 H new ATOM 0 HA ASP B 41 8.428 7.312 -6.631 1.00 0.28 H new ATOM 0 HB2 ASP B 41 10.058 7.186 -4.890 1.00 0.37 H new ATOM 0 HB3 ASP B 41 10.089 8.842 -5.462 1.00 0.37 H new ATOM 1577 N LYS B 42 6.259 7.730 -4.293 1.00 0.20 N ATOM 1578 CA LYS B 42 5.435 7.158 -3.252 1.00 0.21 C ATOM 1579 C LYS B 42 4.194 6.508 -3.842 1.00 0.16 C ATOM 1580 O LYS B 42 3.860 6.719 -5.009 1.00 0.14 O ATOM 1581 CB LYS B 42 5.023 8.241 -2.257 1.00 0.27 C ATOM 1582 CG LYS B 42 3.610 8.742 -2.486 1.00 0.33 C ATOM 1583 CD LYS B 42 3.303 9.982 -1.675 1.00 0.36 C ATOM 1584 CE LYS B 42 4.240 11.123 -2.044 1.00 0.63 C ATOM 1585 NZ LYS B 42 3.737 12.436 -1.558 1.00 0.78 N ATOM 0 H LYS B 42 6.020 8.691 -4.537 1.00 0.20 H new ATOM 0 HA LYS B 42 6.017 6.394 -2.737 1.00 0.21 H new ATOM 0 HB2 LYS B 42 5.104 7.847 -1.244 1.00 0.27 H new ATOM 0 HB3 LYS B 42 5.717 9.078 -2.330 1.00 0.27 H new ATOM 0 HG2 LYS B 42 3.471 8.959 -3.545 1.00 0.33 H new ATOM 0 HG3 LYS B 42 2.901 7.956 -2.226 1.00 0.33 H new ATOM 0 HD2 LYS B 42 2.270 10.286 -1.846 1.00 0.36 H new ATOM 0 HD3 LYS B 42 3.398 9.758 -0.612 1.00 0.36 H new ATOM 0 HE2 LYS B 42 5.226 10.933 -1.621 1.00 0.63 H new ATOM 0 HE3 LYS B 42 4.359 11.159 -3.127 1.00 0.63 H new ATOM 0 HZ1 LYS B 42 3.432 13.012 -2.368 1.00 0.78 H new ATOM 0 HZ2 LYS B 42 2.931 12.284 -0.918 1.00 0.78 H new ATOM 0 HZ3 LYS B 42 4.496 12.931 -1.047 1.00 0.78 H new ATOM 1599 N ILE B 43 3.504 5.748 -3.017 1.00 0.17 N ATOM 1600 CA ILE B 43 2.290 5.073 -3.427 1.00 0.16 C ATOM 1601 C ILE B 43 1.139 5.520 -2.526 1.00 0.18 C ATOM 1602 O ILE B 43 1.317 5.673 -1.316 1.00 0.21 O ATOM 1603 CB ILE B 43 2.441 3.541 -3.332 1.00 0.16 C ATOM 1604 CG1 ILE B 43 3.644 3.050 -4.151 1.00 0.18 C ATOM 1605 CG2 ILE B 43 1.168 2.857 -3.804 1.00 0.15 C ATOM 1606 CD1 ILE B 43 3.386 2.937 -5.645 1.00 0.22 C ATOM 0 H ILE B 43 3.768 5.581 -2.046 1.00 0.17 H new ATOM 0 HA ILE B 43 2.086 5.334 -4.466 1.00 0.16 H new ATOM 0 HB ILE B 43 2.616 3.283 -2.288 1.00 0.16 H new ATOM 0 HG12 ILE B 43 4.479 3.731 -3.990 1.00 0.18 H new ATOM 0 HG13 ILE B 43 3.951 2.075 -3.773 1.00 0.18 H new ATOM 0 HG21 ILE B 43 1.288 1.776 -3.732 1.00 0.15 H new ATOM 0 HG22 ILE B 43 0.332 3.172 -3.179 1.00 0.15 H