USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 755 hydrogens (62 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 32 LYS NZ :NH3+ -133:sc= -0.721! (180deg=-3.47!) USER MOD Set 1.2: A 35 THR OG1 : rot -91:sc= 1.94 USER MOD Set 2.1: A 29 SER OG : rot -77:sc= 1.16! USER MOD Set 2.2: A 30 HIS : no HE2:sc= -2.42 K(o=-1.3,f=-12!) USER MOD Set 3.1: A 28 TYR OH : rot 17:sc= 0.627 USER MOD Set 3.2: A 54 LYS NZ :NH3+ -149:sc= -2.29! (180deg=-2.85!) USER MOD Single : A 1 SER N :NH3+ -153:sc= 0.397 (180deg=0.112) USER MOD Single : A 1 SER OG : rot 180:sc= 0.556 USER MOD Single : A 2 GLN : amide:sc= 0.141! K(o=0.14!,f=-0.84) USER MOD Single : A 7 LYS NZ :NH3+ -179:sc= 1.08 (180deg=1.02) USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= -0.279! (180deg=-1.87!) USER MOD Single : A 14 HIS : no HE2:sc= 0.869 K(o=0.87,f=-4.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -137:sc= 1.16 (180deg=-0.896) USER MOD Single : A 24 MET CE :methyl -157:sc= -0.0118 (180deg=-0.307) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -5.03! C(o=-5!,f=-8.6!) USER MOD Single : A 40 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.3) USER MOD Single : A 41 THR OG1 : rot 162:sc= 0.785 USER MOD Single : A 46 MET CE :methyl -122:sc= 0 (180deg=-0.0276) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -148:sc= 0.835 (180deg=0.296) USER MOD Single : A 59 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.6) USER MOD Single : A 62 LYS NZ :NH3+ -132:sc= 0.291 (180deg=-0.0978) USER MOD Single : A 64 THR OG1 : rot 88:sc= 1.01 USER MOD Single : A 65 SER OG : rot 141:sc= 0.936 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 161:sc= -0.154 (180deg=-0.753) USER MOD Single : A 71 LYS NZ :NH3+ -132:sc= -1.23! (180deg=-6.18!) USER MOD Single : A 73 TYR OH : rot 10:sc= 1.63 USER MOD Single : A 76 LYS NZ :NH3+ -111:sc= -7.86! (180deg=-11.6!) USER MOD Single : A 81 LYS NZ :NH3+ -138:sc= -0.631 (180deg=-3.86!) USER MOD Single : A 82 LYS NZ :NH3+ -108:sc= -0.438 (180deg=-0.989) USER MOD Single : A 83 LYS NZ :NH3+ -102:sc= 0.123 (180deg=-1.6) USER MOD Single : A 84 TYR OH : rot 165:sc= -0.923 USER MOD Single : A 87 COA O2B : rot -94:sc= 0.399 USER MOD Single : A 87 COA OAP : rot 87:sc= -3.31 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.265 8.354 -1.013 1.00 8.19 N ATOM 2 CA SER A 1 -1.140 7.409 -1.781 1.00 6.04 C ATOM 3 C SER A 1 -0.528 5.995 -1.783 1.00 4.65 C ATOM 4 O SER A 1 -0.917 5.198 -0.958 1.00 4.03 O ATOM 5 CB SER A 1 -1.276 7.920 -3.222 1.00 3.99 C ATOM 6 OG SER A 1 0.088 8.237 -3.520 1.00 4.66 O ATOM 0 H1 SER A 1 -0.844 9.127 -0.627 1.00 8.19 H new ATOM 0 H2 SER A 1 0.196 7.844 -0.233 1.00 8.19 H new ATOM 0 H3 SER A 1 0.460 8.748 -1.646 1.00 8.19 H new ATOM 0 HA SER A 1 -2.122 7.359 -1.310 1.00 6.04 H new ATOM 0 HB2 SER A 1 -1.681 7.163 -3.893 1.00 3.99 H new ATOM 0 HB3 SER A 1 -1.928 8.790 -3.293 1.00 3.99 H new ATOM 0 HG SER A 1 0.151 8.582 -4.435 1.00 4.66 H new ATOM 14 N GLN A 2 0.391 5.749 -2.687 1.00 4.48 N ATOM 15 CA GLN A 2 1.066 4.415 -2.799 1.00 3.29 C ATOM 16 C GLN A 2 2.604 4.539 -2.876 1.00 2.51 C ATOM 17 O GLN A 2 3.242 3.727 -3.502 1.00 2.38 O ATOM 18 CB GLN A 2 0.529 3.688 -4.079 1.00 3.78 C ATOM 19 CG GLN A 2 1.132 2.224 -4.164 1.00 3.03 C ATOM 20 CD GLN A 2 1.979 1.947 -5.422 1.00 3.84 C ATOM 21 OE1 GLN A 2 1.486 1.622 -6.474 1.00 4.38 O ATOM 22 NE2 GLN A 2 3.264 2.051 -5.394 1.00 4.04 N ATOM 0 H GLN A 2 0.710 6.436 -3.370 1.00 4.48 H new ATOM 0 HA GLN A 2 0.836 3.841 -1.901 1.00 3.29 H new ATOM 0 HB2 GLN A 2 -0.560 3.641 -4.051 1.00 3.78 H new ATOM 0 HB3 GLN A 2 0.800 4.254 -4.970 1.00 3.78 H new ATOM 0 HG2 GLN A 2 1.748 2.048 -3.282 1.00 3.03 H new ATOM 0 HG3 GLN A 2 0.313 1.506 -4.129 1.00 3.03 H new ATOM 0 HE21 GLN A 2 3.735 2.323 -4.531 1.00 4.04 H new ATOM 0 HE22 GLN A 2 3.809 1.862 -6.235 1.00 4.04 H new ATOM 31 N ALA A 3 3.237 5.502 -2.275 1.00 2.33 N ATOM 32 CA ALA A 3 4.728 5.544 -2.399 1.00 1.90 C ATOM 33 C ALA A 3 5.419 4.377 -1.623 1.00 1.55 C ATOM 34 O ALA A 3 6.397 4.592 -0.945 1.00 1.37 O ATOM 35 CB ALA A 3 5.161 6.926 -1.876 1.00 3.33 C ATOM 0 H ALA A 3 2.810 6.243 -1.719 1.00 2.33 H new ATOM 0 HA ALA A 3 5.036 5.406 -3.436 1.00 1.90 H new ATOM 0 HB1 ALA A 3 6.245 7.017 -1.942 1.00 3.33 H new ATOM 0 HB2 ALA A 3 4.695 7.706 -2.478 1.00 3.33 H new ATOM 0 HB3 ALA A 3 4.850 7.036 -0.837 1.00 3.33 H new ATOM 41 N GLU A 4 4.954 3.155 -1.721 1.00 1.62 N ATOM 42 CA GLU A 4 5.567 2.020 -0.989 1.00 1.43 C ATOM 43 C GLU A 4 6.811 1.382 -1.587 1.00 0.85 C ATOM 44 O GLU A 4 7.668 0.847 -0.913 1.00 0.44 O ATOM 45 CB GLU A 4 4.399 1.057 -0.804 1.00 1.71 C ATOM 46 CG GLU A 4 3.391 1.721 0.210 1.00 2.50 C ATOM 47 CD GLU A 4 4.062 2.021 1.559 1.00 4.46 C ATOM 48 OE1 GLU A 4 4.675 1.134 2.121 1.00 4.37 O ATOM 49 OE2 GLU A 4 3.969 3.136 2.040 1.00 6.57 O ATOM 0 H GLU A 4 4.152 2.898 -2.296 1.00 1.62 H new ATOM 0 HA GLU A 4 6.008 2.369 -0.055 1.00 1.43 H new ATOM 0 HB2 GLU A 4 3.909 0.861 -1.758 1.00 1.71 H new ATOM 0 HB3 GLU A 4 4.750 0.098 -0.423 1.00 1.71 H new ATOM 0 HG2 GLU A 4 3.001 2.645 -0.216 1.00 2.50 H new ATOM 0 HG3 GLU A 4 2.540 1.057 0.366 1.00 2.50 H new ATOM 56 N PHE A 5 6.852 1.483 -2.862 1.00 0.90 N ATOM 57 CA PHE A 5 7.970 0.954 -3.695 1.00 0.48 C ATOM 58 C PHE A 5 9.040 2.065 -3.696 1.00 0.65 C ATOM 59 O PHE A 5 10.239 1.874 -3.710 1.00 0.82 O ATOM 60 CB PHE A 5 7.336 0.733 -5.014 1.00 0.47 C ATOM 61 CG PHE A 5 8.341 1.000 -6.137 1.00 0.50 C ATOM 62 CD1 PHE A 5 9.275 0.065 -6.520 1.00 0.46 C ATOM 63 CD2 PHE A 5 8.304 2.214 -6.774 1.00 0.64 C ATOM 64 CE1 PHE A 5 10.169 0.335 -7.534 1.00 0.62 C ATOM 65 CE2 PHE A 5 9.187 2.493 -7.785 1.00 0.73 C ATOM 66 CZ PHE A 5 10.117 1.557 -8.165 1.00 0.74 C ATOM 0 H PHE A 5 6.118 1.936 -3.407 1.00 0.90 H new ATOM 0 HA PHE A 5 8.451 0.034 -3.364 1.00 0.48 H new ATOM 0 HB2 PHE A 5 6.968 -0.291 -5.081 1.00 0.47 H new ATOM 0 HB3 PHE A 5 6.473 1.390 -5.125 1.00 0.47 H new ATOM 0 HD1 PHE A 5 9.308 -0.892 -6.020 1.00 0.46 H new ATOM 0 HD2 PHE A 5 7.575 2.954 -6.478 1.00 0.64 H new ATOM 0 HE1 PHE A 5 10.901 -0.403 -7.829 1.00 0.62 H new ATOM 0 HE2 PHE A 5 9.151 3.450 -8.283 1.00 0.73 H new ATOM 0 HZ PHE A 5 10.810 1.781 -8.962 1.00 0.74 H new ATOM 76 N ASP A 6 8.464 3.223 -3.661 1.00 0.68 N ATOM 77 CA ASP A 6 9.126 4.539 -3.654 1.00 0.75 C ATOM 78 C ASP A 6 9.917 4.573 -2.324 1.00 0.64 C ATOM 79 O ASP A 6 11.095 4.825 -2.196 1.00 0.66 O ATOM 80 CB ASP A 6 7.933 5.492 -3.773 1.00 0.80 C ATOM 81 CG ASP A 6 6.963 5.101 -4.916 1.00 0.74 C ATOM 82 OD1 ASP A 6 6.246 4.125 -4.706 1.00 0.79 O ATOM 83 OD2 ASP A 6 7.018 5.799 -5.911 1.00 0.72 O ATOM 0 H ASP A 6 7.448 3.308 -3.634 1.00 0.68 H new ATOM 0 HA ASP A 6 9.846 4.789 -4.433 1.00 0.75 H new ATOM 0 HB2 ASP A 6 7.388 5.504 -2.829 1.00 0.80 H new ATOM 0 HB3 ASP A 6 8.299 6.505 -3.943 1.00 0.80 H new ATOM 88 N LYS A 7 9.141 4.272 -1.334 1.00 0.52 N ATOM 89 CA LYS A 7 9.598 4.195 0.095 1.00 0.24 C ATOM 90 C LYS A 7 10.709 3.125 0.121 1.00 0.24 C ATOM 91 O LYS A 7 11.720 3.294 0.777 1.00 0.35 O ATOM 92 CB LYS A 7 8.364 3.822 0.876 1.00 0.51 C ATOM 93 CG LYS A 7 8.549 3.483 2.358 1.00 1.05 C ATOM 94 CD LYS A 7 7.085 3.153 2.772 1.00 2.13 C ATOM 95 CE LYS A 7 6.884 2.763 4.229 1.00 3.06 C ATOM 96 NZ LYS A 7 5.439 2.382 4.360 1.00 4.63 N ATOM 0 H LYS A 7 8.150 4.062 -1.453 1.00 0.52 H new ATOM 0 HA LYS A 7 10.011 5.109 0.522 1.00 0.24 H new ATOM 0 HB2 LYS A 7 7.656 4.648 0.804 1.00 0.51 H new ATOM 0 HB3 LYS A 7 7.902 2.964 0.388 1.00 0.51 H new ATOM 0 HG2 LYS A 7 9.220 2.637 2.507 1.00 1.05 H new ATOM 0 HG3 LYS A 7 8.959 4.319 2.924 1.00 1.05 H new ATOM 0 HD2 LYS A 7 6.462 4.021 2.558 1.00 2.13 H new ATOM 0 HD3 LYS A 7 6.724 2.339 2.144 1.00 2.13 H new ATOM 0 HE2 LYS A 7 7.533 1.931 4.503 1.00 3.06 H new ATOM 0 HE3 LYS A 7 7.131 3.592 4.892 1.00 3.06 H new ATOM 0 HZ1 LYS A 7 5.237 2.120 5.346 1.00 4.63 H new ATOM 0 HZ2 LYS A 7 4.841 3.188 4.086 1.00 4.63 H new ATOM 0 HZ3 LYS A 7 5.235 1.573 3.739 1.00 4.63 H new ATOM 110 N ALA A 8 10.504 2.039 -0.600 1.00 0.32 N ATOM 111 CA ALA A 8 11.564 0.978 -0.617 1.00 0.29 C ATOM 112 C ALA A 8 12.793 1.696 -1.248 1.00 0.29 C ATOM 113 O ALA A 8 13.901 1.536 -0.772 1.00 0.23 O ATOM 114 CB ALA A 8 11.064 -0.227 -1.467 1.00 0.33 C ATOM 0 H ALA A 8 9.674 1.848 -1.160 1.00 0.32 H new ATOM 0 HA ALA A 8 11.812 0.567 0.362 1.00 0.29 H new ATOM 0 HB1 ALA A 8 11.830 -1.003 -1.484 1.00 0.33 H new ATOM 0 HB2 ALA A 8 10.151 -0.628 -1.028 1.00 0.33 H new ATOM 0 HB3 ALA A 8 10.861 0.105 -2.485 1.00 0.33 H new ATOM 120 N ALA A 9 12.625 2.465 -2.303 1.00 0.39 N ATOM 121 CA ALA A 9 13.824 3.165 -2.877 1.00 0.41 C ATOM 122 C ALA A 9 14.588 3.905 -1.747 1.00 0.41 C ATOM 123 O ALA A 9 15.786 3.711 -1.658 1.00 0.48 O ATOM 124 CB ALA A 9 13.374 4.175 -3.971 1.00 0.48 C ATOM 0 H ALA A 9 11.739 2.635 -2.779 1.00 0.39 H new ATOM 0 HA ALA A 9 14.488 2.429 -3.331 1.00 0.41 H new ATOM 0 HB1 ALA A 9 14.248 4.679 -4.383 1.00 0.48 H new ATOM 0 HB2 ALA A 9 12.854 3.642 -4.767 1.00 0.48 H new ATOM 0 HB3 ALA A 9 12.704 4.913 -3.531 1.00 0.48 H new ATOM 130 N GLU A 10 13.921 4.699 -0.931 1.00 0.41 N ATOM 131 CA GLU A 10 14.622 5.434 0.190 1.00 0.47 C ATOM 132 C GLU A 10 15.428 4.371 0.913 1.00 0.51 C ATOM 133 O GLU A 10 16.637 4.465 1.042 1.00 0.58 O ATOM 134 CB GLU A 10 13.574 6.081 1.166 1.00 0.45 C ATOM 135 CG GLU A 10 12.793 7.245 0.487 1.00 0.49 C ATOM 136 CD GLU A 10 11.625 7.774 1.359 1.00 0.46 C ATOM 137 OE1 GLU A 10 10.775 6.993 1.769 1.00 2.26 O ATOM 138 OE2 GLU A 10 11.652 8.974 1.561 1.00 1.96 O ATOM 0 H GLU A 10 12.918 4.872 -0.991 1.00 0.41 H new ATOM 0 HA GLU A 10 15.249 6.244 -0.183 1.00 0.47 H new ATOM 0 HB2 GLU A 10 12.871 5.319 1.502 1.00 0.45 H new ATOM 0 HB3 GLU A 10 14.086 6.455 2.053 1.00 0.45 H new ATOM 0 HG2 GLU A 10 13.481 8.063 0.275 1.00 0.49 H new ATOM 0 HG3 GLU A 10 12.400 6.903 -0.470 1.00 0.49 H new ATOM 145 N GLU A 11 14.729 3.368 1.348 1.00 0.51 N ATOM 146 CA GLU A 11 15.418 2.259 2.080 1.00 0.60 C ATOM 147 C GLU A 11 16.657 1.694 1.367 1.00 0.56 C ATOM 148 O GLU A 11 17.706 1.557 1.967 1.00 0.74 O ATOM 149 CB GLU A 11 14.393 1.172 2.295 1.00 0.74 C ATOM 150 CG GLU A 11 13.393 1.664 3.365 1.00 0.96 C ATOM 151 CD GLU A 11 13.357 0.696 4.529 1.00 1.53 C ATOM 152 OE1 GLU A 11 14.368 0.523 5.177 1.00 3.24 O ATOM 153 OE2 GLU A 11 12.298 0.126 4.730 1.00 1.67 O ATOM 0 H GLU A 11 13.721 3.261 1.234 1.00 0.51 H new ATOM 0 HA GLU A 11 15.803 2.660 3.017 1.00 0.60 H new ATOM 0 HB2 GLU A 11 13.874 0.948 1.363 1.00 0.74 H new ATOM 0 HB3 GLU A 11 14.877 0.251 2.620 1.00 0.74 H new ATOM 0 HG2 GLU A 11 13.682 2.655 3.715 1.00 0.96 H new ATOM 0 HG3 GLU A 11 12.398 1.757 2.929 1.00 0.96 H new ATOM 160 N VAL A 12 16.544 1.386 0.098 1.00 0.43 N ATOM 161 CA VAL A 12 17.704 0.819 -0.670 1.00 0.42 C ATOM 162 C VAL A 12 18.803 1.888 -0.829 1.00 0.39 C ATOM 163 O VAL A 12 19.962 1.586 -0.640 1.00 0.39 O ATOM 164 CB VAL A 12 17.114 0.296 -2.029 