new ATOM 0 HG23 ILE B 43 0.970 3.132 -4.840 1.00 0.15 H new ATOM 0 HD11 ILE B 43 4.288 2.584 -6.144 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.574 2.232 -5.822 1.00 0.22 H new ATOM 0 HD13 ILE B 43 3.111 3.914 -6.042 1.00 0.22 H new ATOM 1618 N ILE B 44 -0.026 5.723 -3.115 1.00 0.16 N ATOM 1619 CA ILE B 44 -1.181 6.255 -2.401 1.00 0.19 C ATOM 1620 C ILE B 44 -2.323 5.251 -2.408 1.00 0.20 C ATOM 1621 O ILE B 44 -2.911 4.992 -3.451 1.00 0.26 O ATOM 1622 CB ILE B 44 -1.672 7.563 -3.059 1.00 0.21 C ATOM 1623 CG1 ILE B 44 -0.517 8.561 -3.166 1.00 0.22 C ATOM 1624 CG2 ILE B 44 -2.835 8.154 -2.282 1.00 0.30 C ATOM 1625 CD1 ILE B 44 -0.916 9.905 -3.736 1.00 0.25 C ATOM 0 H ILE B 44 -0.202 5.525 -4.100 1.00 0.16 H new ATOM 0 HA ILE B 44 -0.872 6.454 -1.375 1.00 0.19 H new ATOM 0 HB ILE B 44 -2.027 7.338 -4.064 1.00 0.21 H new ATOM 0 HG12 ILE B 44 -0.087 8.711 -2.176 1.00 0.22 H new ATOM 0 HG13 ILE B 44 0.265 8.130 -3.791 1.00 0.22 H new ATOM 0 HG21 ILE B 44 -3.164 9.075 -2.764 1.00 0.30 H new ATOM 0 HG22 ILE B 44 -3.659 7.441 -2.261 1.00 0.30 H new ATOM 0 HG23 ILE B 44 -2.518 8.372 -1.262 1.00 0.30 H new ATOM 0 HD11 ILE B 44 -0.043 10.556 -3.779 1.00 0.25 H new ATOM 0 HD12 ILE B 44 -1.318 9.770 -4.740 1.00 0.25 H new ATOM 0 HD13 ILE B 44 -1.675 10.359 -3.099 1.00 0.25 H new ATOM 1637 N LEU B 45 -2.633 4.691 -1.252 1.00 0.18 N ATOM 1638 CA LEU B 45 -3.681 3.681 -1.157 1.00 0.19 C ATOM 1639 C LEU B 45 -4.985 4.278 -0.657 1.00 0.20 C ATOM 1640 O LEU B 45 -4.999 5.024 0.323 1.00 0.25 O ATOM 1641 CB LEU B 45 -3.249 2.546 -0.236 1.00 0.20 C ATOM 1642 CG LEU B 45 -2.424 1.451 -0.903 1.00 0.19 C ATOM 1643 CD1 LEU B 45 -1.078 1.981 -1.364 1.00 0.19 C ATOM 1644 CD2 LEU B 45 -2.239 0.291 0.052 1.00 0.24 C ATOM 0 H LEU B 45 -2.178 4.915 -0.367 1.00 0.18 H new ATOM 0 HA LEU B 45 -3.847 3.287 -2.160 1.00 0.19 H new ATOM 0 HB2 LEU B 45 -2.670 2.966 0.586 1.00 0.20 H new ATOM 0 HB3 LEU B 45 -4.140 2.094 0.200 1.00 0.20 H new ATOM 0 HG LEU B 45 -2.963 1.104 -1.785 1.00 0.19 H new ATOM 0 HD11 LEU B 45 -0.513 1.177 -1.836 1.00 0.19 H new ATOM 0 HD12 LEU B 45 -1.231 2.787 -2.082 1.00 0.19 H new ATOM 0 HD13 LEU B 45 -0.523 2.360 -0.506 1.00 0.19 H new ATOM 0 HD21 LEU B 45 -1.649 -0.488 -0.431 1.00 0.24 H new ATOM 0 HD22 LEU B 45 -1.722 0.636 0.947 1.00 0.24 H new ATOM 0 HD23 LEU B 45 -3.213 -0.112 0.329 1.00 0.24 H new ATOM 1656 N LYS B 46 -6.076 3.957 -1.347 1.00 0.19 N ATOM 1657 CA LYS B 46 -7.396 4.441 -0.967 1.00 0.24 C ATOM 1658 C LYS B 46 -8.495 3.492 -1.445 1.00 0.20 C ATOM 1659 O LYS B 46 -8.380 2.876 -2.504 1.00 0.30 O ATOM 1660 CB LYS B 46 -7.612 5.848 -1.528 1.00 0.38 C ATOM 1661 CG LYS B 46 -6.818 6.123 -2.796 1.00 0.99 C ATOM 1662 CD LYS B 46 -6.943 7.568 -3.229 1.00 1.11 C ATOM 1663 CE LYS B 46 -8.317 7.852 -3.793 1.00 1.14 C ATOM 1664 NZ LYS B 46 -8.527 9.306 -4.006 1.00 1.85 N ATOM 0 H LYS B 46 -6.070 3.361 -2.175 1.00 0.19 H new ATOM 0 HA LYS B 46 -7.450 4.480 0.121 1.00 0.24 H new ATOM 0 HB2 LYS B 46 -8.673 5.989 -1.735 1.00 0.38 H new ATOM 0 HB3 LYS B 46 -7.335 6.580 -0.769 1.00 0.38 H new ATOM 0 HG2 LYS B 46 -5.768 5.882 -2.628 1.00 0.99 H new ATOM 0 HG3 LYS B 46 -7.171 5.471 -3.595 1.00 0.99 H new ATOM 0 HD2 LYS B 46 -6.753 8.223 -2.379 1.00 1.11 H new ATOM 0 HD3 LYS B 46 -6.185 7.793 -3.980 1.00 1.11 H new ATOM 0 HE2 LYS B 46 -8.440 7.323 -4.738 1.00 1.14 H new ATOM 0 HE3 LYS B 46 -9.077 7.469 -3.112 1.00 1.14 H new ATOM 0 HZ1 LYS B 46 -9.346 9.451 -4.631 1.00 1.85 H new ATOM 0 HZ2 LYS B 46 -8.704 9.769 -3.092 1.00 1.85 H new ATOM 0 HZ3 LYS B 46 -7.679 9.719 -4.445 1.00 1.85 H new ATOM 1678 N LYS B 47 -9.556 3.371 -0.650 1.00 0.22 N ATOM 1679 CA LYS B 47 -10.660 2.468 -0.967 1.00 0.22 C ATOM 1680 C LYS B 47 -11.476 3.032 -2.128 1.00 0.25 C ATOM 1681 O LYS B 47 -11.802 4.221 -2.157 1.00 0.41 O ATOM 1682 CB LYS B 47 -11.544 2.242 0.275 1.00 0.26 C ATOM 1683 CG LYS B 47 -12.315 0.915 0.280 1.00 0.28 C ATOM 1684 CD LYS B 47 -13.603 0.989 -0.518 1.00 0.44 C ATOM 1685 CE LYS B 47 -14.394 -0.309 -0.443 1.00 0.51 C ATOM 1686 NZ LYS B 47 -14.938 -0.569 0.917 1.00 0.43 N ATOM 0 H LYS B 47 -9.675 3.889 0.221 1.00 0.22 H new ATOM 0 HA LYS B 47 -10.255 1.502 -1.269 1.00 0.22 H new ATOM 0 HB2 LYS B 47 -10.915 2.285 1.164 1.00 0.26 H new ATOM 0 HB3 LYS B 47 -12.258 3.062 0.350 1.00 0.26 H new ATOM 0 HG2 LYS B 47 -11.681 0.129 -0.131 1.00 0.28 H new ATOM 0 HG3 LYS B 47 -12.544 