1.00 0.42 C ATOM 165 CG1 VAL A 12 17.431 1.198 -3.223 1.00 0.54 C ATOM 166 CG2 VAL A 12 17.642 -1.100 -2.372 1.00 0.39 C ATOM 0 H VAL A 12 15.690 1.503 -0.447 1.00 0.43 H new ATOM 0 HA VAL A 12 18.192 -0.010 -0.157 1.00 0.42 H new ATOM 0 HB VAL A 12 16.036 0.283 -1.867 1.00 0.42 H new ATOM 0 HG11 VAL A 12 16.992 0.774 -4.126 1.00 0.54 H new ATOM 0 HG12 VAL A 12 17.016 2.191 -3.049 1.00 0.54 H new ATOM 0 HG13 VAL A 12 18.511 1.273 -3.346 1.00 0.54 H new ATOM 0 HG21 VAL A 12 17.212 -1.429 -3.318 1.00 0.39 H new ATOM 0 HG22 VAL A 12 18.728 -1.067 -2.458 1.00 0.39 H new ATOM 0 HG23 VAL A 12 17.362 -1.799 -1.584 1.00 0.39 H new ATOM 176 N LYS A 13 18.449 3.109 -1.168 1.00 0.35 N ATOM 177 CA LYS A 13 19.475 4.193 -1.321 1.00 0.32 C ATOM 178 C LYS A 13 20.338 4.247 -0.034 1.00 0.41 C ATOM 179 O LYS A 13 21.453 4.728 -0.059 1.00 0.65 O ATOM 180 CB LYS A 13 18.749 5.554 -1.583 1.00 0.28 C ATOM 181 CG LYS A 13 19.019 6.061 -3.046 1.00 1.22 C ATOM 182 CD LYS A 13 18.343 7.464 -3.307 1.00 1.02 C ATOM 183 CE LYS A 13 19.154 8.674 -2.755 1.00 1.43 C ATOM 184 NZ LYS A 13 20.306 8.920 -3.669 1.00 2.08 N ATOM 0 H LYS A 13 17.488 3.401 -1.346 1.00 0.35 H new ATOM 0 HA LYS A 13 20.130 3.991 -2.168 1.00 0.32 H new ATOM 0 HB2 LYS A 13 17.677 5.435 -1.427 1.00 0.28 H new ATOM 0 HB3 LYS A 13 19.094 6.299 -0.866 1.00 0.28 H new ATOM 0 HG2 LYS A 13 20.093 6.137 -3.213 1.00 1.22 H new ATOM 0 HG3 LYS A 13 18.636 5.333 -3.761 1.00 1.22 H new ATOM 0 HD2 LYS A 13 18.203 7.594 -4.380 1.00 1.02 H new ATOM 0 HD3 LYS A 13 17.352 7.468 -2.853 1.00 1.02 H new ATOM 0 HE2 LYS A 13 18.521 9.560 -2.694 1.00 1.43 H new ATOM 0 HE3 LYS A 13 19.508 8.465 -1.745 1.00 1.43 H new ATOM 0 HZ1 LYS A 13 20.645 9.895 -3.546 1.00 2.08 H new ATOM 0 HZ2 LYS A 13 21.074 8.256 -3.446 1.00 2.08 H new ATOM 0 HZ3 LYS A 13 20.003 8.781 -4.654 1.00 2.08 H new ATOM 198 N HIS A 14 19.769 3.752 1.038 1.00 0.24 N ATOM 199 CA HIS A 14 20.446 3.698 2.383 1.00 0.36 C ATOM 200 C HIS A 14 21.190 2.358 2.681 1.00 0.43 C ATOM 201 O HIS A 14 21.705 2.189 3.772 1.00 0.56 O ATOM 202 CB HIS A 14 19.394 3.905 3.501 1.00 0.45 C ATOM 203 CG HIS A 14 18.853 5.319 3.536 1.00 0.50 C ATOM 204 ND1 HIS A 14 17.723 5.689 3.048 1.00 0.56 N ATOM 205 CD2 HIS A 14 19.399 6.472 4.061 1.00 0.53 C ATOM 206 CE1 HIS A 14 17.562 6.963 3.247 1.00 0.62 C ATOM 207 NE2 HIS A 14 18.583 7.490 3.875 1.00 0.60 N ATOM 0 H HIS A 14 18.825 3.367 1.040 1.00 0.24 H new ATOM 0 HA HIS A 14 21.195 4.489 2.360 1.00 0.36 H new ATOM 0 HB2 HIS A 14 18.569 3.208 3.353 1.00 0.45 H new ATOM 0 HB3 HIS A 14 19.843 3.667 4.466 1.00 0.45 H new ATOM 0 HD1 HIS A 14 17.056 5.077 2.577 1.00 0.56 H new ATOM 0 HD2 HIS A 14 20.358 6.532 4.554 1.00 0.53 H new ATOM 0 HE1 HIS A 14 16.692 7.520 2.933 1.00 0.62 H new ATOM 215 N LEU A 15 21.250 1.446 1.747 1.00 0.37 N ATOM 216 CA LEU A 15 21.947 0.131 1.964 1.00 0.47 C ATOM 217 C LEU A 15 23.483 0.081 2.019 1.00 0.82 C ATOM 218 O LEU A 15 24.119 -0.708 1.352 1.00 1.71 O ATOM 219 CB LEU A 15 21.445 -0.846 0.869 1.00 0.46 C ATOM 220 CG LEU A 15 20.061 -1.373 1.226 1.00 0.35 C ATOM 221 CD1 LEU A 15 19.566 -2.189 0.047 1.00 0.41 C ATOM 222 CD2 LEU A 15 20.162 -2.344 2.396 1.00 0.39 C ATOM 0 H LEU A 15 20.838 1.554 0.820 1.00 0.37 H new ATOM 0 HA LEU A 15 21.681 -0.135 2.987 1.00 0.47 H new ATOM 0 HB2 LEU A 15 21.411 -0.337 -0.094 1.00 0.46 H new ATOM 0 HB3 LEU A 15 22.143 -1.677 0.766 1.00 0.46 H new ATOM 0 HG LEU A 15 19.407 -0.537 1.472 1.00 0.35 H new ATOM 0 HD11 LEU A 15 18.574 -2.583 0.268 1.00 0.41 H new ATOM 0 HD12 LEU A 15 19.515 -1.555 -0.838 1.00 0.41 H new ATOM 0 HD13 LEU A 15 20.252 -3.016 -0.137 1.00 0.41 H new ATOM 0 HD21 LEU A 15 19.169 -2.717 2.646 1.00 0.39 H new ATOM 0 HD22 LEU A 15 20.805 -3.180 2.121 1.00 0.39 H new ATOM 0 HD23 LEU A 15 20.585 -1.830 3.260 1.00 0.39 H new ATOM 234 N LYS A 16 24.017 0.964 2.816 1.00 0.57 N ATOM 235 CA LYS A 16 25.488 1.159 3.109 1.00 0.55 C ATOM 236 C LYS A 16 26.517 0.080 2.753 1.00 0.42 C ATOM 237 O LYS A 16 27.673 0.383 2.524 1.00 0.68 O ATOM 238 CB LYS A 16 25.568 1.474 4.623 1.00 0.54 C ATOM 239 CG LYS A 16 24.867 2.820 4.867 1.00 0.79 C ATOM 240 CD LYS A 16 24.448 2.906 6.345 1.00 0.94 C ATOM 241 CE LYS A 16 23.414 4.011 6.450 1.00 2.62 C ATOM 242 NZ LYS A 16 22.928 4.081 7.868 1.00 2.63 N ATOM 0 H LYS A 16 23.438 1.628 3.330 1.00 0.57 H new ATOM 0 HA LYS A 16 25.800 1.944 2.420 1.00 0.55 H new ATOM 0 HB2 LYS A 16 25.089 0.685 5.202 1.00 0.54 H new ATOM 0 HB3 LYS A 16 26.607 1.522 4.948 1.00 0.54 H new ATOM 0 HG2 LYS A 16 25.536 3.644 4.617 1.00 0.79 H new ATOM 0 HG3 LYS A 16 23.993 2.912 4.222 1.00 0.79 H new ATOM 0 HD2 LYS A 16 24.033 1.957 6.684 1.00 0.94 H new ATOM 0 HD3 LYS A 16 25.309 3.122 6.978 1.00 0.94 H new ATOM 0 HE2 LYS A 16 23.849 4.965 6.152 1.00 2.62 H new ATOM 0 HE3 LYS A 16 22.581 3.815 5.774 1.00 2.62 H new ATOM 0 HZ1 LYS A 16 22.218 4.836 7.955 1.00 2.63 H new ATOM 0 HZ2 LYS A 16 22.501 3.171 8.134 1.00 2.63 H new ATOM 0 HZ3 LYS A 16 23.729 4.285 8.500 1.00 2.63 H new ATOM 256 N THR A 17 26.063 -1.124 2.696 1.00 0.62 N ATOM 257 CA THR A 17 26.919 -2.310 2.374 1.00 0.99 C ATOM 258 C THR A 17 26.750 -2.777 0.885 1.00 1.07 C ATOM 259 O THR A 17 26.134 -3.775 0.583 1.00 1.03 O ATOM 260 CB THR A 17 26.547 -3.462 3.333 1.00 1.08 C ATOM 261 OG1 THR A 17 26.610 -2.962 4.671 1.00 1.41 O ATOM 262 CG2 THR A 17 27.677 -4.496 3.370 1.00 1.42 C ATOM 0 H THR A 17 25.085 -1.359 2.866 1.00 0.62 H new ATOM 0 HA THR A 17 27.963 -2.025 2.502 1.00 0.99 H new ATOM 0 HB THR A 17 25.583 -3.859 3.013 1.00 1.08 H new ATOM 0 HG1 THR A 17 26.375 -3.677 5.299 1.00 1.41 H new ATOM 0 HG21 THR A 17 27.407 -5.305 4.048 1.00 1.42 H new ATOM 0 HG22 THR A 17 27.835 -4.899 2.369 1.00 1.42 H new ATOM 0 HG23 THR A 17 28.594 -4.021 3.719 1.00 1.42 H new ATOM 270 N LYS A 18 27.356 -1.959 0.060 1.00 1.20 N ATOM 271 CA LYS A 18 27.454 -2.040 -1.443 1.00 1.16 C ATOM 272 C LYS A 18 27.063 -3.483 -1.951 1.00 1.00 C ATOM 273 O LYS A 18 27.921 -4.316 -2.186 1.00 1.32 O ATOM 274 CB LYS A 18 28.911 -1.680 -1.767 1.00 1.72 C ATOM 275 CG LYS A 18 29.314 -0.345 -1.110 1.00 1.48 C ATOM 276 CD LYS A 18 30.786 0.016 -1.483 1.00 2.30 C ATOM 277 CE LYS A 18 31.603 0.383 -0.229 1.00 3.37 C ATOM 278 NZ LYS A 18 30.894 1.482 0.512 1.00 3.65 N ATOM 0 H LYS A 18 27.846 -1.138 0.416 1.00 1.20 H new ATOM 0 HA LYS A 18 26.764 -1.362 -1.946 1.00 1.16 H new ATOM 0 HB2 LYS A 18 29.571 -2.474 -1.418 1.00 1.72 H new ATOM 0 HB3 LYS A 18 29.040 -1.610 -2.847 1.00 1.72 H new ATOM 0 HG2 LYS A 18 28.643 0.448 -1.439 1.00 1.48 H new ATOM 0 HG3 LYS A 18 29.213 -0.419 -0.027 1.00 1.48 H new ATOM 0 HD2 LYS A 18 31.253 -0.828 -1.991 1.00 2.30 H new ATOM 0 HD3 LYS A 18 30.792 0.852 -2.182 1.00 2.30 H new ATOM 0 HE2 LYS A 18 31.720 -0.490 0.413 1.00 3.37 H new ATOM 0 HE3 LYS A 18 32.605 0.706 -0.513 1.00 3.37 H new ATOM 0 HZ1 LYS A 18 31.586 2.192 0.825 1.00 3.65 H new ATOM 0 HZ2 LYS A 18 30.197 1.931 -0.116 1.00 3.65 H new ATOM 0 HZ3 LYS A 18 30.407 1.084 1.341 1.00 3.65 H new ATOM 292 N PRO A 19 25.778 -3.738 -2.098 1.00 0.58 N ATOM 293 CA PRO A 19 25.264 -5.063 -2.559 1.00 0.50 C ATOM 294 C PRO A 19 25.912 -5.705 -3.794 1.00 0.59 C ATOM 295 O PRO A 19 26.687 -5.100 -4.503 1.00 0.84 O ATOM 296 CB PRO A 19 23.761 -4.813 -2.729 1.00 0.18 C ATOM 297 CG PRO A 19 23.481 -3.716 -1.660 1.00 0.27 C ATOM 298 CD PRO A 19 24.672 -2.777 -1.834 1.00 0.30 C ATOM 0 HA PRO A 19 25.523 -5.827 -1.826 1.00 0.50 H new ATOM 0 HB2 PRO A 19 23.517 -4.471 -3.735 1.00 0.18 H new ATOM 0 HB3 PRO A 19 23.176 -5.715 -2.548 1.00 0.18 H new ATOM 0 HG2 PRO A 19 22.533 -3.208 -1.838 1.00 0.27 H new ATOM 0 HG3 PRO A 19 23.435 -4.132 -0.653 1.00 0.27 H new ATOM 0 HD2 PRO A 19 24.528 -2.082 -2.661 1.00 0.30 H new ATOM 0 HD3 PRO A 19 24.855 -2.178 -0.942 1.00 0.30 H new ATOM 306 N ALA A 20 25.569 -6.940 -4.068 1.00 0.57 N ATOM 307 CA ALA A 20 26.190 -7.596 -5.260 1.00 0.41 C ATOM 308 C ALA A 20 25.560 -7.069 -6.573 1.00 0.44 C ATOM 309 O ALA A 20 24.359 -7.129 -6.772 1.00 0.73 O ATOM 310 CB ALA A 20 25.984 -9.119 -5.103 1.00 0.32 C ATOM 0 H ALA A 20 24.908 -7.507 -3.537 1.00 0.57 H new ATOM 0 HA ALA A 20 27.254 -7.366 -5.317 1.00 0.41 H new ATOM 0 HB1 ALA A 20 26.425 -9.636 -5.956 1.00 0.32 H new ATOM 0 HB2 ALA A 20 26.464 -9.458 -4.185 1.00 0.32 H new ATOM 0 HB3 ALA A 20 24.917 -9.339 -5.057 1.00 0.32 H new ATOM 316 N ASP A 21 26.414 -6.554 -7.418 1.00 0.39 N ATOM 317 CA ASP A 21 26.011 -5.993 -8.742 1.00 0.27 C ATOM 318 C ASP A 21 24.779 -6.692 -9.338 1.00 0.12 C ATOM 319 O ASP A 21 23.888 -5.997 -9.760 1.00 0.32 O ATOM 320 CB ASP A 21 27.255 -6.102 -9.618 1.00 0.48 C ATOM 321 CG ASP A 21 28.338 -5.170 -9.081 1.00 0.71 C ATOM 322 OD1 ASP A 21 28.874 -5.550 -8.054 1.00 2.63 O ATOM 323 OD2 ASP A 21 28.565 -4.152 -9.710 1.00 2.00 O ATOM 0 H ASP A 21 27.416 -6.498 -7.236 1.00 0.39 H new ATOM 0 HA ASP A 21 25.685 -4.957 -8.655 1.00 0.27 H new ATOM 0 HB2 ASP A 21 27.617 -7.130 -9.628 1.00 0.48 H new ATOM 0 HB3 ASP A 21 27.012 -5.840 -10.648 1.00 0.48 H new ATOM 328 N GLU A 22 24.715 -7.996 -9.386 1.00 0.17 N ATOM 329 CA GLU A 22 23.503 -8.677 -9.949 1.00 0.45 C ATOM 330 C GLU A 22 22.265 -8.255 -9.097 1.00 0.26 C ATOM 331 O GLU A 22 21.292 -7.712 -9.599 1.00 0.83 O ATOM 332 CB GLU A 22 23.693 -10.238 -9.883 1.00 0.83 C ATOM 333 CG GLU A 22 24.855 -10.766 -10.801 1.00 1.06 C ATOM 334 CD GLU A 22 25.065 -12.309 -10.712 1.00 1.56 C ATOM 335 OE1 GLU A 22 24.421 -12.934 -9.886 1.00 2.00 O ATOM 336 OE2 GLU A 22 25.880 -12.785 -11.490 1.00 3.28 O ATOM 0 H GLU A 22 25.450 -8.624 -9.060 1.00 0.17 H new ATOM 0 HA GLU A 22 23.356 -8.388 -10.990 1.00 0.45 H new ATOM 0 HB2 GLU A 22 23.894 -10.529 -8.852 1.00 0.83 H new ATOM 0 HB3 GLU A 22 22.761 -10.722 -10.175 1.00 0.83 H new ATOM 0 HG2 GLU A 22 24.642 -10.495 -11.835 1.00 1.06 H new ATOM 0 HG3 GLU A 22 25.782 -10.264 -10.525 1.00 1.06 H new ATOM 343 N GLU A 23 22.322 -8.493 -7.806 1.00 0.79 N ATOM 344 CA GLU A 23 21.164 -8.108 -6.939 1.00 0.99 C ATOM 345 C GLU A 23 20.924 -6.578 -7.028 1.00 0.96 C ATOM 346 O GLU A 23 19.811 -6.123 -6.807 1.00 1.19 O ATOM 347 CB GLU A 23 21.469 -8.606 -5.480 1.00 1.45 C ATOM 348 CG GLU A 23 21.383 -10.202 -5.474 1.00 1.66 C ATOM 349 CD GLU A 23 20.956 -10.749 -4.093 1.00 2.17 C ATOM 350 OE1 GLU A 23 21.051 -10.016 -3.120 1.00 0.92 O ATOM 351 OE2 GLU A 23 20.513 -11.882 -3.979 1.00 4.07 O ATOM 0 H GLU A 23 23.107 -8.930 -7.323 1.00 0.79 H new ATOM 0 HA GLU A 23 20.238 -8.577 -7.271 1.00 0.99 H new ATOM 0 HB2 GLU A 23 22.459 -8.277 -5.164 1.00 1.45 H new ATOM 0 HB3 GLU A 23 20.753 -8.183 -4.776 1.00 1.45 H new ATOM 0 HG2 GLU A 23 20.671 -10.530 -6.231 1.00 1.66 H new ATOM 0 HG3 GLU A 23 22.353 -10.619 -5.746 1.00 1.66 H new ATOM 358 N MET A 24 21.961 -5.831 -7.354 1.00 0.90 N ATOM 359 CA MET A 24 21.852 -4.332 -7.490 1.00 0.98 C ATOM 360 C MET A 24 21.036 -4.181 -8.792 1.00 0.87 C ATOM 361 O MET A 24 19.993 -3.573 -8.813 1.00 1.11 O ATOM 362 CB MET A 24 23.270 -3.710 -7.652 1.00 0.80 C ATOM 363 CG MET A 24 24.069 -3.723 -6.351 1.00 0.70 C ATOM 364 SD MET A 24 25.721 -2.996 -6.480 1.00 2.32 S ATOM 365 CE MET A 24 25.405 -1.338 -5.828 1.00 0.53 C ATOM 0 H MET A 24 22.894 -6.202 -7.535 1.00 0.90 H new ATOM 0 HA MET A 24 21.397 -3.836 -6.633 1.00 0.98 H new ATOM 0 HB2 MET A 24 23.819 -4.260 -8.417 1.00 0.80 H new ATOM 0 HB3 MET A 24 23.174 -2.683 -8.005 1.00 0.80 H new ATOM 0 HG2 MET A 24 23.507 -3.184 -5.588 1.00 0.70 H new ATOM 0 HG3 MET A 24 24.165 -4.753 -6.008 1.00 0.70 H new ATOM 0 HE1 MET A 24 26.165 -0.650 -6.199 1.00 0.53 H new ATOM 0 HE2 MET A 24 24.421 -1.001 -6.153 1.00 0.53 H new ATOM 0 HE3 MET A 24 25.439 -1.363 -4.739 1.00 0.53 H new ATOM 375 N LEU A 25 21.559 -4.730 -9.852 1.00 0.52 N ATOM 376 CA LEU A 25 20.977 -4.755 -11.216 1.00 0.48 C ATOM 377 C LEU A 25 19.481 -5.018 -11.131 1.00 0.50 C ATOM 378 O LEU A 25 18.689 -4.353 -11.770 1.00 0.65 O ATOM 379 CB LEU A 25 21.710 -5.852 -11.975 1.00 0.42 C ATOM 380 CG LEU A 25 22.968 -5.406 -12.732 1.00 0.77 C ATOM 381 CD1 LEU A 25 23.299 -6.575 -13.654 1.00 1.02 C ATOM 382 CD2 LEU A 25 22.686 -4.195 -13.640 1.00 1.09 C ATOM 0 H LEU A 25 22.459 -5.209 -9.812 1.00 0.52 H new ATOM 0 HA LEU A 25 21.096 -3.803 -11.734 1.00 0.48 H new ATOM 0 HB2 LEU A 25 21.990 -6.633 -11.268 1.00 0.42 H new ATOM 0 HB3 LEU A 25 21.018 -6.301 -12.688 1.00 0.42 H new ATOM 0 HG LEU A 25 23.756 -5.135 -12.029 1.00 0.77 H new ATOM 0 HD11 LEU A 25 24.190 -6.339 -14.235 1.00 1.02 H new ATOM 0 HD12 LEU A 25 23.481 -7.469 -13.057 1.00 1.02 H new ATOM 0 HD13 LEU A 25 22.462 -6.754 -14.329 1.00 1.02 H new ATOM 0 HD21 LEU A 25 23.601 -3.909 -14.159 1.00 1.09 H new ATOM 0 HD22 LEU A 25 21.921 -4.458 -14.371 1.00 1.09 H new ATOM 0 HD23 LEU A 25 22.336 -3.359 -13.034 1.00 1.09 H new ATOM 394 N PHE A 26 19.145 -5.992 -10.324 1.00 0.50 N ATOM 395 CA PHE A 26 17.702 -6.343 -10.147 1.00 0.59 C ATOM 396 C PHE A 26 17.028 -5.053 -9.651 1.00 0.56 C ATOM 397 O PHE A 26 16.172 -4.484 -10.304 1.00 0.52 O ATOM 398 CB PHE A 26 17.578 -7.478 -9.102 1.00 0.57 C ATOM 399 CG PHE A 26 16.090 -7.824 -9.016 1.00 0.56 C ATOM 400 CD1 PHE A 26 15.226 -7.037 -8.277 1.00 2.20 C ATOM 401 CD2 PHE A 26 15.598 -8.913 -9.705 1.00 2.68 C ATOM 402 CE1 PHE A 26 13.890 -7.335 -8.232 1.00 2.16 C ATOM 403 CE2 PHE A 26 14.255 -9.213 -9.662 1.00 2.70 C ATOM 404 CZ PHE A 26 13.413 -8.417 -8.925 1.00 0.56 C ATOM 0 H PHE A 26 19.801 -6.556 -9.784 1.00 0.50 H new ATOM 0 HA PHE A 26 17.236 -6.699 -11.066 1.00 0.59 H new ATOM 0 HB2 PHE A 26 18.162 -8.348 -9.402 1.00 0.57 H new ATOM 0 HB3 PHE A 26 17.959 -7.157 -8.133 1.00 0.57 H new ATOM 0 HD1 PHE A 26 15.606 -6.185 -7.734 1.00 2.20 H new ATOM 0 HD2 PHE A 26 16.269 -9.533 -10.281 1.00 2.68 H new ATOM 0 HE1 PHE A 26 13.216 -6.721 -7.654 1.00 2.16 H new ATOM 0 HE2 PHE A 26 13.868 -10.065 -10.202 1.00 2.70 H new ATOM 0 HZ PHE A 26 12.358 -8.647 -8.891 1.00 0.56 H new ATOM 414 N ILE A 27 17.448 -4.621 -8.493 1.00 0.58 N ATOM 415 CA ILE A 27 16.865 -3.367 -7.920 1.00 0.53 C ATOM 416 C ILE A 27 16.834 -2.224 -8.957 1.00 0.54 C ATOM 417 O ILE A 27 15.802 -1.631 -9.170 1.00 0.83 O ATOM 418 CB ILE A 27 17.711 -3.047 -6.659 1.00 0.56 C ATOM 419 CG1 ILE A 27 17.131 -3.824 -5.444 1.00 0.57 C ATOM 420 CG2 ILE A 27 17.830 -1.555 -6.338 1.00 0.53 C ATOM 421 CD1 ILE A 27 15.644 -3.479 -5.155 1.00 0.58 C ATOM 0 H ILE A 27 18.161 -5.074 -7.922 1.00 0.58 H new ATOM 0 HA ILE A 27 15.818 -3.492 -7.643 1.00 0.53 H new ATOM 0 HB ILE A 27 18.729 -3.372 -6.875 1.00 0.56 H new ATOM 0 HG12 ILE A 27 17.220 -4.895 -5.628 1.00 0.57 H new ATOM 0 HG13 ILE A 27 17.728 -3.602 -4.559 1.00 0.57 H new ATOM 0 HG21 ILE A 27 18.437 -1.423 -5.443 1.00 0.53 H new ATOM 0 HG22 ILE A 27 18.301 -1.039 -7.175 1.00 0.53 H new ATOM 0 HG23 ILE A 27 16.837 -1.139 -6.168 1.00 0.53 H new ATOM 0 HD11 ILE A 27 15.298 -4.053 -4.296 1.00 0.58 H new ATOM 0 HD12 ILE A 27 15.553 -2.414 -4.940 1.00 0.58 H new ATOM 0 HD13 ILE A 27 15.037 -3.727 -6.026 1.00 0.58 H new ATOM 433 N TYR A 28 17.934 -1.920 -9.584 1.00 0.26 N ATOM 434 CA TYR A 28 17.969 -0.819 -10.618 1.00 0.28 C ATOM 435 C TYR A 28 16.974 -1.088 -11.769 1.00 0.21 C ATOM 436 O TYR A 28 16.158 -0.240 -12.070 1.00 0.26 O ATOM 437 CB TYR A 28 19.377 -0.701 -11.219 1.00 0.25 C ATOM 438 CG TYR A 28 19.531 0.654 -11.954 1.00 0.64 C ATOM 439 CD1 TYR A 28 19.832 1.792 -11.229 1.00 1.01 C ATOM 440 CD2 TYR A 28 19.395 0.777 -13.326 1.00 0.76 C ATOM 441 CE1 TYR A 28 19.998 3.014 -11.855 1.00 1.36 C ATOM 442 CE2 TYR A 28 19.562 2.011 -13.938 1.00 1.11 C ATOM 443 CZ TYR A 28 19.865 3.134 -13.209 1.00 1.39 C ATOM 444 OH TYR A 28 20.039 4.342 -13.855 1.00 1.75 O ATOM 0 H TYR A 28 18.828 -2.387 -9.431 1.00 0.26 H new ATOM 0 HA TYR A 28 17.689 0.105 -10.112 1.00 0.28 H new ATOM 0 HB2 TYR A 28 20.125 -0.783 -10.431 1.00 0.25 H new ATOM 0 HB3 TYR A 28 19.554 -1.522 -11.913 1.00 0.25 H new ATOM 0 HD1 TYR A 28 19.939 1.726 -10.156 1.00 1.01 H new ATOM 0 HD2 TYR A 28 19.158 -0.091 -13.923 1.00 0.76 H new ATOM 0 HE1 TYR A 28 20.236 3.886 -11.264 1.00 1.36 H new ATOM 0 HE2 TYR A 28 19.451 2.090 -15.009 1.00 1.11 H new ATOM 0 HH TYR A 28 20.513 4.964 -13.264 1.00 1.75 H new ATOM 454 N SER A 29 17.060 -2.233 -12.388 1.00 0.23 N ATOM 455 CA SER A 29 16.125 -2.583 -13.527 1.00 0.22 C ATOM 456 C SER A 29 14.680 -2.400 -13.099 1.00 0.27 C ATOM 457 O SER A 29 13.908 -1.684 -13.701 1.00 0.29 O ATOM 458 CB SER A 29 16.305 -4.041 -13.946 1.00 0.24 C ATOM 459 OG SER A 29 16.102 -4.741 -12.722 1.00 0.45 O ATOM 0 H SER A 29 17.741 -2.957 -12.160 1.00 0.23 H new ATOM 0 HA SER A 29 16.363 -1.922 -14.360 1.00 0.22 H new ATOM 0 HB2 SER A 29 15.583 -4.337 -14.707 1.00 0.24 H new ATOM 0 HB3 SER A 29 17.297 -4.225 -14.359 1.00 0.24 H new ATOM 0 HG SER A 29 16.904 -4.663 -12.164 1.00 0.45 H new ATOM 465 N HIS A 30 14.350 -3.067 -12.036 1.00 0.36 N ATOM 466 CA HIS A 30 12.977 -2.987 -11.496 1.00 0.50 C ATOM 467 C HIS A 30 12.722 -1.515 -11.187 1.00 0.58 C ATOM 468 O HIS A 30 11.775 -0.969 -11.703 1.00 0.87 O ATOM 469 CB HIS A 30 12.974 -3.930 -10.298 1.00 0.52 C ATOM 470 CG HIS A 30 12.942 -5.337 -10.901 1.00 0.42 C ATOM 471 ND1 HIS A 30 13.864 -5.878 -11.632 1.00 2.45 N ATOM 472 CD2 HIS A 30 11.957 -6.301 -10.821 1.00 1.79 C ATOM 473 CE1 HIS A 30 13.491 -7.071 -11.979 1.00 1.96 C ATOM 474 NE2 HIS A 30 12.313 -7.373 -11.496 1.00 0.72 N ATOM 0 H HIS A 30 14.983 -3.672 -11.513 1.00 0.36 H new ATOM 0 HA HIS A 30 12.169 -3.298 -12.158 1.00 0.50 H new ATOM 0 HB2 HIS A 30 13.860 -3.786 -9.680 1.00 0.52 H new ATOM 0 HB3 HIS A 30 12.108 -3.754 -9.660 1.00 0.52 H new ATOM 0 HD1 HIS A 30 14.745 -5.436 -11.894 1.00 2.45 H new ATOM 0 HD2 HIS A 30 11.028 -6.191 -10.282 1.00 1.79 H new ATOM 0 HE1 HIS A 30 14.082 -7.735 -12.593 1.00 1.96 H new ATOM 482 N TYR A 31 13.529 -0.882 -10.374 1.00 0.44 N ATOM 483 CA TYR A 31 13.341 0.558 -10.048 1.00 0.45 C ATOM 484 C TYR A 31 12.968 1.337 -11.332 1.00 0.49 C ATOM 485 O TYR A 31 11.972 2.025 -11.412 1.00 0.46 O ATOM 486 CB TYR A 31 14.659 1.074 -9.424 1.00 0.58 C ATOM 487 CG TYR A 31 14.456 2.527 -9.008 1.00 0.67 C ATOM 488 CD1 TYR A 31 13.480 2.866 -8.086 1.00 1.92 C ATOM 489 CD2 TYR A 31 15.224 3.514 -9.575 1.00 2.94 C ATOM 490 CE1 TYR A 31 13.269 4.183 -7.742 1.00 1.84 C ATOM 491 CE2 TYR A 31 15.006 4.829 -9.225 1.00 3.02 C ATOM 492 CZ TYR A 31 14.035 5.167 -8.318 1.00 0.85 C ATOM 493 OH TYR A 31 13.837 6.497 -8.030 1.00 1.02 O ATOM 0 H TYR A 31 14.328 -1.317 -9.913 1.00 0.44 H new ATOM 0 HA TYR A 31 12.528 0.702 -9.336 1.00 0.45 H new ATOM 0 HB2 TYR A 31 14.934 0.467 -8.561 1.00 0.58 H new ATOM 0 HB3 TYR A 31 15.475 0.995 -10.142 1.00 0.58 H new ATOM 0 HD1 TYR A 31 12.879 2.091 -7.633 1.00 1.92 H new ATOM 0 HD2 TYR A 31 15.993 3.262 -10.290 1.00 2.94 H new ATOM 0 HE1 TYR A 31 12.505 4.441 -7.023 1.00 1.84 H new ATOM 0 HE2 TYR A 31 15.609 5.605 -9.672 1.00 3.02 H new ATOM 0 HH TYR A 31 14.478 7.040 -8.535 1.00 1.02 H new ATOM 503 N LYS A 32 13.793 1.213 -12.330 1.00 0.59 N ATOM 504 CA LYS A 32 13.545 1.912 -13.624 1.00 0.67 C ATOM 505 C LYS A 32 12.230 1.514 -14.320 1.00 0.78 C ATOM 506 O LYS A 32 11.500 2.356 -14.809 1.00 1.08 O ATOM 507 CB LYS A 32 14.759 1.615 -14.450 1.00 0.57 C ATOM 508 CG LYS A 32 16.014 2.302 -13.856 1.00 1.14 C ATOM 509 CD LYS A 32 16.187 3.805 -14.296 1.00 1.34 C ATOM 510 CE LYS A 32 14.977 4.767 -14.103 1.00 3.33 C ATOM 511 NZ LYS A 32 14.467 4.761 -12.687 1.00 4.14 N ATOM 0 H LYS A 32 14.642 0.649 -12.306 1.00 0.59 H new ATOM 0 HA LYS A 32 13.403 2.981 -13.467 1.00 0.67 H new ATOM 0 HB2 LYS A 32 14.917 0.538 -14.497 1.00 0.57 H new ATOM 0 HB3 LYS A 32 14.601 1.959 -15.472 1.00 0.57 H new ATOM 0 HG2 LYS A 32 15.961 2.256 -12.768 1.00 1.14 H new ATOM 0 HG3 LYS A 32 16.899 1.742 -14.156 1.00 1.14 H new ATOM 0 HD2 LYS A 32 17.033 4.218 -13.747 1.00 1.34 H new ATOM 0 HD3 LYS A 32 16.456 3.815 -15.352 1.00 1.34 H new ATOM 0 HE2 LYS A 32 15.273 5.780 -14.377 1.00 3.33 H new ATOM 0 HE3 LYS A 32 14.172 4.476 -14.779 1.00 3.33 H new ATOM 0 HZ1 LYS A 32 13.431 4.673 -12.692 1.00 4.14 H new ATOM 0 HZ2 LYS A 32 14.880 3.957 -12.173 1.00 4.14 H new ATOM 0 HZ3 LYS A 32 14.737 5.649 -12.217 1.00 4.14 H new ATOM 525 N GLN A 33 11.972 0.244 -14.354 1.00 0.59 N ATOM 526 CA GLN A 33 10.729 -0.266 -14.986 1.00 0.70 C ATOM 527 C GLN A 33 9.508 0.277 -14.167 1.00 0.75 C ATOM 528 O GLN A 33 8.511 0.709 -14.711 1.00 1.00 O ATOM 529 CB GLN A 33 10.939 -1.802 -14.978 1.00 0.76 C ATOM 530 CG GLN A 33 9.683 -2.522 -14.576 1.00 1.27 C ATOM 531 CD GLN A 33 8.550 -2.169 -15.537 1.00 0.73 C ATOM 532 OE1 GLN A 33 8.750 -2.008 -16.721 1.00 1.88 O ATOM 533 NE2 GLN A 33 7.339 -2.047 -15.084 1.00 2.45 N ATOM 0 H GLN A 33 12.579 -0.477 -13.964 1.00 0.59 H new ATOM 0 HA GLN A 33 10.522 0.056 -16.007 1.00 0.70 H new ATOM 0 HB2 GLN A 33 11.250 -2.134 -15.969 1.00 0.76 H new ATOM 0 HB3 GLN A 33 11.744 -2.058 -14.289 1.00 0.76 H new ATOM 0 HG2 GLN A 33 9.853 -3.599 -14.581 1.00 1.27 H new ATOM 0 HG3 GLN A 33 9.406 -2.248 -13.558 1.00 1.27 H new ATOM 0 HE21 GLN A 33 7.151 -2.179 -14.090 1.00 2.45 H new ATOM 0 HE22 GLN A 33 6.576 -1.819 -15.722 1.00 2.45 H new ATOM 542 N ALA A 34 9.624 0.237 -12.868 1.00 0.64 N ATOM 543 CA ALA A 34 8.568 0.715 -11.925 1.00 0.64 C ATOM 544 C ALA A 34 8.438 2.269 -11.834 1.00 0.54 C ATOM 545 O ALA A 34 7.404 2.756 -11.415 1.00 0.55 O ATOM 546 CB ALA A 34 8.918 0.079 -10.584 1.00 0.68 C ATOM 0 H ALA A 34 10.452 -0.127 -12.397 1.00 0.64 H new ATOM 0 HA ALA A 34 7.581 0.417 -12.280 1.00 0.64 H new ATOM 0 HB1 ALA A 34 8.186 0.383 -9.835 1.00 0.68 H new ATOM 0 HB2 ALA A 34 8.907 -1.007 -10.682 1.00 0.68 H new ATOM 0 HB3 ALA A 34 9.911 0.406 -10.274 1.00 0.68 H new ATOM 552 N THR A 35 9.462 2.991 -12.223 1.00 0.50 N ATOM 553 CA THR A 35 9.424 4.514 -12.177 1.00 0.52 C ATOM 554 C THR A 35 9.407 5.170 -13.566 1.00 0.63 C ATOM 555 O THR A 35 8.529 5.961 -13.839 1.00 0.68 O ATOM 556 CB THR A 35 10.649 5.139 -11.480 1.00 0.53 C ATOM 557 OG1 THR A 35 11.764 4.569 -12.141 1.00 0.52 O ATOM 558 CG2 THR A 35 10.836 4.663 -10.066 1.00 0.41 C ATOM 0 H THR A 35 10.336 2.600 -12.575 1.00 0.50 H new ATOM 0 HA THR A 35 8.502 4.704 -11.627 1.00 0.52 H new ATOM 0 HB THR A 35 10.536 6.223 -11.501 1.00 0.53 H new ATOM 0 HG1 THR A 35 12.040 3.753 -11.673 1.00 0.52 H new ATOM 0 HG21 THR A 35 11.715 5.141 -9.634 1.00 0.41 H new ATOM 0 HG22 THR A 35 9.956 4.920 -9.476 1.00 0.41 H new ATOM 0 HG23 THR A 35 10.972 3.582 -10.061 1.00 0.41 H new ATOM 566 N VAL A 36 10.358 4.844 -14.403 1.00 0.68 N ATOM 567 CA VAL A 36 10.424 5.445 -15.791 1.00 0.76 C ATOM 568 C VAL A 36 9.632 4.695 -16.867 1.00 1.06 C ATOM 569 O VAL A 36 8.942 5.310 -17.656 1.00 1.34 O ATOM 570 CB VAL A 36 11.930 5.537 -16.222 1.00 0.79 C ATOM 571 CG1 VAL A 36 12.054 6.154 -17.648 1.00 1.02 C ATOM 572 CG2 VAL A 36 12.633 6.494 -15.261 1.00 0.62 C ATOM 0 H VAL A 36 11.104 4.181 -14.192 1.00 0.68 H new ATOM 0 HA VAL A 36 9.952 6.425 -15.720 1.00 0.76 H new ATOM 0 HB VAL A 36 12.365 4.538 -16.210 1.00 0.79 H new ATOM 0 HG11 VAL A 36 13.105 6.210 -17.930 1.00 1.02 H new ATOM 0 HG12 VAL A 36 11.519 5.528 -18.363 1.00 1.02 H new ATOM 0 HG13 VAL A 36 11.624 7.156 -17.650 1.00 1.02 H new ATOM 0 HG21 VAL A 36 13.684 6.579 -15.536 1.00 0.62 H new ATOM 0 HG22 VAL A 36 12.163 7.476 -15.317 1.00 0.62 H new ATOM 0 HG23 VAL A 36 12.554 6.111 -14.243 1.00 0.62 H new ATOM 582 N GLY A 37 9.764 3.398 -16.893 1.00 1.10 N ATOM 583 CA GLY A 37 9.019 2.579 -17.916 1.00 1.48 C ATOM 584 C GLY A 37 9.836 2.359 -19.191 1.00 1.73 C ATOM 585 O GLY A 37 11.051 2.283 -19.161 1.00 2.42 O ATOM 0 H GLY A 37 10.352 2.862 -16.255 1.00 1.10 H new ATOM 0 HA2 GLY A 37 8.757 1.613 -17.484 1.00 1.48 H new ATOM 0 HA3 GLY A 37 8.084 3.080 -18.168 1.00 1.48 H new ATOM 589 N ASP A 38 9.148 2.257 -20.292 1.00 1.27 N ATOM 590 CA ASP A 38 9.800 2.047 -21.609 1.00 1.40 C ATOM 591 C ASP A 38 11.100 2.812 -21.991 1.00 2.01 C ATOM 592 O ASP A 38 11.073 3.810 -22.693 1.00 3.84 O ATOM 593 CB ASP A 38 8.656 2.256 -22.651 1.00 1.17 C ATOM 594 CG ASP A 38 7.904 0.927 -22.684 1.00 0.86 C ATOM 595 OD1 ASP A 38 7.244 0.660 -21.697 1.00 1.90 O ATOM 596 OD2 ASP A 38 8.075 0.263 -23.700 1.00 2.70 O ATOM 0 H ASP A 38 8.130 2.312 -20.332 1.00 1.27 H new ATOM 0 HA ASP A 38 10.238 1.049 -21.576 1.00 1.40 H new ATOM 0 HB2 ASP A 38 7.999 3.074 -22.357 1.00 1.17 H new ATOM 0 HB3 ASP A 38 9.057 2.507 -23.633 1.00 1.17 H new ATOM 601 N ILE A 39 12.178 2.294 -21.458 1.00 0.50 N ATOM 602 CA ILE A 39 13.565 2.826 -21.680 1.00 0.80 C ATOM 603 C ILE A 39 13.672 3.519 -23.080 1.00 1.31 C ATOM 604 O ILE A 39 13.718 2.871 -24.106 1.00 1.63 O ATOM 605 CB ILE A 39 14.552 1.582 -21.504 1.00 0.32 C ATOM 606 CG1 ILE A 39 16.006 2.067 -21.356 1.00 0.50 C ATOM 607 CG2 ILE A 39 14.524 0.648 -22.721 1.00 0.26 C ATOM 608 CD1 ILE A 39 16.891 0.885 -20.860 1.00 0.30 C ATOM 0 H ILE A 39 12.153 1.480 -20.844 1.00 0.50 H new ATOM 0 HA ILE A 39 13.832 3.603 -20.964 1.00 0.80 H new ATOM 0 HB ILE A 39 14.213 1.049 -20.616 1.00 0.32 H new ATOM 0 HG12 ILE A 39 16.377 2.439 -22.311 1.00 0.50 H new ATOM 0 HG13 ILE A 39 16.056 2.896 -20.650 1.00 0.50 H new ATOM 0 HG21 ILE A 39 15.210 -0.183 -22.557 1.00 0.26 H new ATOM 0 HG22 ILE A 39 13.514 0.263 -22.861 1.00 0.26 H new ATOM 0 HG23 ILE A 39 14.828 1.200 -23.610 1.00 0.26 H new ATOM 0 HD11 ILE A 39 17.922 1.222 -20.753 1.00 0.30 H new ATOM 0 HD12 ILE A 39 16.522 0.534 -19.896 1.00 0.30 H new ATOM 0 HD13 ILE A 39 16.849 0.070 -21.583 1.00 0.30 H new ATOM 620 N ASN A 40 13.698 4.822 -23.162 1.00 2.06 N ATOM 621 CA ASN A 40 13.809 5.468 -24.528 1.00 2.90 C ATOM 622 C ASN A 40 15.206 6.100 -24.674 1.00 3.18 C ATOM 623 O ASN A 40 15.446 7.055 -25.387 1.00 4.12 O ATOM 624 CB ASN A 40 12.653 6.507 -24.642 1.00 3.62 C ATOM 625 CG ASN A 40 12.427 7.212 -23.324 1.00 3.84 C ATOM 626 OD1 ASN A 40 12.880 8.302 -23.064 1.00 4.61 O ATOM 627 ND2 ASN A 40 11.719 6.607 -22.431 1.00 3.75 N ATOM 0 H ASN A 40 13.649 5.464 -22.371 1.00 2.06 H new ATOM 0 HA ASN A 40 13.707 4.748 -25.340 1.00 2.90 H new ATOM 0 HB2 ASN A 40 12.892 7.239 -25.414 1.00 3.62 H new ATOM 0 HB3 ASN A 40 11.737 6.004 -24.952 1.00 3.62 H new ATOM 0 HD21 ASN A 40 11.551 7.049 -21.527 1.00 3.75 H new ATOM 0 HD22 ASN A 40 11.327 5.686 -22.629 1.00 3.75 H new ATOM 634 N THR A 41 16.068 5.466 -23.925 1.00 2.32 N ATOM 635 CA THR A 41 17.527 5.800 -23.823 1.00 2.35 C ATOM 636 C THR A 41 18.350 4.785 -24.638 1.00 2.20 C ATOM 637 O THR A 41 17.858 3.721 -24.966 1.00 1.94 O ATOM 638 CB THR A 41 17.959 5.723 -22.331 1.00 2.30 C ATOM 639 OG1 THR A 41 17.890 4.336 -22.009 1.00 2.28 O ATOM 640 CG2 THR A 41 16.886 6.286 -21.372 1.00 2.49 C ATOM 0 H THR A 41 15.801 4.675 -23.339 1.00 2.32 H new ATOM 0 HA THR A 41 17.700 6.803 -24.213 1.00 2.35 H new ATOM 0 HB THR A 41 18.910 6.244 -22.226 1.00 2.30 H new ATOM 0 HG1 THR A 41 18.411 4.162 -21.197 1.00 2.28 H new ATOM 0 HG21 THR A 41 17.240 6.208 -20.344 1.00 2.49 H new ATOM 0 HG22 THR A 41 16.697 7.332 -21.612 1.00 2.49 H new ATOM 0 HG23 THR A 41 15.964 5.716 -21.483 1.00 2.49 H new ATOM 648 N GLU A 42 19.580 5.110 -24.948 1.00 2.52 N ATOM 649 CA GLU A 42 20.405 4.142 -25.735 1.00 2.49 C ATOM 650 C GLU A 42 21.600 3.623 -24.907 1.00 2.00 C ATOM 651 O GLU A 42 22.053 4.228 -23.955 1.00 2.22 O ATOM 652 CB GLU A 42 20.876 4.862 -27.022 1.00 3.57 C ATOM 653 CG GLU A 42 22.064 5.834 -26.744 1.00 4.14 C ATOM 654 CD GLU A 42 22.559 6.582 -27.997 1.00 5.19 C ATOM 655 OE1 GLU A 42 21.984 6.397 -29.058 1.00 6.96 O ATOM 656 OE2 GLU A 42 23.514 7.313 -27.794 1.00 4.24 O ATOM 0 H GLU A 42 20.042 5.984 -24.697 1.00 2.52 H new ATOM 0 HA GLU A 42 19.811 3.266 -25.996 1.00 2.49 H new ATOM 0 HB2 GLU A 42 21.179 4.121 -27.762 1.00 3.57 H new ATOM 0 HB3 GLU A 42 20.044 5.420 -27.451 1.00 3.57 H new ATOM 0 HG2 GLU A 42 21.757 6.563 -25.994 1.00 4.14 H new ATOM 0 HG3 GLU A 42 22.893 5.268 -26.318 1.00 4.14 H new ATOM 663 N ARG A 43 22.049 2.476 -25.317 1.00 1.78 N ATOM 664 CA ARG A 43 23.200 1.745 -24.697 1.00 1.30 C ATOM 665 C ARG A 43 24.369 2.650 -24.153 1.00 1.23 C ATOM 666 O ARG A 43 25.051 3.249 -24.957 1.00 1.52 O ATOM 667 CB ARG A 43 23.639 0.768 -25.795 1.00 1.28 C ATOM 668 CG ARG A 43 24.157 -0.537 -25.165 1.00 0.92 C ATOM 669 CD ARG A 43 24.041 -1.605 -26.252 1.00 0.91 C ATOM 670 NE ARG A 43 24.618 -2.851 -25.668 1.00 0.67 N ATOM 671 CZ ARG A 43 23.926 -3.918 -25.579 1.00 0.38 C ATOM 672 NH1 ARG A 43 23.207 -4.043 -24.564 1.00 2.04 N ATOM 673 NH2 ARG A 43 23.995 -4.789 -26.494 1.00 2.39 N ATOM 0 H ARG A 43 21.641 1.979 -26.109 1.00 1.78 H new ATOM 0 HA ARG A 43 22.895 1.246 -23.777 1.00 1.30 H new ATOM 0 HB2 ARG A 43 22.801 0.553 -26.458 1.00 1.28 H new ATOM 0 HB3 ARG A 43 24.420 1.222 -26.405 1.00 1.28 H new ATOM 0 HG2 ARG A 43 25.190 -0.427 -24.834 1.00 0.92 H new ATOM 0 HG3 ARG A 43 23.569 -0.807 -24.288 1.00 0.92 H new ATOM 0 HD2 ARG A 43 23.001 -1.755 -26.542 1.00 0.91 H new ATOM 0 HD3 ARG A 43 24.583 -1.308 -27.150 1.00 0.91 H new ATOM 0 HE ARG A 43 25.582 -2.849 -25.335 1.00 0.67 H new ATOM 0 HH11 ARG A 43 23.194 -3.310 -23.855 1.00 2.04 H new ATOM 0 HH12 ARG A 43 22.634 -4.878 -24.445 1.00 2.04 H new ATOM 0 HH21 ARG A 43 24.603 -4.636 -27.299 1.00 2.39 H new ATOM 0 HH22 ARG A 43 23.443 -5.644 -26.427 1.00 2.39 H new ATOM 687 N PRO A 44 24.564 2.707 -22.841 1.00 1.36 N ATOM 688 CA PRO A 44 25.624 3.511 -22.130 1.00 1.78 C ATOM 689 C PRO A 44 26.809 4.153 -22.893 1.00 2.77 C ATOM 690 O PRO A 44 26.671 5.246 -23.395 1.00 4.83 O ATOM 691 CB PRO A 44 25.985 2.501 -20.995 1.00 1.49 C ATOM 692 CG PRO A 44 24.550 2.099 -20.551 1.00 2.07 C ATOM 693 CD PRO A 44 23.753 1.941 -21.852 1.00 1.71 C ATOM 0 HA PRO A 44 25.249 4.489 -21.827 1.00 1.78 H new ATOM 0 HB2 PRO A 44 26.566 1.653 -21.357 1.00 1.49 H new ATOM 0 HB3 PRO A 44 26.560 2.961 -20.191 1.00 1.49 H new ATOM 0 HG2 PRO A 44 24.560 1.170 -19.981 1.00 2.07 H new ATOM 0 HG3 PRO A 44 24.109 2.862 -19.910 1.00 2.07 H new ATOM 0 HD2 PRO A 44 23.652 0.894 -22.138 1.00 1.71 H new ATOM 0 HD3 PRO A 44 22.745 2.345 -21.759 1.00 1.71 H new ATOM 701 N GLY A 45 27.942 3.520 -22.958 1.00 1.90 N ATOM 702 CA GLY A 45 29.131 4.106 -23.706 1.00 2.85 C ATOM 703 C GLY A 45 30.412 4.225 -22.867 1.00 3.12 C ATOM 704 O GLY A 45 31.122 3.245 -22.797 1.00 3.10 O ATOM 0 H GLY A 45 28.117 2.612 -22.527 1.00 1.90 H new ATOM 0 HA2 GLY A 45 29.338 3.485 -24.578 1.00 2.85 H new ATOM 0 HA3 GLY A 45 28.860 5.095 -24.076 1.00 2.85 H new ATOM 708 N MET A 46 30.693 5.363 -22.273 1.00 3.41 N ATOM 709 CA MET A 46 31.942 5.542 -21.424 1.00 3.74 C ATOM 710 C MET A 46 32.308 4.259 -20.620 1.00 3.52 C ATOM 711 O MET A 46 33.330 3.630 -20.798 1.00 3.66 O ATOM 712 CB MET A 46 31.706 6.730 -20.441 1.00 3.96 C ATOM 713 CG MET A 46 31.457 8.059 -21.184 1.00 4.35 C ATOM 714 SD MET A 46 29.984 8.199 -22.225 1.00 4.03 S ATOM 715 CE MET A 46 28.755 8.287 -20.898 1.00 3.99 C ATOM 0 H MET A 46 30.106 6.195 -22.335 1.00 3.41 H new ATOM 0 HA MET A 46 32.779 5.746 -22.091 1.00 3.74 H new ATOM 0 HB2 MET A 46 30.851 6.507 -19.802 1.00 3.96 H new ATOM 0 HB3 MET A 46 32.572 6.837 -19.788 1.00 3.96 H new ATOM 0 HG2 MET A 46 31.414 8.853 -20.439 1.00 4.35 H new ATOM 0 HG3 MET A 46 32.327 8.257 -21.811 1.00 4.35 H new ATOM 0 HE1 MET A 46 28.036 7.475 -21.013 1.00 3.99 H new ATOM 0 HE2 MET A 46 29.254 8.196 -19.933 1.00 3.99 H new ATOM 0 HE3 MET A 46 28.234 9.243 -20.948 1.00 3.99 H new ATOM 725 N LEU A 47 31.415 3.935 -19.726 1.00 3.22 N ATOM 726 CA LEU A 47 31.609 2.717 -18.870 1.00 3.05 C ATOM 727 C LEU A 47 30.832 1.512 -19.438 1.00 2.99 C ATOM 728 O LEU A 47 29.813 1.631 -20.101 1.00 4.86 O ATOM 729 CB LEU A 47 31.130 3.024 -17.412 1.00 2.71 C ATOM 730 CG LEU A 47 32.129 3.884 -16.545 1.00 2.93 C ATOM 731 CD1 LEU A 47 33.427 3.101 -16.192 1.00 3.16 C ATOM 732 CD2 LEU A 47 32.530 5.154 -17.280 1.00 3.31 C ATOM 0 H LEU A 47 30.557 4.457 -19.547 1.00 3.22 H new ATOM 0 HA LEU A 47 32.669 2.462 -18.862 1.00 3.05 H new ATOM 0 HB2 LEU A 47 30.175 3.547 -17.463 1.00 2.71 H new ATOM 0 HB3 LEU A 47 30.949 2.079 -16.899 1.00 2.71 H new ATOM 0 HG LEU A 47 31.599 4.128 -15.624 1.00 2.93 H new ATOM 0 HD11 LEU A 47 34.083 3.734 -15.595 1.00 3.16 H new ATOM 0 HD12 LEU A 47 33.170 2.207 -15.624 1.00 3.16 H new ATOM 0 HD13 LEU A 47 33.939 2.812 -17.110 1.00 3.16 H new ATOM 0 HD21 LEU A 47 33.219 5.730 -16.662 1.00 3.31 H new ATOM 0 HD22 LEU A 47 33.017 4.892 -18.219 1.00 3.31 H new ATOM 0 HD23 LEU A 47 31.642 5.751 -17.486 1.00 3.31 H new ATOM 744 N ASP A 48 31.379 0.366 -19.129 1.00 1.46 N ATOM 745 CA ASP A 48 30.781 -0.911 -19.593 1.00 1.43 C ATOM 746 C ASP A 48 30.055 -1.822 -18.564 1.00 1.37 C ATOM 747 O ASP A 48 28.914 -1.551 -18.248 1.00 1.86 O ATOM 748 CB ASP A 48 31.958 -1.636 -20.310 1.00 1.92 C ATOM 749 CG ASP A 48 31.591 -3.070 -20.653 1.00 1.96 C ATOM 