0.635 1.308 1.00 0.28 H new ATOM 0 HD2 LYS B 47 -14.215 1.809 -0.143 1.00 0.44 H new ATOM 0 HD3 LYS B 47 -13.372 1.214 -1.559 1.00 0.44 H new ATOM 0 HE2 LYS B 47 -15.216 -0.271 -1.158 1.00 0.51 H new ATOM 0 HE3 LYS B 47 -13.752 -1.139 -0.739 1.00 0.51 H new ATOM 0 HZ1 LYS B 47 -15.409 -1.496 0.931 1.00 0.43 H new ATOM 0 HZ2 LYS B 47 -14.161 -0.565 1.608 1.00 0.43 H new ATOM 0 HZ3 LYS B 47 -15.624 0.172 1.164 1.00 0.43 H new ATOM 1700 N TYR B 48 -11.810 2.155 -3.067 1.00 0.22 N ATOM 1701 CA TYR B 48 -12.431 2.538 -4.331 1.00 0.23 C ATOM 1702 C TYR B 48 -13.799 3.186 -4.129 1.00 0.25 C ATOM 1703 O TYR B 48 -14.053 4.274 -4.629 1.00 0.29 O ATOM 1704 CB TYR B 48 -12.581 1.299 -5.216 1.00 0.27 C ATOM 1705 CG TYR B 48 -12.921 1.614 -6.657 1.00 0.34 C ATOM 1706 CD1 TYR B 48 -11.919 1.868 -7.586 1.00 1.12 C ATOM 1707 CD2 TYR B 48 -14.242 1.658 -7.090 1.00 0.96 C ATOM 1708 CE1 TYR B 48 -12.223 2.157 -8.903 1.00 1.17 C ATOM 1709 CE2 TYR B 48 -14.553 1.945 -8.406 1.00 1.03 C ATOM 1710 CZ TYR B 48 -13.541 2.194 -9.308 1.00 0.59 C ATOM 1711 OH TYR B 48 -13.849 2.482 -10.620 1.00 0.74 O ATOM 0 H TYR B 48 -11.657 1.151 -2.973 1.00 0.22 H new ATOM 0 HA TYR B 48 -11.785 3.275 -4.808 1.00 0.23 H new ATOM 0 HB2 TYR B 48 -11.652 0.730 -5.188 1.00 0.27 H new ATOM 0 HB3 TYR B 48 -13.360 0.659 -4.800 1.00 0.27 H new ATOM 0 HD1 TYR B 48 -10.886 1.839 -7.274 1.00 1.12 H new ATOM 0 HD2 TYR B 48 -15.038 1.465 -6.386 1.00 0.96 H new ATOM 0 HE1 TYR B 48 -11.432 2.353 -9.612 1.00 1.17 H new ATOM 0 HE2 TYR B 48 -15.584 1.974 -8.726 1.00 1.03 H new ATOM 0 HH TYR B 48 -14.822 2.467 -10.739 1.00 0.74 H new ATOM 1721 N LYS B 49 -14.672 2.492 -3.409 1.00 0.32 N ATOM 1722 CA LYS B 49 -16.060 2.927 -3.227 1.00 0.46 C ATOM 1723 C LYS B 49 -16.187 4.403 -2.794 1.00 0.54 C ATOM 1724 O LYS B 49 -16.824 5.186 -3.498 1.00 0.61 O ATOM 1725 CB LYS B 49 -16.779 2.007 -2.234 1.00 0.61 C ATOM 1726 CG LYS B 49 -18.292 2.199 -2.212 1.00 0.97 C ATOM 1727 CD LYS B 49 -18.974 1.256 -1.228 1.00 2.15 C ATOM 1728 CE LYS B 49 -18.594 1.557 0.214 1.00 2.61 C ATOM 1729 NZ LYS B 49 -19.125 2.871 0.672 1.00 2.92 N ATOM 0 H LYS B 49 -14.445 1.617 -2.936 1.00 0.32 H new ATOM 0 HA LYS B 49 -16.540 2.855 -4.203 1.00 0.46 H new ATOM 0 HB2 LYS B 49 -16.556 0.970 -2.485 1.00 0.61 H new ATOM 0 HB3 LYS B 49 -16.384 2.185 -1.234 1.00 0.61 H new ATOM 0 HG2 LYS B 49 -18.523 3.230 -1.945 1.00 0.97 H new ATOM 0 HG3 LYS B 49 -18.693 2.032 -3.212 1.00 0.97 H new ATOM 0 HD2 LYS B 49 -20.055 1.335 -1.341 1.00 2.15 H new ATOM 0 HD3 LYS B 49 -18.703 0.227 -1.466 1.00 2.15 H new ATOM 0 HE2 LYS B 49 -18.975 0.767 0.861 1.00 2.61 H new ATOM 0 HE3 LYS B 49 -17.508 1.552 0.311 1.00 2.61 H new ATOM 0 HZ1 LYS B 49 -18.991 2.961 1.699 1.00 2.92 H new ATOM 0 HZ2 LYS B 49 -18.617 3.639 0.188 1.00 2.92 H new ATOM 0 HZ3 LYS B 49 -20.139 2.933 0.449 1.00 2.92 H new ATOM 1743 N PRO B 50 -15.608 4.816 -1.642 1.00 0.60 N ATOM 1744 CA PRO B 50 -15.712 6.203 -1.175 1.00 0.82 C ATOM 1745 C PRO B 50 -14.895 7.164 -2.030 1.00 0.82 C ATOM 1746 O PRO B 50 -15.369 8.239 -2.405 1.00 1.57 O ATOM 1747 CB PRO B 50 -15.149 6.161 0.256 1.00 1.06 C ATOM 1748 CG PRO B 50 -15.041 4.713 0.597 1.00 0.89 C ATOM 1749 CD PRO B 50 -14.834 4.002 -0.703 1.00 0.53 C ATOM 0 HA PRO B 50 -16.739 6.564 -1.229 1.00 0.82 H new ATOM 0 HB2 PRO B 50 -14.177 6.651 0.310 1.00 1.06 H new ATOM 0 HB3 PRO B 50 -15.807 6.681 0.952 1.00 1.06 H new ATOM 0 HG2 PRO B 50 -14.209 4.533 1.278 1.00 0.89 H new ATOM 0 HG3 PRO B 50 -15.944 4.360 1.096 1.00 0.89 H new ATOM 0 HD2 PRO B 50 -13.780 3.959 -0.978 1.00 0.53 H new ATOM 0 HD3 PRO B 50 -15.195 2.974 -0.665 1.00 0.53 H new ATOM 1757 N HIS B 51 -13.669 6.773 -2.345 1.00 0.97 N ATOM 1758 CA HIS B 51 -12.764 7.643 -3.076 1.00 1.13 C ATOM 1759 C HIS B 51 -12.306 6.978 -4.367 1.00 1.69 C ATOM 1760 O HIS B 51 -11.184 6.476 -4.464 1.00 2.46 O ATOM 1761 CB HIS B 51 -11.557 8.030 -2.207 1.00 2.12 C ATOM 1762 CG HIS B 51 -11.928 8.834 -0.995 1.00 2.92 C ATOM 1763 ND1 HIS B 51 -11.299 8.705 0.227 1.00 3.83 N ATOM 1764 CD2 HIS B 51 -12.882 9.779 -0.822 1.00 3.53 C ATOM 1765 CE1 HIS B 51 -11.858 9.526 1.092 1.00 4.68 C ATOM 1766 NE2 HIS B 51 -12.817 10.190 0.483 1.00 4.55 N ATOM 0 H HIS B 51 -13.280 5.861 -2.106 1.00 0.97 H new ATOM 0 HA HIS B 51 -13.303 8.555 -3.333 1.00 1.13 H new ATOM 0 HB2 HIS B 51 -11.042 7.123 -1.889 1.00 2.12 H new ATOM 0 HB3 HIS B 51 -10.852 