750 OD1 ASP A 48 30.649 -3.233 -21.406 1.00 1.84 O ATOM 751 OD2 ASP A 48 32.277 -3.909 -20.110 1.00 4.03 O ATOM 0 H ASP A 48 32.225 0.264 -18.568 1.00 1.46 H new ATOM 0 HA ASP A 48 29.927 -0.675 -20.228 1.00 1.43 H new ATOM 0 HB2 ASP A 48 32.220 -1.097 -21.220 1.00 1.92 H new ATOM 0 HB3 ASP A 48 32.839 -1.627 -19.669 1.00 1.92 H new ATOM 756 N PHE A 49 30.717 -2.851 -18.088 1.00 0.96 N ATOM 757 CA PHE A 49 30.153 -3.828 -17.094 1.00 0.98 C ATOM 758 C PHE A 49 28.900 -3.392 -16.321 1.00 0.58 C ATOM 759 O PHE A 49 27.862 -4.001 -16.441 1.00 1.20 O ATOM 760 CB PHE A 49 31.331 -4.226 -16.124 1.00 1.19 C ATOM 761 CG PHE A 49 31.599 -3.104 -15.121 1.00 1.32 C ATOM 762 CD1 PHE A 49 32.222 -1.933 -15.502 1.00 3.29 C ATOM 763 CD2 PHE A 49 31.169 -3.256 -13.819 1.00 1.85 C ATOM 764 CE1 PHE A 49 32.405 -0.921 -14.584 1.00 3.43 C ATOM 765 CE2 PHE A 49 31.351 -2.246 -12.900 1.00 2.29 C ATOM 766 CZ PHE A 49 31.969 -1.077 -13.286 1.00 2.13 C ATOM 0 H PHE A 49 31.676 -3.064 -18.363 1.00 0.96 H new ATOM 0 HA PHE A 49 29.772 -4.676 -17.663 1.00 0.98 H new ATOM 0 HB2 PHE A 49 31.079 -5.144 -15.593 1.00 1.19 H new ATOM 0 HB3 PHE A 49 32.233 -4.429 -16.701 1.00 1.19 H new ATOM 0 HD1 PHE A 49 32.566 -1.810 -16.518 1.00 3.29 H new ATOM 0 HD2 PHE A 49 30.686 -4.174 -13.518 1.00 1.85 H new ATOM 0 HE1 PHE A 49 32.891 -0.004 -14.883 1.00 3.43 H new ATOM 0 HE2 PHE A 49 31.011 -2.370 -11.882 1.00 2.29 H new ATOM 0 HZ PHE A 49 32.112 -0.281 -12.570 1.00 2.13 H new ATOM 776 N LYS A 50 29.040 -2.344 -15.568 1.00 0.25 N ATOM 777 CA LYS A 50 27.896 -1.806 -14.760 1.00 0.91 C ATOM 778 C LYS A 50 26.970 -1.080 -15.733 1.00 1.27 C ATOM 779 O LYS A 50 25.819 -1.412 -15.909 1.00 2.86 O ATOM 780 CB LYS A 50 28.482 -0.833 -13.655 1.00 1.17 C ATOM 781 CG LYS A 50 27.419 0.236 -13.170 1.00 1.47 C ATOM 782 CD LYS A 50 27.853 1.013 -11.847 1.00 1.83 C ATOM 783 CE LYS A 50 29.111 1.899 -12.074 1.00 2.28 C ATOM 784 NZ LYS A 50 29.487 2.625 -10.805 1.00 3.46 N ATOM 0 H LYS A 50 29.911 -1.822 -15.470 1.00 0.25 H new ATOM 0 HA LYS A 50 27.334 -2.587 -14.248 1.00 0.91 H new ATOM 0 HB2 LYS A 50 28.820 -1.419 -12.801 1.00 1.17 H new ATOM 0 HB3 LYS A 50 29.356 -0.318 -14.054 1.00 1.17 H new ATOM 0 HG2 LYS A 50 27.253 0.959 -13.968 1.00 1.47 H new ATOM 0 HG3 LYS A 50 26.468 -0.265 -12.991 1.00 1.47 H new ATOM 0 HD2 LYS A 50 27.027 1.638 -11.507 1.00 1.83 H new ATOM 0 HD3 LYS A 50 28.056 0.293 -11.054 1.00 1.83 H new ATOM 0 HE2 LYS A 50 29.944 1.279 -12.405 1.00 2.28 H new ATOM 0 HE3 LYS A 50 28.916 2.620 -12.868 1.00 2.28 H new ATOM 0 HZ1 LYS A 50 30.329 3.211 -10.977 1.00 3.46 H new ATOM 0 HZ2 LYS A 50 28.698 3.232 -10.506 1.00 3.46 H new ATOM 0 HZ3 LYS A 50 29.694 1.933 -10.057 1.00 3.46 H new ATOM 798 N GLY A 51 27.562 -0.092 -16.336 1.00 0.70 N ATOM 799 CA GLY A 51 26.877 0.791 -17.348 1.00 0.79 C ATOM 800 C GLY A 51 25.870 0.012 -18.218 1.00 0.61 C ATOM 801 O GLY A 51 24.672 0.196 -18.131 1.00 0.42 O ATOM 0 H GLY A 51 28.536 0.159 -16.168 1.00 0.70 H new ATOM 0 HA2 GLY A 51 26.359 1.598 -16.831 1.00 0.79 H new ATOM 0 HA3 GLY A 51 27.627 1.254 -17.990 1.00 0.79 H new ATOM 805 N LYS A 52 26.388 -0.860 -19.033 1.00 0.69 N ATOM 806 CA LYS A 52 25.495 -1.680 -19.939 1.00 0.60 C ATOM 807 C LYS A 52 24.520 -2.585 -19.186 1.00 0.52 C ATOM 808 O LYS A 52 23.362 -2.627 -19.516 1.00 0.48 O ATOM 809 CB LYS A 52 26.284 -2.650 -20.878 1.00 0.68 C ATOM 810 CG LYS A 52 26.889 -1.996 -22.130 1.00 0.34 C ATOM 811 CD LYS A 52 28.093 -1.167 -21.710 1.00 2.07 C ATOM 812 CE LYS A 52 28.962 -0.808 -22.923 1.00 2.27 C ATOM 813 NZ LYS A 52 29.661 -2.059 -23.355 1.00 1.27 N ATOM 0 H LYS A 52 27.386 -1.051 -19.122 1.00 0.69 H new ATOM 0 HA LYS A 52 24.970 -0.909 -20.503 1.00 0.60 H new ATOM 0 HB2 LYS A 52 27.087 -3.113 -20.305 1.00 0.68 H new ATOM 0 HB3 LYS A 52 25.615 -3.451 -21.193 1.00 0.68 H new ATOM 0 HG2 LYS A 52 27.187 -2.759 -22.849 1.00 0.34 H new ATOM 0 HG3 LYS A 52 26.149 -1.366 -22.623 1.00 0.34 H new ATOM 0 HD2 LYS A 52 27.757 -0.255 -21.216 1.00 2.07 H new ATOM 0 HD3 LYS A 52 28.687 -1.723 -20.984 1.00 2.07 H new ATOM 0 HE2 LYS A 52 28.348 -0.412 -23.732 1.00 2.27 H new ATOM 0 HE3 LYS A 52 29.684 -0.034 -22.663 1.00 2.27 H new ATOM 0 HZ1 LYS A 52 30.592 -1.817 -23.752 1.00 1.27 H new ATOM 0 HZ2 LYS A 52 29.786 -2.687 -22.536 1.00 1.27 H new ATOM 0 HZ3 LYS A 52 29.091 -2.543 -24.078 1.00 1.27 H new ATOM 827 N ALA A 53 25.038 -3.226 -18.180 1.00 0.78 N ATOM 828 CA ALA A 53 24.227 -4.152 -17.388 1.00 0.81 C ATOM 829 C ALA A 53 22.988 -3.415 -16.866 1.00 0.82 C ATOM 830 O ALA A 53 21.900 -3.878 -17.138 1.00 0.74 O ATOM 831 CB ALA A 53 25.122 -4.682 -16.276 1.00 0.88 C ATOM 0 H ALA A 53 26.008 -3.138 -17.877 1.00 0.78 H new ATOM 0 HA ALA A 53 23.859 -4.996 -17.972 1.00 0.81 H new ATOM 0 HB1 ALA A 53 24.558 -5.380 -15.657 1.00 0.88 H new ATOM 0 HB2 ALA A 53 25.979 -5.195 -16.712 1.00 0.88 H new ATOM 0 HB3 ALA A 53 25.470 -3.851 -15.662 1.00 0.88 H new ATOM 837 N LYS A 54 23.137 -2.311 -16.164 1.00 0.92 N ATOM 838 CA LYS A 54 21.881 -1.655 -15.695 1.00 0.95 C ATOM 839 C LYS A 54 21.059 -1.070 -16.850 1.00 0.88 C ATOM 840 O LYS A 54 19.969 -0.593 -16.602 1.00 1.01 O ATOM 841 CB LYS A 54 22.231 -0.563 -14.673 1.00 1.08 C ATOM 842 CG LYS A 54 23.567 0.047 -15.008 1.00 0.64 C ATOM 843 CD LYS A 54 23.746 1.261 -14.190 1.00 1.14 C ATOM 844 CE LYS A 54 22.959 2.434 -14.822 1.00 1.53 C ATOM 845 NZ LYS A 54 22.925 3.581 -13.887 1.00 1.26 N ATOM 0 H LYS A 54 24.017 -1.862 -15.910 1.00 0.92 H new ATOM 0 HA LYS A 54 21.259 -2.417 -15.226 1.00 0.95 H new ATOM 0 HB2 LYS A 54 21.460 0.207 -14.673 1.00 1.08 H new ATOM 0 HB3 LYS A 54 22.257 -0.988 -13.669 1.00 1.08 H new ATOM 0 HG2 LYS A 54 24.369 -0.665 -14.810 1.00 0.64 H new ATOM 0 HG3 LYS A 54 23.615 0.294 -16.068 1.00 0.64 H new ATOM 0 HD2 LYS A 54 23.396 1.081 -13.173 1.00 1.14 H new ATOM 0 HD3 LYS A 54 24.804 1.514 -14.123 1.00 1.14 H new ATOM 0 HE2 LYS A 54 23.426 2.733 -15.760 1.00 1.53 H new ATOM 0 HE3 LYS A 54 21.943 2.116 -15.058 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 22.042 4.114 -14.023 1.00 1.26 H new ATOM 0 HZ2 LYS A 54 22.972 3.233 -12.908 1.00 1.26 H new ATOM 0 HZ3 LYS A 54 23.737 4.204 -14.072 1.00 1.26 H new ATOM 859 N TRP A 55 21.543 -1.084 -18.073 1.00 0.80 N ATOM 860 CA TRP A 55 20.723 -0.532 -19.205 1.00 0.79 C ATOM 861 C TRP A 55 20.053 -1.864 -19.526 1.00 0.51 C ATOM 862 O TRP A 55 18.894 -2.055 -19.229 1.00 0.50 O ATOM 863 CB TRP A 55 21.612 -0.087 -20.385 1.00 0.76 C ATOM 864 CG TRP A 55 20.688 0.621 -21.388 1.00 0.78 C ATOM 865 CD1 TRP A 55 20.165 1.861 -21.202 1.00 1.03 C ATOM 866 CD2 TRP A 55 20.234 0.120 -22.560 1.00 0.71 C ATOM 867 NE1 TRP A 55 19.419 2.036 -22.280 1.00 1.10 N ATOM 868 CE2 TRP A 55 19.392 1.047 -23.161 1.00 0.95 C ATOM 869 CE3 TRP A 55 20.477 -1.100 -23.191 1.00 0.60 C ATOM 870 CZ2 TRP A 55 18.795 0.749 -24.384 1.00 1.12 C ATOM 871 CZ3 TRP A 55 19.884 -1.398 -24.413 1.00 0.79 C ATOM 872 CH2 TRP A 55 19.038 -0.474 -25.015 1.00 1.04 C ATOM 0 H TRP A 55 22.459 -1.449 -18.335 1.00 0.80 H new ATOM 0 HA TRP A 55 20.099 0.338 -19.002 1.00 0.79 H new ATOM 0 HB2 TRP A 55 22.401 0.584 -20.044 1.00 0.76 H new ATOM 0 HB3 TRP A 55 22.101 -0.945 -20.847 1.00 0.76 H new ATOM 0 HD1 TRP A 55 20.320 2.539 -20.375 1.00 1.03 H new ATOM 0 HE1 TRP A 55 18.888 2.894 -22.427 1.00 1.10 H new ATOM 0 HE3 TRP A 55 21.133 -1.821 -22.726 1.00 0.60 H new ATOM 0 HZ2 TRP A 55 18.138 1.470 -24.849 1.00 1.12 H new ATOM 0 HZ3 TRP A 55 20.080 -2.345 -24.893 1.00 0.79 H new ATOM 0 HH2 TRP A 55 18.572 -0.699 -25.963 1.00 1.04 H new ATOM 883 N ASP A 56 20.769 -2.766 -20.139 1.00 0.74 N ATOM 884 CA ASP A 56 20.252 -4.125 -20.485 1.00 0.50 C ATOM 885 C ASP A 56 19.207 -4.654 -19.468 1.00 0.47 C ATOM 886 O ASP A 56 18.049 -4.833 -19.796 1.00 0.53 O ATOM 887 CB ASP A 56 21.575 -4.907 -20.591 1.00 0.46 C ATOM 888 CG ASP A 56 22.187 -4.624 -21.947 1.00 0.39 C ATOM 889 OD1 ASP A 56 22.643 -3.504 -22.134 1.00 2.26 O ATOM 890 OD2 ASP A 56 22.166 -5.541 -22.749 1.00 1.68 O ATOM 0 H ASP A 56 21.735 -2.610 -20.427 1.00 0.74 H new ATOM 0 HA ASP A 56 19.660 -4.193 -21.398 1.00 0.50 H new ATOM 0 HB2 ASP A 56 22.258 -4.607 -19.796 1.00 0.46 H new ATOM 0 HB3 ASP A 56 21.395 -5.975 -20.471 1.00 0.46 H new ATOM 895 N ALA A 57 19.667 -4.871 -18.264 1.00 0.35 N ATOM 896 CA ALA A 57 18.837 -5.371 -17.130 1.00 0.32 C ATOM 897 C ALA A 57 17.468 -4.640 -17.042 1.00 0.29 C ATOM 898 O ALA A 57 16.485 -5.194 -16.603 1.00 0.32 O ATOM 899 CB ALA A 57 19.686 -5.178 -15.857 1.00 0.23 C ATOM 0 H ALA A 57 20.642 -4.711 -18.010 1.00 0.35 H new ATOM 0 HA ALA A 57 18.582 -6.422 -17.267 1.00 0.32 H new ATOM 0 HB1 ALA A 57 19.126 -5.529 -14.990 1.00 0.23 H new ATOM 0 HB2 ALA A 57 20.611 -5.748 -15.947 1.00 0.23 H new ATOM 0 HB3 ALA A 57 19.922 -4.121 -15.734 1.00 0.23 H new ATOM 905 N TRP A 58 17.431 -3.399 -17.469 1.00 0.31 N ATOM 906 CA TRP A 58 16.167 -2.561 -17.454 1.00 0.38 C ATOM 907 C TRP A 58 15.481 -2.590 -18.862 1.00 0.54 C ATOM 908 O TRP A 58 14.274 -2.595 -19.025 1.00 0.61 O ATOM 909 CB TRP A 58 16.534 -1.095 -17.057 1.00 0.43 C ATOM 910 CG TRP A 58 15.286 -0.204 -17.226 1.00 0.35 C ATOM 911 CD1 TRP A 58 13.998 -0.620 -17.051 1.00 0.41 C ATOM 912 CD2 TRP A 58 15.282 1.100 -17.587 1.00 0.40 C ATOM 913 NE1 TRP A 58 13.305 0.472 -17.327 1.00 0.31 N ATOM 914 CE2 TRP A 58 13.977 1.560 -17.660 1.00 0.44 C ATOM 915 CE3 TRP A 58 16.331 1.971 -17.853 1.00 0.59 C ATOM 916 CZ2 TRP A 58 13.720 2.890 -18.002 1.00 0.71 C ATOM 917 CZ3 TRP A 58 16.080 3.303 -18.193 1.00 0.89 C ATOM 918 CH2 TRP A 58 14.771 3.763 -18.270 1.00 0.95 C ATOM 0 H TRP A 58 18.245 -2.910 -17.840 1.00 0.31 H new ATOM 0 HA TRP A 58 15.466 -2.969 -16.726 1.00 0.38 H new ATOM 0 HB2 TRP A 58 16.885 -1.060 -16.026 1.00 0.43 H new ATOM 0 HB3 TRP A 58 17.347 -0.727 -17.683 1.00 0.43 H new ATOM 0 HD1 TRP A 58 13.636 -1.595 -16.760 1.00 0.41 H new ATOM 0 HE1 TRP A 58 12.286 0.474 -17.284 1.00 0.31 H new ATOM 0 HE3 TRP A 58 17.349 1.616 -17.797 1.00 0.59 H new ATOM 0 HZ2 TRP A 58 12.701 3.243 -18.059 1.00 0.71 H new ATOM 0 HZ3 TRP A 58 16.902 3.974 -18.396 1.00 0.89 H new ATOM 0 HH2 TRP A 58 14.570 4.790 -18.536 1.00 0.95 H new ATOM 929 N ASN A 59 16.291 -2.620 -19.876 1.00 0.58 N ATOM 930 CA ASN A 59 15.759 -2.655 -21.280 1.00 0.74 C ATOM 931 C ASN A 59 14.858 -3.903 -21.357 1.00 0.77 C ATOM 932 O ASN A 59 13.768 -3.925 -21.892 1.00 0.87 O ATOM 933 CB ASN A 59 16.938 -2.770 -22.260 1.00 0.75 C ATOM 934 CG ASN A 59 16.429 -2.687 -23.704 1.00 1.07 C ATOM 935 OD1 ASN A 59 15.364 -2.182 -23.994 1.00 1.16 O ATOM 936 ND2 ASN A 59 17.154 -3.161 -24.665 1.00 1.37 N ATOM 0 H ASN A 59 17.308 -2.622 -19.802 1.00 0.58 H new ATOM 0 HA ASN A 59 15.199 -1.756 -21.538 1.00 0.74 H new ATOM 0 HB2 ASN A 59 17.657 -1.972 -22.073 1.00 0.75 H new ATOM 0 HB3 ASN A 59 17.461 -3.713 -22.104 1.00 0.75 H new ATOM 0 HD21 ASN A 59 16.825 -3.103 -25.629 1.00 1.37 H new ATOM 0 HD22 ASN A 59 18.055 -3.593 -24.459 1.00 1.37 H new ATOM 943 N GLU A 60 15.406 -4.918 -20.763 1.00 0.70 N ATOM 944 CA GLU A 60 14.766 -6.252 -20.678 1.00 0.80 C ATOM 945 C GLU A 60 13.399 -6.287 -19.952 1.00 0.59 C ATOM 946 O GLU A 60 12.634 -7.215 -20.116 1.00 0.75 O ATOM 947 CB GLU A 60 15.826 -7.131 -20.011 1.00 0.93 C ATOM 948 CG GLU A 60 15.316 -8.581 -19.959 1.00 1.03 C ATOM 949 CD GLU A 60 16.406 -9.514 -19.444 1.00 1.90 C ATOM 950 OE1 GLU A 60 16.728 -9.383 -18.276 1.00 0.93 O ATOM 951 OE2 GLU A 60 16.848 -10.299 -20.259 1.00 3.85 O ATOM 0 H GLU A 60 16.319 -4.873 -20.310 1.00 0.70 H new ATOM 0 HA GLU A 60 14.483 -6.606 -21.669 1.00 0.80 H new ATOM 0 HB2 GLU A 60 16.761 -7.081 -20.569 1.00 0.93 H new ATOM 0 HB3 GLU A 60 16.035 -6.769 -19.004 1.00 0.93 H new ATOM 0 HG2 GLU A 60 14.442 -8.642 -19.311 1.00 1.03 H new ATOM 0 HG3 GLU A 60 14.999 -8.897 -20.953 1.00 1.03 H new ATOM 958 N LEU A 61 13.110 -5.281 -19.178 1.00 0.28 N ATOM 959 CA LEU A 61 11.812 -5.202 -18.415 1.00 0.11 C ATOM 960 C LEU A 61 10.972 -4.001 -18.904 1.00 0.36 C ATOM 961 O LEU A 61 9.819 -3.846 -18.540 1.00 0.67 O ATOM 962 CB LEU A 61 12.100 -5.006 -16.906 1.00 0.31 C ATOM 963 CG LEU A 61 13.214 -5.912 -16.379 1.00 0.40 C ATOM 964 CD1 LEU A 61 13.297 -5.678 -14.878 1.00 0.67 C ATOM 965 CD2 LEU A 61 12.847 -7.367 -16.619 1.00 0.52 C ATOM 0 H LEU A 61 13.729 -4.484 -19.032 1.00 0.28 H new ATOM 0 HA LEU A 61 11.264 -6.130 -18.580 1.00 0.11 H new ATOM 0 HB2 LEU A 61 12.372 -3.966 -16.728 1.00 0.31 H new ATOM 0 HB3 LEU A 61 11.188 -5.198 -16.341 1.00 0.31 H new ATOM 0 HG LEU A 61 14.158 -5.694 -16.878 1.00 0.40 H new ATOM 0 HD11 LEU A 61 14.082 -6.305 -14.455 1.00 0.67 H new ATOM 0 HD12 LEU A 61 13.527 -4.630 -14.685 1.00 0.67 H new ATOM 0 HD13 LEU A 61 12.342 -5.931 -14.417 1.00 0.67 H new ATOM 0 HD21 LEU A 61 13.643 -8.010 -16.242 1.00 0.52 H new ATOM 0 HD22 LEU A 61 11.917 -7.598 -16.099 1.00 0.52 H new ATOM 0 HD23 LEU A 61 12.718 -7.538 -17.688 1.00 0.52 H new ATOM 977 N LYS A 62 11.615 -3.241 -19.739 1.00 0.79 N ATOM 978 CA LYS A 62 11.114 -2.002 -20.375 1.00 0.98 C ATOM 979 C LYS A 62 9.651 -1.664 -20.378 1.00 1.35 C ATOM 980 O LYS A 62 9.320 -0.529 -20.112 1.00 1.97 O ATOM 981 CB LYS A 62 11.683 -2.046 -21.813 1.00 0.89 C ATOM 982 CG LYS A 62 11.245 -0.843 -22.641 1.00 1.01 C ATOM 983 CD LYS A 62 11.834 -0.956 -24.064 1.00 1.81 C ATOM 984 CE LYS A 62 11.009 -1.893 -24.908 1.00 1.81 C ATOM 985 NZ LYS A 62 9.679 -1.249 -25.135 1.00 1.83 N ATOM 0 H LYS A 62 12.567 -3.461 -20.030 1.00 0.79 H new ATOM 0 HA LYS A 62 11.455 -1.187 -19.737 1.00 0.98 H new ATOM 0 HB2 LYS A 62 12.772 -2.079 -21.771 1.00 0.89 H new ATOM 0 HB3 LYS A 62 11.355 -2.962 -22.304 1.00 0.89 H new ATOM 0 HG2 LYS A 62 10.157 -0.798 -22.689 1.00 1.01 H new ATOM 0 HG3 LYS A 62 11.582 0.080 -22.168 1.00 1.01 H new ATOM 0 HD2 LYS A 62 11.865 0.029 -24.530 1.00 1.81 H new ATOM 0 HD3 LYS A 62 12.861 -1.316 -24.010 1.00 1.81 H new ATOM 0 HE2 LYS A 62 11.506 -2.090 -25.858 1.00 1.81 H new ATOM 0 HE3 LYS A 62 10.888 -2.853 -24.407 1.00 1.81 H new ATOM 0 HZ1 LYS A 62 8.923 -1.935 -24.938 1.00 1.83 H new ATOM 0 HZ2 LYS A 62 9.577 -0.430 -24.502 1.00 1.83 H new ATOM 0 HZ3 LYS A 62 9.611 -0.933 -26.123 1.00 1.83 H new ATOM 999 N GLY A 63 8.840 -2.633 -20.641 1.00 1.07 N ATOM 1000 CA GLY A 63 7.356 -2.405 -20.693 1.00 1.35 C ATOM 1001 C GLY A 63 6.612 -3.389 -19.807 1.00 0.93 C ATOM 1002 O GLY A 63 5.687 -4.043 -20.243 1.00 0.81 O ATOM 0 H GLY A 63 9.132 -3.593 -20.827 1.00 1.07 H new ATOM 0 HA2 GLY A 63 7.132 -1.386 -20.376 1.00 1.35 H new ATOM 0 HA3 GLY A 63 7.007 -2.503 -21.721 1.00 1.35 H new ATOM 1006 N THR A 64 7.054 -3.460 -18.590 1.00 0.84 N ATOM 1007 CA THR A 64 6.402 -4.391 -17.607 1.00 0.62 C ATOM 1008 C THR A 64 5.422 -3.586 -16.785 1.00 0.65 C ATOM 1009 O THR A 64 5.307 -2.381 -16.932 1.00 0.76 O ATOM 1010 CB THR A 64 7.495 -5.008 -16.714 1.00 0.83 C ATOM 1011 OG1 THR A 64 8.134 -5.849 -17.643 1.00 0.85 O ATOM 1012 CG2 THR A 64 7.059 -6.002 -15.632 1.00 1.03 C ATOM 0 H THR A 64 7.837 -2.919 -18.222 1.00 0.84 H new ATOM 0 HA THR A 64 5.870 -5.198 -18.111 1.00 0.62 H new ATOM 0 HB THR A 64 8.013 -4.197 -16.202 1.00 0.83 H new ATOM 0 HG1 THR A 64 8.831 -5.346 -18.114 1.00 0.85 H new ATOM 0 HG21 THR A 64 7.935 -6.351 -15.085 1.00 1.03 H new ATOM 0 HG22 THR A 64 6.372 -5.511 -14.943 1.00 1.03 H new ATOM 0 HG23 THR A 64 6.560 -6.851 -16.098 1.00 1.03 H new ATOM 1020 N SER A 65 4.732 -4.262 -15.910 1.00 0.61 N ATOM 1021 CA SER A 65 3.742 -3.570 -15.047 1.00 0.69 C ATOM 1022 C SER A 65 4.532 -3.110 -13.835 1.00 0.64 C ATOM 1023 O SER A 65 5.067 -3.860 -13.031 1.00 0.64 O ATOM 1024 CB SER A 65 2.646 -4.534 -14.624 1.00 0.59 C ATOM 1025 OG SER A 65 3.363 -5.679 -14.177 1.00 1.06 O ATOM 0 H SER A 65 4.813 -5.267 -15.757 1.00 0.61 H new ATOM 0 HA SER A 65 3.257 -2.741 -15.562 1.00 0.69 H new ATOM 0 HB2 SER A 65 2.026 -4.114 -13.832 1.00 0.59 H new ATOM 0 HB3 SER A 65 1.982 -4.775 -15.454 1.00 0.59 H new ATOM 0 HG SER A 65 2.921 -6.054 -13.387 1.00 1.06 H new ATOM 1031 N LYS A 66 4.590 -1.813 -13.770 1.00 0.62 N ATOM 1032 CA LYS A 66 5.310 -1.117 -12.670 1.00 0.60 C ATOM 1033 C LYS A 66 5.125 -1.873 -11.371 1.00 0.57 C ATOM 1034 O LYS A 66 6.083 -2.189 -10.708 1.00 0.56 O ATOM 1035 CB LYS A 66 4.752 0.310 -12.711 1.00 0.57 C ATOM 1036 CG LYS A 66 5.337 0.979 -14.020 1.00 0.58 C ATOM 1037 CD LYS A 66 4.294 1.871 -14.730 1.00 1.31 C ATOM 1038 CE LYS A 66 3.858 3.008 -13.805 1.00 2.49 C ATOM 1039 NZ LYS A 66 2.958 3.937 -14.570 1.00 3.51 N ATOM 0 H LYS A 66 4.157 -1.189 -14.451 1.00 0.62 H new ATOM 0 HA LYS A 66 6.394 -1.077 -12.772 1.00 0.60 H new ATOM 0 HB2 LYS A 66 3.662 0.301 -12.733 1.00 0.57 H new ATOM 0 HB3 LYS A 66 5.048 0.869 -11.823 1.00 0.57 H new ATOM 0 HG2 LYS A 66 6.210 1.578 -13.762 1.00 0.58 H new ATOM 0 HG3 LYS A 66 5.675 0.201 -14.705 1.00 0.58 H new ATOM 0 HD2 LYS A 66 4.718 2.280 -15.647 1.00 1.31 H new ATOM 0 HD3 LYS A 66 3.429 1.274 -15.018 1.00 1.31 H new ATOM 0 HE2 LYS A 66 3.336 2.608 -12.936 1.00 2.49 H new ATOM 0 HE3 LYS A 66 4.729 3.547 -13.434 1.00 2.49 H new ATOM 0 HZ1 LYS A 66 2.655 4.715 -13.950 1.00 3.51 H new ATOM 0 HZ2 LYS A 66 3.473 4.325 -15.386 1.00 3.51 H new ATOM 0 HZ3 LYS A 66 2.123 3.415 -14.904 1.00 3.51 H new ATOM 1053 N GLU A 67 3.888 -2.126 -11.102 1.00 0.63 N ATOM 1054 CA GLU A 67 3.414 -2.860 -9.911 1.00 0.65 C ATOM 1055 C GLU A 67 4.108 -4.225 -9.654 1.00 0.65 C ATOM 1056 O GLU A 67 4.622 -4.459 -8.575 1.00 0.70 O ATOM 1057 CB GLU A 67 1.898 -2.984 -10.136 1.00 0.65 C ATOM 1058 CG GLU A 67 1.183 -1.581 -9.912 1.00 0.32 C ATOM 1059 CD GLU A 67 -0.363 -1.661 -9.954 1.00 0.55 C ATOM 1060 OE1 GLU A 67 -0.873 -2.564 -9.306 1.00 1.53 O ATOM 1061 OE2 GLU A 67 -0.947 -0.816 -10.621 1.00 2.83 O ATOM 0 H GLU A 67 3.127 -1.828 -11.712 1.00 0.63 H new ATOM 0 HA GLU A 67 3.667 -2.323 -8.997 1.00 0.65 H new ATOM 0 HB2 GLU A 67 1.703 -3.341 -11.147 1.00 0.65 H new ATOM 0 HB3 GLU A 67 1.482 -3.724 -9.452 1.00 0.65 H new ATOM 0 HG2 GLU A 67 1.492 -1.175 -8.949 1.00 0.32 H new ATOM 0 HG3 GLU A 67 1.524 -0.883 -10.676 1.00 0.32 H new ATOM 1068 N ASP A 68 4.154 -5.132 -10.597 1.00 0.60 N ATOM 1069 CA ASP A 68 4.828 -6.433 -10.315 1.00 0.63 C ATOM 1070 C ASP A 68 6.291 -6.231 -10.015 1.00 0.70 C ATOM 1071 O ASP A 68 6.882 -6.843 -9.142 1.00 0.74 O ATOM 1072 CB ASP A 68 4.581 -7.267 -11.531 1.00 0.65 C ATOM 1073 CG ASP A 68 3.154 -7.718 -11.432 1.00 0.60 C ATOM 1074 OD1 ASP A 68 2.362 -6.910 -11.873 1.00 2.24 O ATOM 1075 OD2 ASP A 68 2.902 -8.786 -10.912 1.00 2.23 O ATOM 0 H ASP A 68 3.762 -5.031 -11.533 1.00 0.60 H new ATOM 0 HA ASP A 68 4.437 -6.929 -9.427 1.00 0.63 H new ATOM 0 HB2 ASP A 68 4.747 -6.691 -12.441 1.00 0.65 H new ATOM 0 HB3 ASP A 68 5.259 -8.119 -11.565 1.00 0.65 H new ATOM 1080 N ALA A 69 6.804 -5.317 -10.784 1.00 0.69 N ATOM 1081 CA ALA A 69 8.234 -4.960 -10.653 1.00 0.78 C ATOM 1082 C ALA A 69 8.304 -4.454 -9.208 1.00 0.72 C ATOM 1083 O ALA A 69 9.128 -4.936 -8.478 1.00 0.97 O ATOM 1084 CB ALA A 69 8.561 -3.877 -11.691 1.00 0.81 C ATOM 0 H ALA A 69 6.291 -4.802 -11.499 1.00 0.69 H new ATOM 0 HA ALA A 69 8.949 -5.763 -10.833 1.00 0.78 H new ATOM 0 HB1 ALA A 69 9.612 -3.601 -11.610 1.00 0.81 H new ATOM 0 HB2 ALA A 69 8.363 -4.261 -12.692 1.00 0.81 H new ATOM 0 HB3 ALA A 69 7.940 -3.000 -11.509 1.00 0.81 H new ATOM 1090 N MET A 70 7.471 -3.520 -8.832 1.00 0.43 N ATOM 1091 CA MET A 70 7.468 -2.982 -7.433 1.00 0.36 C ATOM 1092 C MET A 70 7.478 -4.136 -6.438 1.00 0.29 C ATOM 1093 O MET A 70 8.375 -4.173 -5.631 1.00 0.28 O ATOM 1094 CB MET A 70 6.200 -2.090 -7.243 1.00 0.29 C ATOM 1095 CG MET A 70 6.276 -0.804 -8.081 1.00 0.41 C ATOM 1096 SD MET A 70 4.722 0.079 -8.366 1.00 0.52 S ATOM 1097 CE MET A 70 5.401 1.651 -8.959 1.00 0.55 C ATOM 0 H MET A 70 6.776 -3.096 -9.447 1.00 0.43 H new ATOM 0 HA MET A 70 8.358 -2.378 -7.257 1.00 0.36 H new ATOM 0 HB2 MET A 70 5.312 -2.656 -7.525 1.00 0.29 H new ATOM 0 HB3 MET A 70 6.092 -1.832 -6.190 1.00 0.29 H new ATOM 0 HG2 MET A 70 6.970 -0.121 -7.592 1.00 0.41 H new ATOM 0 HG3 MET A 70 6.706 -1.055 -9.050 1.00 0.41 H new ATOM 0 HE1 MET A 70 4.629 2.201 -9.498 1.00 0.55 H new ATOM 0 HE2 MET A 70 5.743 2.243 -8.110 1.00 0.55 H new ATOM 0 HE3 MET A 70 6.240 1.456 -9.627 1.00 0.55 H new ATOM 1107 N LYS A 71 6.512 -5.015 -6.508 1.00 0.28 N ATOM 1108 CA LYS A 71 6.449 -6.183 -5.579 1.00 0.32 C ATOM 1109 C LYS A 71 7.871 -6.776 -5.451 1.00 0.38 C ATOM 1110 O LYS A 71 8.507 -6.689 -4.421 1.00 0.32 O ATOM 1111 CB LYS A 71 5.444 -7.234 -6.169 1.00 0.32 C ATOM 1112 CG LYS A 71 4.032 -6.607 -6.310 1.00 0.26 C ATOM 1113 CD LYS A 71 3.147 -7.483 -7.267 1.00 1.96 C ATOM 1114 CE LYS A 71 2.132 -6.568 -7.997 1.00 1.65 C ATOM 1115 NZ LYS A 71 1.588 -7.260 -9.217 1.00 3.52 N ATOM 0 H LYS A 71 5.749 -4.971 -7.184 1.00 0.28 H new ATOM 0 HA LYS A 71 6.101 -5.889 -4.589 1.00 0.32 H new ATOM 0 HB2 LYS A 71 5.796 -7.578 -7.142 1.00 0.32 H new ATOM 0 HB3 LYS A 71 5.398 -8.108 -5.520 1.00 0.32 H new ATOM 0 HG2 LYS A 71 3.559 -6.533 -5.331 1.00 0.26 H new ATOM 0 HG3 LYS A 71 4.113 -5.593 -6.703 1.00 0.26 H new ATOM 0 HD2 LYS A 71 3.776 -8.001 -7.992 1.00 1.96 H new ATOM 0 HD3 LYS A 71 2.621 -8.249 -6.697 1.00 1.96 H new ATOM 0 HE2 LYS A 71 1.315 -6.309 -7.323 1.00 1.65 H new ATOM 0 HE3 LYS A 71 2.615 -5.635 -8.285 1.00 1.65 H new ATOM 0 HZ1 LYS A 71 1.633 -6.614 -10.031 1.00 3.52 H new ATOM 0 HZ2 LYS A 71 2.155 -8.109 -9.417 1.00 3.52 H new ATOM 0 HZ3 LYS A 71 0.600 -7.536 -9.048 1.00 3.52 H new ATOM 1129 N ALA A 72 8.352 -7.348 -6.523 1.00 0.54 N ATOM 1130 CA ALA A 72 9.723 -7.942 -6.456 1.00 0.57 C ATOM 1131 C ALA A 72 10.786 -6.912 -5.984 1.00 0.62 C ATOM 1132 O ALA A 72 11.618 -7.232 -5.159 1.00 0.83 O ATOM 1133 CB ALA A 72 10.027 -8.486 -7.846 1.00 0.55 C ATOM 0 H ALA A 72 7.872 -7.430 -7.420 1.00 0.54 H new ATOM 0 HA ALA A 72 9.760 -8.740 -5.714 1.00 0.57 H new ATOM 0 HB1 ALA