8.601 -2.811 1.00 2.12 H new ATOM 0 HD1 HIS B 51 -10.524 8.074 0.428 1.00 3.83 H new ATOM 0 HD2 HIS B 51 -13.567 10.142 -1.574 1.00 3.53 H new ATOM 0 HE1 HIS B 51 -11.576 9.636 2.129 1.00 4.68 H new ATOM 1775 N GLY B 52 -13.202 6.959 -5.345 1.00 2.10 N ATOM 1776 CA GLY B 52 -12.897 6.374 -6.636 1.00 3.10 C ATOM 1777 C GLY B 52 -11.918 7.211 -7.407 1.00 2.89 C ATOM 1778 O GLY B 52 -10.896 6.723 -7.895 1.00 3.12 O ATOM 0 H GLY B 52 -14.144 7.342 -5.265 1.00 2.10 H new ATOM 0 HA2 GLY B 52 -12.488 5.373 -6.495 1.00 3.10 H new ATOM 0 HA3 GLY B 52 -13.816 6.265 -7.212 1.00 3.10 H new ATOM 1782 N VAL B 53 -12.265 8.479 -7.516 1.00 2.81 N ATOM 1783 CA VAL B 53 -11.424 9.481 -8.156 1.00 2.74 C ATOM 1784 C VAL B 53 -9.981 9.395 -7.646 1.00 2.07 C ATOM 1785 O VAL B 53 -9.733 9.010 -6.499 1.00 1.96 O ATOM 1786 CB VAL B 53 -11.990 10.904 -7.918 1.00 3.42 C ATOM 1787 CG1 VAL B 53 -12.037 11.234 -6.433 1.00 3.57 C ATOM 1788 CG2 VAL B 53 -11.191 11.955 -8.679 1.00 3.62 C ATOM 0 H VAL B 53 -13.146 8.849 -7.160 1.00 2.81 H new ATOM 0 HA VAL B 53 -11.422 9.280 -9.227 1.00 2.74 H new ATOM 0 HB VAL B 53 -13.010 10.918 -8.301 1.00 3.42 H new ATOM 0 HG11 VAL B 53 -12.438 12.238 -6.296 1.00 3.57 H new ATOM 0 HG12 VAL B 53 -12.676 10.515 -5.921 1.00 3.57 H new ATOM 0 HG13 VAL B 53 -11.030 11.186 -6.017 1.00 3.57 H new ATOM 0 HG21 VAL B 53 -11.615 12.941 -8.490 1.00 3.62 H new ATOM 0 HG22 VAL B 53 -10.154 11.936 -8.345 1.00 3.62 H new ATOM 0 HG23 VAL B 53 -11.233 11.741 -9.747 1.00 3.62 H new ATOM 1798 N CYS B 54 -9.042 9.726 -8.522 1.00 1.96 N ATOM 1799 CA CYS B 54 -7.622 9.677 -8.203 1.00 1.58 C ATOM 1800 C CYS B 54 -7.287 10.566 -7.005 1.00 2.13 C ATOM 1801 O CYS B 54 -6.938 10.016 -5.941 1.00 2.76 O ATOM 1802 CB CYS B 54 -6.802 10.087 -9.426 1.00 1.96 C ATOM 1803 SG CYS B 54 -7.516 11.451 -10.372 1.00 2.82 S ATOM 1804 OXT CYS B 54 -7.412 11.802 -7.120 1.00 2.59 O ATOM 0 H CYS B 54 -9.243 10.036 -9.473 1.00 1.96 H new ATOM 0 HA CYS B 54 -7.367 8.653 -7.930 1.00 1.58 H new ATOM 0 HB2 CYS B 54 -5.801 10.370 -9.100 1.00 1.96 H new ATOM 0 HB3 CYS B 54 -6.691 9.223 -10.082 1.00 1.96 H new ATOM 0 HG CYS B 54 -6.749 11.725 -11.385 1.00 2.82 H new TER 1810 CYS B 54