A 72 11.021 -8.933 -7.852 1.00 0.55 H new ATOM 0 HB2 ALA A 72 9.288 -9.242 -8.111 1.00 0.55 H new ATOM 0 HB3 ALA A 72 9.990 -7.673 -8.571 1.00 0.55 H new ATOM 1139 N TYR A 73 10.747 -5.710 -6.503 1.00 0.51 N ATOM 1140 CA TYR A 73 11.724 -4.655 -6.112 1.00 0.47 C ATOM 1141 C TYR A 73 11.774 -4.581 -4.598 1.00 0.37 C ATOM 1142 O TYR A 73 12.808 -4.787 -4.014 1.00 0.36 O ATOM 1143 CB TYR A 73 11.258 -3.319 -6.726 1.00 0.45 C ATOM 1144 CG TYR A 73 12.166 -2.170 -6.275 1.00 0.42 C ATOM 1145 CD1 TYR A 73 13.344 -1.948 -6.942 1.00 0.46 C ATOM 1146 CD2 TYR A 73 11.833 -1.354 -5.207 1.00 0.42 C ATOM 1147 CE1 TYR A 73 14.181 -0.935 -6.554 1.00 0.49 C ATOM 1148 CE2 TYR A 73 12.677 -0.336 -4.824 1.00 0.45 C ATOM 1149 CZ TYR A 73 13.848 -0.129 -5.497 1.00 0.48 C ATOM 1150 OH TYR A 73 14.675 0.882 -5.088 1.00 0.52 O ATOM 0 H TYR A 73 10.062 -5.412 -7.197 1.00 0.51 H new ATOM 0 HA TYR A 73 12.726 -4.879 -6.478 1.00 0.47 H new ATOM 0 HB2 TYR A 73 11.266 -3.390 -7.814 1.00 0.45 H new ATOM 0 HB3 TYR A 73 10.230 -3.115 -6.428 1.00 0.45 H new ATOM 0 HD1 TYR A 73 13.613 -2.576 -7.778 1.00 0.46 H new ATOM 0 HD2 TYR A 73 10.908 -1.517 -4.673 1.00 0.42 H new ATOM 0 HE1 TYR A 73 15.108 -0.771 -7.084 1.00 0.49 H new ATOM 0 HE2 TYR A 73 12.413 0.299 -3.991 1.00 0.45 H new ATOM 0 HH TYR A 73 15.390 1.006 -5.746 1.00 0.52 H new ATOM 1160 N ILE A 74 10.634 -4.306 -4.033 1.00 0.30 N ATOM 1161 CA ILE A 74 10.457 -4.177 -2.555 1.00 0.23 C ATOM 1162 C ILE A 74 10.902 -5.463 -1.841 1.00 0.36 C ATOM 1163 O ILE A 74 11.570 -5.398 -0.832 1.00 0.56 O ATOM 1164 CB ILE A 74 8.968 -3.870 -2.290 1.00 0.18 C ATOM 1165 CG1 ILE A 74 8.529 -2.570 -3.003 1.00 0.16 C ATOM 1166 CG2 ILE A 74 8.808 -3.646 -0.755 1.00 0.38 C ATOM 1167 CD1 ILE A 74 6.980 -2.480 -2.979 1.00 0.35 C ATOM 0 H ILE A 74 9.774 -4.158 -4.561 1.00 0.30 H new ATOM 0 HA ILE A 74 11.077 -3.371 -2.162 1.00 0.23 H new ATOM 0 HB ILE A 74 8.360 -4.696 -2.660 1.00 0.18 H new ATOM 0 HG12 ILE A 74 8.964 -1.703 -2.507 1.00 0.16 H new ATOM 0 HG13 ILE A 74 8.891 -2.564 -4.031 1.00 0.16 H new ATOM 0 HG21 ILE A 74 7.765 -3.426 -0.526 1.00 0.38 H new ATOM 0 HG22 ILE A 74 9.114 -4.546 -0.222 1.00 0.38 H new ATOM 0 HG23 ILE A 74 9.433 -2.809 -0.442 1.00 0.38 H new ATOM 0 HD11 ILE A 74 6.661 -1.566 -3.480 1.00 0.35 H new ATOM 0 HD12 ILE A 74 6.557 -3.343 -3.494 1.00 0.35 H new ATOM 0 HD13 ILE A 74 6.632 -2.468 -1.946 1.00 0.35 H new ATOM 1179 N ASP A 75 10.549 -6.584 -2.405 1.00 0.28 N ATOM 1180 CA ASP A 75 10.911 -7.911 -1.820 1.00 0.35 C ATOM 1181 C ASP A 75 12.432 -8.195 -2.008 1.00 0.41 C ATOM 1182 O ASP A 75 13.051 -8.986 -1.319 1.00 0.56 O ATOM 1183 CB ASP A 75 9.981 -8.887 -2.538 1.00 0.54 C ATOM 1184 CG ASP A 75 8.638 -8.957 -1.819 1.00 0.69 C ATOM 1185 OD1 ASP A 75 8.006 -7.917 -1.770 1.00 0.58 O ATOM 1186 OD2 ASP A 75 8.333 -10.047 -1.368 1.00 0.96 O ATOM 0 H ASP A 75 10.011 -6.640 -3.270 1.00 0.28 H new ATOM 0 HA ASP A 75 10.774 -7.984 -0.741 1.00 0.35 H new ATOM 0 HB2 ASP A 75 9.834 -8.568 -3.570 1.00 0.54 H new ATOM 0 HB3 ASP A 75 10.436 -9.877 -2.572 1.00 0.54 H new ATOM 1191 N LYS A 76 13.011 -7.497 -2.960 1.00 0.39 N ATOM 1192 CA LYS A 76 14.474 -7.671 -3.237 1.00 0.41 C ATOM 1193 C LYS A 76 15.129 -6.678 -2.247 1.00 0.31 C ATOM 1194 O LYS A 76 16.123 -6.955 -1.616 1.00 0.24 O ATOM 1195 CB LYS A 76 14.777 -7.325 -4.716 1.00 0.55 C ATOM 1196 CG LYS A 76 16.307 -7.618 -4.946 1.00 0.66 C ATOM 1197 CD LYS A 76 16.579 -9.170 -4.870 1.00 0.78 C ATOM 1198 CE LYS A 76 18.081 -9.490 -4.840 1.00 2.47 C ATOM 1199 NZ LYS A 76 18.417 -10.199 -3.561 1.00 3.36 N ATOM 0 H LYS A 76 12.535 -6.818 -3.554 1.00 0.39 H new ATOM 0 HA LYS A 76 14.844 -8.687 -3.102 1.00 0.41 H new ATOM 0 HB2 LYS A 76 14.163 -7.925 -5.387 1.00 0.55 H new ATOM 0 HB3 LYS A 76 14.548 -6.280 -4.924 1.00 0.55 H new ATOM 0 HG2 LYS A 76 16.617 -7.234 -5.918 1.00 0.66 H new ATOM 0 HG3 LYS A 76 16.902 -7.099 -4.194 1.00 0.66 H new ATOM 0 HD2 LYS A 76 16.103 -9.578 -3.978 1.00 0.78 H new ATOM 0 HD3 LYS A 76 16.121 -9.661 -5.729 1.00 0.78 H new ATOM 0 HE2 LYS A 76 18.348 -10.112 -5.694 1.00 2.47 H new ATOM 0 HE3 LYS A 76 18.661 -8.571 -4.922 1.00 2.47 H new ATOM 0 HZ1 LYS A 76 18.995 -9.577 -2.961 1.00 3.36 H new ATOM 0 HZ2 LYS A 76 17.540 -10.446 -3.060 1.00 3.36 H new ATOM 0 HZ3 LYS A 76 18.950 -11.066 -3.774 1.00 3.36 H new ATOM 1213 N VAL A 77 14.578 -5.499 -2.147 1.00 0.32 N ATOM 1214 CA VAL A 77 15.088 -4.458 -1.185 1.00 0.30 C ATOM 1215 C VAL A 77 15.095 -5.276 0.117 1.00 0.25 C ATOM 1216 O VAL A 77 16.079 -5.312 0.820 1.00 0.19 O ATOM 1217 CB VAL A 77 14.098 -3.257 -1.093 1.00 0.31 C ATOM 1218 CG1 VAL A 77 14.569 -2.347 0.054 1.00 0.30 C ATOM 1219 CG2 VAL A 77 14.173 -2.420 -2.390 1.00 0.30 C ATOM 0 H VAL A 77 13.776 -5.199 -2.702 1.00 0.32 H new ATOM 0 HA VAL A 77 16.046 -4.010 -1.449 1.00 0.30 H new ATOM 0 HB VAL A 77 13.085 -3.628 -0.937 1.00 0.31 H new ATOM 0 HG11 VAL A 77 13.894 -1.495 0.143 1.00 0.30 H new ATOM 0 HG12 VAL A 77 14.569 -2.909 0.988 1.00 0.30 H new ATOM 0 HG13 VAL A 77 15.578 -1.990 -0.155 1.00 0.30 H new ATOM 0 HG21 VAL A 77 13.480 -1.581 -2.322 1.00 0.30 H new ATOM 0 HG22 VAL A 77 15.187 -2.043 -2.521 1.00 0.30 H new ATOM 0 HG23 VAL A 77 13.905 -3.045 -3.242 1.00 0.30 H new ATOM 1229 N GLU A 78 13.990 -5.914 0.411 1.00 0.29 N ATOM 1230 CA GLU A 78 13.906 -6.756 1.634 1.00 0.27 C ATOM 1231 C GLU A 78 15.137 -7.710 1.597 1.00 0.30 C ATOM 1232 O GLU A 78 15.915 -7.777 2.524 1.00 0.40 O ATOM 1233 CB GLU A 78 12.535 -7.483 1.583 1.00 0.45 C ATOM 1234 CG GLU A 78 11.765 -7.065 2.865 1.00 1.14 C ATOM 1235 CD GLU A 78 12.477 -7.715 4.048 1.00 3.69 C ATOM 1236 OE1 GLU A 78 13.379 -7.075 4.556 1.00 3.48 O ATOM 1237 OE2 GLU A 78 12.096 -8.821 4.388 1.00 5.76 O ATOM 0 H GLU A 78 13.139 -5.885 -0.150 1.00 0.29 H new ATOM 0 HA GLU A 78 13.945 -6.206 2.574 1.00 0.27 H new ATOM 0 HB2 GLU A 78 11.980 -7.201 0.688 1.00 0.45 H new ATOM 0 HB3 GLU A 78 12.670 -8.564 1.547 1.00 0.45 H new ATOM 0 HG2 GLU A 78 11.754 -5.980 2.971 1.00 1.14 H new ATOM 0 HG3 GLU A 78 10.726 -7.391 2.814 1.00 1.14 H new ATOM 1244 N GLU A 79 15.307 -8.456 0.538 1.00 0.26 N ATOM 1245 CA GLU A 79 16.485 -9.383 0.397 1.00 0.34 C ATOM 1246 C GLU A 79 17.821 -8.759 0.871 1.00 0.29 C ATOM 1247 O GLU A 79 18.553 -9.262 1.699 1.00 0.27 O ATOM 1248 CB GLU A 79 16.628 -9.727 -1.071 1.00 0.49 C ATOM 1249 CG GLU A 79 16.157 -11.112 -1.373 1.00 1.08 C ATOM 1250 CD GLU A 79 17.286 -12.017 -0.944 1.00 2.44 C ATOM 1251 OE1 GLU A 79 18.161 -12.074 -1.796 1.00 3.26 O ATOM 1252 OE2 GLU A 79 17.236 -12.556 0.144 1.00 3.36 O ATOM 0 H GLU A 79 14.668 -8.467 -0.257 1.00 0.26 H new ATOM 0 HA GLU A 79 16.293 -10.254 1.024 1.00 0.34 H new ATOM 0 HB2 GLU A 79 16.059 -9.013 -1.667 1.00 0.49 H new ATOM 0 HB3 GLU A 79 17.673 -9.628 -1.366 1.00 0.49 H new ATOM 0 HG2 GLU A 79 15.240 -11.343 -0.831 1.00 1.08 H new ATOM 0 HG3 GLU A 79 15.939 -11.231 -2.434 1.00 1.08 H new ATOM 1259 N LEU A 80 18.041 -7.620 0.277 1.00 0.26 N ATOM 1260 CA LEU A 80 19.248 -6.770 0.492 1.00 0.24 C ATOM 1261 C LEU A 80 19.303 -6.311 1.935 1.00 0.32 C ATOM 1262 O LEU A 80 20.332 -6.281 2.570 1.00 0.57 O ATOM 1263 CB LEU A 80 19.151 -5.565 -0.446 1.00 0.34 C ATOM 1264 CG LEU A 80 19.306 -5.950 -1.924 1.00 0.34 C ATOM 1265 CD1 LEU A 80 19.159 -4.666 -2.745 1.00 0.56 C ATOM 1266 CD2 LEU A 80 20.740 -6.455 -2.128 1.00 0.48 C ATOM 0 H LEU A 80 17.386 -7.219 -0.394 1.00 0.26 H new ATOM 0 HA LEU A 80 20.156 -7.335 0.280 1.00 0.24 H new ATOM 0 HB2 LEU A 80 18.188 -5.074 -0.302 1.00 0.34 H new ATOM 0 HB3 LEU A 80 19.921 -4.841 -0.181 1.00 0.34 H new ATOM 0 HG LEU A 80 18.574 -6.704 -2.215 1.00 0.34 H new ATOM 0 HD11 LEU A 80 19.263 -4.898 -3.805 1.00 0.56 H new ATOM 0 HD12 LEU A 80 18.177 -4.229 -2.564 1.00 0.56 H new ATOM 0 HD13 LEU A 80 19.932 -3.956 -2.451 1.00 0.56 H new ATOM 0 HD21 LEU A 80 20.881 -6.737 -3.171 1.00 0.48 H new ATOM 0 HD22 LEU A 80 21.444 -5.665 -1.867 1.00 0.48 H new ATOM 0 HD23 LEU A 80 20.914 -7.322 -1.491 1.00 0.48 H new ATOM 1278 N LYS A 81 18.152 -5.949 2.416 1.00 0.24 N ATOM 1279 CA LYS A 81 17.964 -5.468 3.819 1.00 0.54 C ATOM 1280 C LYS A 81 18.408 -6.602 4.724 1.00 0.68 C ATOM 1281 O LYS A 81 19.280 -6.430 5.553 1.00 0.86 O ATOM 1282 CB LYS A 81 16.450 -5.108 3.995 1.00 0.86 C ATOM 1283 CG LYS A 81 16.106 -4.789 5.469 1.00 1.22 C ATOM 1284 CD LYS A 81 14.672 -4.160 5.642 1.00 1.86 C ATOM 1285 CE LYS A 81 14.496 -2.859 4.839 1.00 3.86 C ATOM 1286 NZ LYS A 81 13.386 -2.072 5.463 1.00 5.73 N ATOM 0 H LYS A 81 17.290 -5.966 1.871 1.00 0.24 H new ATOM 0 HA LYS A 81 18.545 -4.579 4.062 1.00 0.54 H new ATOM 0 HB2 LYS A 81 16.205 -4.249 3.370 1.00 0.86 H new ATOM 0 HB3 LYS A 81 15.836 -5.939 3.650 1.00 0.86 H new ATOM 0 HG2 LYS A 81 16.169 -5.704 6.058 1.00 1.22 H new ATOM 0 HG3 LYS A 81 16.850 -4.100 5.870 1.00 1.22 H new ATOM 0 HD2 LYS A 81 13.921 -4.883 5.324 1.00 1.86 H new ATOM 0 HD3 LYS A 81 14.493 -3.958 6.698 1.00 1.86 H new ATOM 0 HE2 LYS A 81 15.421 -2.282 4.843 1.00 3.86 H new ATOM 0 HE3 LYS A 81 14.265 -3.083 3.798 1.00 3.86 H new ATOM 0 HZ1 LYS A 81 12.785 -1.667 4.717 1.00 5.73 H new ATOM 0 HZ2 LYS A 81 12.814 -2.697 6.067 1.00 5.73 H new ATOM 0 HZ3 LYS A 81 13.786 -1.305 6.040 1.00 5.73 H new ATOM 1300 N LYS A 82 17.799 -7.731 4.527 1.00 0.65 N ATOM 1301 CA LYS A 82 18.119 -8.931 5.330 1.00 0.84 C ATOM 1302 C LYS A 82 19.606 -9.286 5.333 1.00 0.81 C ATOM 1303 O LYS A 82 20.132 -9.814 6.289 1.00 0.88 O ATOM 1304 CB LYS A 82 17.264 -10.027 4.755 1.00 1.03 C ATOM 1305 CG LYS A 82 15.776 -9.704 5.065 1.00 1.29 C ATOM 1306 CD LYS A 82 14.856 -10.657 4.255 1.00 1.70 C ATOM 1307 CE LYS A 82 15.354 -12.110 4.288 1.00 1.23 C ATOM 1308 NZ LYS A 82 15.525 -12.500 5.729 1.00 3.60 N ATOM 0 H LYS A 82 17.074 -7.874 3.824 1.00 0.65 H new ATOM 0 HA LYS A 82 17.904 -8.760 6.385 1.00 0.84 H new ATOM 0 HB2 LYS A 82 17.419 -10.103 3.679 1.00 1.03 H new ATOM 0 HB3 LYS A 82 17.541 -10.989 5.186 1.00 1.03 H new ATOM 0 HG2 LYS A 82 15.584 -9.817 6.132 1.00 1.29 H new ATOM 0 HG3 LYS A 82 15.558 -8.667 4.809 1.00 1.29 H new ATOM 0 HD2 LYS A 82 13.844 -10.612 4.658 1.00 1.70 H new ATOM 0 HD3 LYS A 82 14.803 -10.316 3.221 1.00 1.70 H new ATOM 0 HE2 LYS A 82 14.641 -12.770 3.795 1.00 1.23 H new ATOM 0 HE3 LYS A 82 16.298 -12.203 3.752 1.00 1.23 H new ATOM 0 HZ1 LYS A 82 16.538 -12.564 5.953 1.00 3.60 H new ATOM 0 HZ2 LYS A 82 15.080 -11.784 6.338 1.00 3.60 H new ATOM 0 HZ3 LYS A 82 15.075 -13.423 5.895 1.00 3.60 H new ATOM 1322 N LYS A 83 20.216 -8.970 4.234 1.00 0.89 N ATOM 1323 CA LYS A 83 21.671 -9.223 4.022 1.00 1.01 C ATOM 1324 C LYS A 83 22.584 -8.118 4.587 1.00 1.11 C ATOM 1325 O LYS A 83 23.614 -8.417 5.150 1.00 1.29 O ATOM 1326 CB LYS A 83 21.889 -9.374 2.495 1.00 0.82 C ATOM 1327 CG LYS A 83 21.159 -10.632 2.011 1.00 1.05 C ATOM 1328 CD LYS A 83 21.067 -10.647 0.461 1.00 1.11 C ATOM 1329 CE LYS A 83 20.717 -12.073 0.049 1.00 1.68 C ATOM 1330 NZ LYS A 83 20.861 -12.217 -1.429 1.00 1.20 N ATOM 0 H LYS A 83 19.752 -8.529 3.440 1.00 0.89 H new ATOM 0 HA LYS A 83 21.948 -10.126 4.567 1.00 1.01 H new ATOM 0 HB2 LYS A 83 21.513 -8.495 1.972 1.00 0.82 H new ATOM 0 HB3 LYS A 83 22.953 -9.446 2.272 1.00 0.82 H new ATOM 0 HG2 LYS A 83 21.686 -11.521 2.358 1.00 1.05 H new ATOM 0 HG3 LYS A 83 20.158 -10.666 2.441 1.00 1.05 H new ATOM 0 HD2 LYS A 83 20.307 -9.947 0.113 1.00 1.11 H new ATOM 0 HD3 LYS A 83 22.013 -10.338 0.016 1.00 1.11 H new ATOM 0 HE2 LYS A 83 21.371 -12.780 0.559 1.00 1.68 H new ATOM 0 HE3 LYS A 83 19.696 -12.309 0.350 1.00 1.68 H new ATOM 0 HZ1 LYS A 83 19.921 -12.188 -1.874 1.00 1.20 H new ATOM 0 HZ2 LYS A 83 21.443 -11.439 -1.799 1.00 1.20 H new ATOM 0 HZ3 LYS A 83 21.319 -13.125 -1.646 1.00 1.20 H new ATOM 1344 N TYR A 84 22.199 -6.885 4.434 1.00 1.02 N ATOM 1345 CA TYR A 84 23.011 -5.734 4.931 1.00 1.16 C ATOM 1346 C TYR A 84 22.671 -5.074 6.284 1.00 1.61 C ATOM 1347 O TYR A 84 23.553 -4.430 6.820 1.00 2.86 O ATOM 1348 CB TYR A 84 22.979 -4.767 3.719 1.00 0.81 C ATOM 1349 CG TYR A 84 23.621 -5.535 2.529 1.00 0.62 C ATOM 1350 CD1 TYR A 84 24.877 -6.110 2.684 1.00 2.49 C ATOM 1351 CD2 TYR A 84 22.977 -5.687 1.306 1.00 2.36 C ATOM 1352 CE1 TYR A 84 25.467 -6.809 1.662 1.00 2.72 C ATOM 1353 CE2 TYR A 84 23.587 -6.394 0.293 1.00 2.10 C ATOM 1354 CZ TYR A 84 24.820 -6.948 0.471 1.00 0.77 C ATOM 1355 OH TYR A 84 25.422 -7.641 -0.549 1.00 1.00 O ATOM 0 H TYR A 84 21.330 -6.616 3.972 1.00 1.02 H new ATOM 0 HA TYR A 84 23.998 -6.087 5.230 1.00 1.16 H new ATOM 0 HB2 TYR A 84 21.956 -4.472 3.484 1.00 0.81 H new ATOM 0 HB3 TYR A 84 23.533 -3.854 3.936 1.00 0.81 H new ATOM 0 HD1 TYR A 84 25.397 -6.005 3.625 1.00 2.49 H new ATOM 0 HD2 TYR A 84 22.001 -5.252 1.151 1.00 2.36 H new ATOM 0 HE1 TYR A 84 26.444 -7.249 1.801 1.00 2.72 H new ATOM 0 HE2 TYR A 84 23.082 -6.511 -0.654 1.00 2.10 H new ATOM 0 HH TYR A 84 24.757 -7.853 -1.237 1.00 1.00 H new ATOM 1365 N GLY A 85 21.477 -5.207 6.806 1.00 1.07 N ATOM 1366 CA GLY A 85 21.183 -4.572 8.140 1.00 1.30 C ATOM 1367 C GLY A 85 20.374 -3.311 8.304 1.00 1.31 C ATOM 1368 O GLY A 85 20.677 -2.597 9.239 1.00 1.98 O ATOM 0 H GLY A 85 20.703 -5.716 6.381 1.00 1.07 H new ATOM 0 HA2 GLY A 85 20.686 -5.335 8.739 1.00 1.30 H new ATOM 0 HA3 GLY A 85 22.149 -4.379 8.607 1.00 1.30 H new ATOM 1372 N ILE A 86 19.408 -3.024 7.468 1.00 0.89 N ATOM 1373 CA ILE A 86 18.633 -1.763 7.689 1.00 1.31 C ATOM 1374 C ILE A 86 17.134 -2.073 7.936 1.00 2.04 C ATOM 1375 O ILE A 86 16.875 -2.295 9.105 1.00 1.47 O ATOM 1376 CB ILE A 86 18.914 -0.862 6.431 1.00 0.71 C ATOM 1377 CG1 ILE A 86 18.164 0.478 6.672 1.00 0.85 C ATOM 1378 CG2 ILE A 86 18.455 -1.499 5.092 1.00 0.97 C ATOM 1379 CD1 ILE A 86 18.407 1.498 5.530 1.00 0.73 C ATOM 1380 OXT ILE A 86 16.328 -2.089 7.022 1.00 3.79 O ATOM 0 H ILE A 86 19.127 -3.588 6.666 1.00 0.89 H new ATOM 0 HA ILE A 86 18.941 -1.228 8.587 1.00 1.31 H new ATOM 0 HB ILE A 86 19.990 -0.726 6.327 1.00 0.71 H new ATOM 0 HG12 ILE A 86 17.095 0.283 6.762 1.00 0.85 H new ATOM 0 HG13 ILE A 86 18.490 0.910 7.618 1.00 0.85 H new ATOM 0 HG21 ILE A 86 18.681 -0.820 4.270 1.00 0.97 H new ATOM 0 HG22 ILE A 86 18.980 -2.442 4.939 1.00 0.97 H new ATOM 0 HG23 ILE A 86 17.381 -1.683 5.126 1.00 0.97 H new ATOM 0 HD11 ILE A 86 17.863 2.418 5.742 1.00 0.73 H new ATOM 0 HD12 ILE A 86 19.473 1.715 5.457 1.00 0.73 H new ATOM 0 HD13 ILE A 86 18.056 1.079 4.587 1.00 0.73 H new TER 1392 ILE A 86 HETATM 1393 N1A COA A 87 16.734 2.024 -6.672 1.00 0.43 N HETATM 1394 C2A COA A 87 17.471 1.954 -7.782 1.00 0.24 C HETATM 1395 N3A COA A 87 18.125 2.948 -8.373 1.00 0.21 N HETATM 1396 C4A COA A 87 17.983 4.130 -7.710 1.00 0.30 C HETATM 1397 C5A COA A 87 17.268 4.355 -6.569 1.00 0.38 C HETATM 1398 C6A COA A 87 16.623 3.218 -6.050 1.00 0.47 C HETATM 1399 N6A COA A 87 15.909 3.253 -4.949 1.00 0.69 N HETATM 1400 N7A COA A 87 17.368 5.688 -6.174 1.00 0.51 N HETATM 1401 C8A COA A 87 18.139 6.206 -7.097 1.00 0.54 C HETATM 1402 N9A COA A 87 18.538 5.313 -8.048 1.00 0.49 N HETATM 1403 C1B COA A 87 19.404 5.482 -9.199 1.00 0.69 C HETATM 1404 C2B COA A 87 19.679 6.908 -9.639 1.00 0.71 C HETATM 1405 O2B COA A 87 18.896 7.270 -10.782 1.00 1.18 O HETATM 1406 C3B COA A 87 21.124 6.778 -10.058 1.00 0.63 C HETATM 1407 O3B COA A 87 21.185 6.299 -11.408 1.00 1.08 O HETATM 1408 P3B COA A 87 22.530 5.755 -12.050 1.00 1.30 P HETATM 1409 O7A COA A 87 22.197 5.805 -13.487 1.00 2.00 O HETATM 1410 O8A COA A 87 22.630 4.340 -11.613 1.00 2.11 O HETATM 1411 O9A COA A 87 23.606 6.646 -11.583 1.00 2.39 O HETATM 1412 C4B COA A 87 21.679 5.730 -9.097 1.00 0.68 C HETATM 1413 O4B COA A 87 20.607 4.880 -8.737 1.00 0.86 O HETATM 1414 C5B COA A 87 22.286 6.391 -7.861 1.00 1.09 C HETATM 1415 O5B COA A 87 21.352 7.159 -7.096 1.00 1.12 O HETATM 1416 P1A COA A 87 21.212 8.757 -7.095 1.00 0.75 P HETATM 1417 O1A COA A 87 20.188 9.021 -6.056 1.00 0.88 O HETATM 1418 O2A COA A 87 20.969 9.270 -8.448 1.00 1.69 O HETATM 1419 O3A COA A 87 22.613 9.284 -6.717 1.00 1.18 O HETATM 1420 P2A COA A 87 22.812 9.750 -5.274 1.00 1.24 P HETATM 1421 O4A COA A 87 24.223 10.172 -5.141 1.00 2.02 O HETATM 1422 O5A COA A 87 21.747 10.702 -4.882 1.00 1.66 O HETATM 1423 O6A COA A 87 22.602 8.450 -4.309 1.00 1.29 O HETATM 1424 CBP COA A 87 24.332 6.615 -4.326 1.00 1.60 C HETATM 1425 CCP COA A 87 23.726 7.847 -3.601 1.00 1.65 C HETATM 1426 CDP COA A 87 24.684 7.016 -5.784 1.00 1.58 C HETATM 1427 CEP COA A 87 23.261 5.503 -4.329 1.00 1.54 C HETATM 1428 CAP COA A 87 25.667 6.139 -3.662 1.00 1.85 C HETATM 1429 OAP COA A 87 25.999 4.970 -4.430 1.00 3.72 O HETATM 1430 C9P COA A 87 25.612 5.789 -2.161 1.00 2.00 C HETATM 1431 O9P COA A 87 25.823 6.592 -1.270 1.00 2.16 O HETATM 1432 N8P COA A 87 25.304 4.541 -1.964 1.00 1.95 N HETATM 1433 C7P COA A 87 25.200 3.958 -0.598 1.00 2.03 C HETATM 1434 C6P COA A 87 26.669 3.895 -0.075 1.00 2.19 C HETATM 1435 C5P COA A 87 27.672 3.176 -0.988 1.00 2.34 C HETATM 1436 O5P COA A 87 28.524 2.474 -0.481 1.00 2.57 O HETATM 1437 N4P COA A 87 27.610 3.375 -2.282 1.00 2.24 N HETATM 1438 C3P COA A 87 28.540 2.710 -3.241 1.00 2.45 C HETATM 1439 C2P COA A 87 27.966 2.922 -4.656 1.00 2.22 C HETATM 1440 S1P COA A 87 26.348 2.253 -5.154 1.00 1.38 S HETATM 0 HO2A COA A 87 19.418 7.117 -11.597 1.00 1.18 H new HETATM 0 H62A COA A 87 15.795 4.131 -4.443 1.00 0.69 H new HETATM 0 H61A COA A 87 15.468 2.402 -4.600 1.00 0.69 H new HETATM 0 H52A COA A 87 22.716 5.619 -7.223 1.00 1.09 H new HETATM 0 H51A COA A 87 23.105 7.039 -8.173 1.00 1.09 H new HETATM 0 H143 COA A 87 22.998 5.248 -3.302 1.00 1.54 H new HETATM 0 H142 COA A 87 22.373 5.854 -4.855 1.00 1.54 H new HETATM 0 H141 COA A 87 23.655 4.620 -4.832 1.00 1.54 H new HETATM 0 H133 COA A 87 23.781 7.341 -6.300 1.00 1.58 H new HETATM 0 H132 COA A 87 25.408 7.831 -5.773 1.00 1.58 H new HETATM 0 H131 COA A 87 25.111 6.159 -6.304 1.00 1.58 H new HETATM 0 H122 COA A 87 24.505 8.598 -3.467 1.00 1.65 H new HETATM 0 H121 COA A 87 23.398 7.547 -2.606 1.00 1.65 H new HETATM 0 HO1 COA A 87 26.514 5.234 -5.221 1.00 3.72 H new HETATM 0 HN8 COA A 87 25.128 3.943 -2.771 1.00 1.95 H new HETATM 0 HN4 COA A 87 26.899 4.009 -2.647 1.00 2.24 H new HETATM 0 H8A COA A 87 18.435 7.255 -7.105 1.00 0.54 H new HETATM 0 H72 COA A 87 24.577 4.576 0.049 1.00 2.03 H new HETATM 0 H71 COA A 87 24.747 2.967 -0.625 1.00 2.03 H new HETATM 0 H62 COA A 87 27.021 4.914 0.089 1.00 2.19 H new HETATM 0 H61 COA A 87 26.668 3.398 0.895 1.00 2.19 H new HETATM 0 H4B COA A 87 22.476 5.160 -9.575 1.00 0.68 H new HETATM 0 H3B COA A 87 21.677 7.717 -10.023 1.00 0.63 H new HETATM 0 H32 COA A 87 29.541 3.136 -3.164 1.00 2.45 H new HETATM 0 H31 COA A 87 28.628 1.647 -3.017 1.00 2.45 H new HETATM 0 H2B COA A 87 19.457 7.656 -8.878 1.00 0.71 H new HETATM 0 H2A COA A 87 17.545 0.975 -8.255 1.00 0.24 H new HETATM 0 H22 COA A 87 27.924 3.999 -4.820 1.00 2.22 H new HETATM 0 H21 COA A 87 28.700 2.522 -5.356 1.00 2.22 H new HETATM 0 H1B COA A 87 18.943 5.053 -10.088 1.00 0.69 H new HETATM 0 H10 COA A 87 26.393 6.952 -3.678 1.00 1.85 H new HETATM 1472 C1 PLM A 88 25.832 1.279 -3.715 1.00 1.93 C HETATM 1473 O2 PLM A 88 26.513 0.396 -3.228 1.00 3.93 O HETATM 1474 C2 PLM A 88 24.454 1.651 -3.134 1.00 1.24 C HETATM 1475 C3 PLM A 88 23.374 0.534 -3.310 1.00 1.52 C HETATM 1476 C4 PLM A 88 22.570 0.713 -4.692 1.00 0.83 C HETATM 1477 C5 PLM A 88 21.799 -0.550 -5.116 1.00 1.82 C HETATM 1478 C6 PLM A 88 21.469 -0.547 -6.652 1.00 1.11 C HETATM 1479 C7 PLM A 88 20.589 0.643 -7.186 1.00 0.60 C HETATM 1480 C8 PLM A 88 21.297 2.038 -7.207 1.00 2.09 C HETATM 1481 C9 PLM A 88 22.673 2.003 -7.922 1.00 0.90 C HETATM 1482 CA PLM A 88 22.553 1.735 -9.432 1.00 1.17 C HETATM 1483 CB PLM A 88 24.002 1.588 -9.976 1.00 1.08 C HETATM 1484 CC PLM A 88 24.510 0.122 -9.787 1.00 1.21 C HETATM 1485 CD PLM A 88 23.977 -0.616 -11.009 1.00 0.34 C HETATM 1486 CE PLM A 88 24.303 -2.092 -10.992 1.00 0.48 C HETATM 1487 CF PLM A 88 25.839 -2.315 -11.070 1.00 0.84 C HETATM 1488 CG PLM A 88 26.127 -3.579 -11.863 1.00 0.81 C HETATM 0 HG3 PLM A 88 25.661 -4.432 -11.370 1.00 0.81 H new HETATM 0 HG2 PLM A 88 25.723 -3.477 -12.870 1.00 0.81 H new HETATM 0 HG1 PLM A 88 27.204 -3.736 -11.918 1.00 0.81 H new HETATM 0 HF2 PLM A 88 26.318 -1.458 -11.544 1.00 0.84 H new HETATM 0 HF1 PLM A 88 26.257 -2.399 -10.067 1.00 0.84 H new HETATM 0 HE2 PLM A 88 23.910 -2.546 -10.082 1.00 0.48 H new HETATM 0 HE1 PLM A 88 23.815 -2.587 -11.832 1.00 0.48 H new HETATM 0 HD2 PLM A 88 22.896 -0.488 -11.062 1.00 0.34 H new HETATM 0 HD1 PLM A 88 24.395 -0.167 -11.910 1.00 0.34 H new HETATM 0 HC2 PLM A 88 25.598 0.080 -9.739 1.00 1.21 H new HETATM 0 HC1 PLM A 88 24.133 -0.314 -8.862 1.00 1.21 H new HETATM 0 HB2 PLM A 88 24.029 1.856 -11.032 1.00 1.08 H new HETATM 0 HB1 PLM A 88 24.665 2.279 -9.455 1.00 1.08 H new HETATM 0 HA2 PLM A 88 21.975 0.830 -9.620 1.00 1.17 H new HETATM 0 HA1 PLM A 88 22.034 2.554 -9.930 1.00 1.17 H new HETATM 0 H92 PLM A 88 23.183 2.954 -7.766 1.00 0.90 H new HETATM 0 H91 PLM A 88 23.294 1.230 -7.469 1.00 0.90 H new HETATM 0 H82 PLM A 88 20.651 2.760 -7.706 1.00 2.09 H new HETATM 0 H81 PLM A 88 21.433 2.387 -6.183 1.00 2.09 H new HETATM 0 H72 PLM A 88 20.260 0.405 -8.198 1.00 0.60 H new HETATM 0 H71 PLM A 88 19.694 0.717 -6.569 1.00 0.60 H new HETATM 0 H62 PLM A 88 22.410 -0.547 -7.202 1.00 1.11 H new HETATM 0 H61 PLM A 88 20.960 -1.480 -6.892 1.00 1.11 H new HETATM 0 H52 PLM A 88 22.389 -1.434 -4.873 1.00 1.82 H new HETATM 0 H51 PLM A 88 20.873 -0.618 -4.546 1.00 1.82 H new HETATM 0 H42 PLM A 88 21.869 1.542 -4.592 1.00 0.83 H new HETATM 0 H41 PLM A 88 23.272 0.983 -5.480 1.00 0.83 H new HETATM 0 H32 PLM A 88 23.853 -0.445 -3.289 1.00 1.52 H new HETATM 0 H31 PLM A 88 22.676 0.565 -2.474 1.00 1.52 H new HETATM 0 H22 PLM A 88 24.565 1.872 -2.072 1.00 1.24 H new HETATM 0 H21 PLM A 88 24.101 2.564 -3.615 1.00 1.24 H new