USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 798 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 Single : A 9 LYS NZ :NH3+ -161:sc= -0.177 (180deg=-0.681) USER MOD Single : A 18 MET CE :methyl 156:sc= -0.336 (180deg=-2.02) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -1.98! USER MOD Single : A 42 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.13) USER MOD Single : A 46 LYS NZ :NH3+ -139:sc= 0.117 (180deg=-0.219) USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= 2.42 (180deg=2.38) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.108) USER MOD Single : B 18 MET CE :methyl 152:sc= -0.635 (180deg=-1.91!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 175:sc= 1.21 (180deg=1.2) USER MOD Single : B 46 LYS NZ :NH3+ -132:sc= 1.21 (180deg=-0.552) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N ILE A 4 -1.661 -10.748 -4.235 1.00 0.31 N ATOM 54 CA ILE A 4 -1.597 -11.008 -2.812 1.00 0.29 C ATOM 55 C ILE A 4 -2.994 -11.333 -2.307 1.00 0.30 C ATOM 56 O ILE A 4 -3.182 -12.194 -1.449 1.00 0.36 O ATOM 57 CB ILE A 4 -1.044 -9.789 -2.043 1.00 0.27 C ATOM 58 CG1 ILE A 4 -0.162 -8.934 -2.959 1.00 0.30 C ATOM 59 CG2 ILE A 4 -0.247 -10.254 -0.833 1.00 0.32 C ATOM 60 CD1 ILE A 4 0.453 -7.733 -2.269 1.00 0.27 C ATOM 0 HA ILE A 4 -0.924 -11.849 -2.642 1.00 0.29 H new ATOM 0 HB ILE A 4 -1.882 -9.181 -1.703 1.00 0.27 H new ATOM 0 HG12 ILE A 4 0.636 -9.557 -3.364 1.00 0.30 H new ATOM 0 HG13 ILE A 4 -0.758 -8.590 -3.804 1.00 0.30 H new ATOM 0 HG21 ILE A 4 0.139 -9.387 -0.297 1.00 0.32 H new ATOM 0 HG22 ILE A 4 -0.893 -10.832 -0.172 1.00 0.32 H new ATOM 0 HG23 ILE A 4 0.585 -10.877 -1.163 1.00 0.32 H new ATOM 0 HD11 ILE A 4 1.063 -7.177 -2.981 1.00 0.27 H new ATOM 0 HD12 ILE A 4 -0.338 -7.088 -1.888 1.00 0.27 H new ATOM 0 HD13 ILE A 4 1.077 -8.069 -1.441 1.00 0.27 H new ATOM 72 N GLY A 5 -3.967 -10.623 -2.874 1.00 0.32 N ATOM 73 CA GLY A 5 -5.367 -10.880 -2.586 1.00 0.35 C ATOM 74 C GLY A 5 -5.710 -10.700 -1.141 1.00 0.31 C ATOM 75 O GLY A 5 -6.519 -11.440 -0.579 1.00 0.42 O ATOM 0 H GLY A 5 -3.806 -9.864 -3.537 1.00 0.32 H new ATOM 0 HA2 GLY A 5 -5.984 -10.211 -3.186 1.00 0.35 H new ATOM 0 HA3 GLY A 5 -5.613 -11.898 -2.888 1.00 0.35 H new ATOM 79 N VAL A 6 -5.092 -9.717 -0.542 1.00 0.22 N ATOM 80 CA VAL A 6 -5.345 -9.406 0.842 1.00 0.21 C ATOM 81 C VAL A 6 -5.931 -8.016 0.960 1.00 0.20 C ATOM 82 O VAL A 6 -5.441 -7.057 0.352 1.00 0.24 O ATOM 83 CB VAL A 6 -4.077 -9.534 1.710 1.00 0.21 C ATOM 84 CG1 VAL A 6 -3.805 -10.992 2.049 1.00 0.27 C ATOM 85 CG2 VAL A 6 -2.884 -8.933 0.996 1.00 0.19 C ATOM 0 H VAL A 6 -4.405 -9.113 -0.994 1.00 0.22 H new ATOM 0 HA VAL A 6 -6.063 -10.135 1.218 1.00 0.21 H new ATOM 0 HB VAL A 6 -4.242 -8.987 2.638 1.00 0.21 H new ATOM 0 HG11 VAL A 6 -2.906 -11.062 2.662 1.00 0.27 H new ATOM 0 HG12 VAL A 6 -4.652 -11.402 2.599 1.00 0.27 H new ATOM 0 HG13 VAL A 6 -3.661 -11.559 1.129 1.00 0.27 H new ATOM 0 HG21 VAL A 6 -1.997 -9.032 1.622 1.00 0.19 H new ATOM 0 HG22 VAL A 6 -2.722 -9.456 0.054 1.00 0.19 H new ATOM 0 HG23 VAL A 6 -3.072 -7.878 0.798 1.00 0.19 H new ATOM 95 N VAL A 7 -6.988 -7.936 1.745 1.00 0.17 N ATOM 96 CA VAL A 7 -7.704 -6.700 1.941 1.00 0.16 C ATOM 97 C VAL A 7 -7.676 -6.308 3.409 1.00 0.19 C ATOM 98 O VAL A 7 -8.054 -7.083 4.287 1.00 0.29 O ATOM 99 CB VAL A 7 -9.160 -6.777 1.417 1.00 0.17 C ATOM 100 CG1 VAL A 7 -9.874 -8.015 1.943 1.00 0.22 C ATOM 101 CG2 VAL A 7 -9.925 -5.517 1.795 1.00 0.16 C ATOM 0 H VAL A 7 -7.371 -8.728 2.262 1.00 0.17 H new ATOM 0 HA VAL A 7 -7.200 -5.930 1.357 1.00 0.16 H new ATOM 0 HB VAL A 7 -9.123 -6.853 0.330 1.00 0.17 H new ATOM 0 HG11 VAL A 7 -10.893 -8.039 1.557 1.00 0.22 H new ATOM 0 HG12 VAL A 7 -9.341 -8.908 1.617 1.00 0.22 H new ATOM 0 HG13 VAL A 7 -9.899 -7.985 3.032 1.00 0.22 H new ATOM 0 HG21 VAL A 7 -10.946 -5.585 1.420 1.00 0.16 H new ATOM 0 HG22 VAL A 7 -9.943 -5.414 2.880 1.00 0.16 H new ATOM 0 HG23 VAL A 7 -9.435 -4.648 1.356 1.00 0.16 H new ATOM 111 N ARG A 8 -7.256 -5.086 3.662 1.00 0.15 N ATOM 112 CA ARG A 8 -6.980 -4.635 5.006 1.00 0.16 C ATOM 113 C ARG A 8 -7.981 -3.588 5.403 1.00 0.15 C ATOM 114 O ARG A 8 -8.536 -2.904 4.546 1.00 0.16 O ATOM 115 CB ARG A 8 -5.573 -4.050 5.106 1.00 0.16 C ATOM 116 CG ARG A 8 -4.551 -4.976 5.751 1.00 0.25 C ATOM 117 CD ARG A 8 -4.494 -6.348 5.086 1.00 0.34 C ATOM 118 NE ARG A 8 -3.199 -6.993 5.308 1.00 0.81 N ATOM 119 CZ ARG A 8 -3.028 -8.259 5.692 1.00 0.85 C ATOM 120 NH1 ARG A 8 -4.069 -9.050 5.926 1.00 0.79 N ATOM 121 NH2 ARG A 8 -1.797 -8.730 5.853 1.00 1.43 N ATOM 0 H ARG A 8 -7.097 -4.381 2.943 1.00 0.15 H new ATOM 0 HA ARG A 8 -7.051 -5.492 5.676 1.00 0.16 H new ATOM 0 HB2 ARG A 8 -5.229 -3.790 4.105 1.00 0.16 H new ATOM 0 HB3 ARG A 8 -5.618 -3.123 5.678 1.00 0.16 H new ATOM 0 HG2 ARG A 8 -3.566 -4.512 5.702 1.00 0.25 H new ATOM 0 HG3 ARG A 8 -4.794 -5.099 6.807 1.00 0.25 H new ATOM 0 HD2 ARG A 8 -5.290 -6.979 5.481 1.00 0.34 H new ATOM 0 HD3 ARG A 8 -4.672 -6.243 4.016 1.00 0.34 H new ATOM 0 HE ARG A 8 -2.362 -6.430 5.157 1.00 0.81 H new ATOM 0 HH11 ARG A 8 -5.017 -8.692 5.813 1.00 0.79 H new ATOM 0 HH12 ARG A 8 -3.920 -10.016 6.219 1.00 0.79 H new ATOM 0 HH21 ARG A 8 -0.993 -8.125 5.683 1.00 1.43 H new ATOM 0 HH22 ARG A 8 -1.655 -9.697 6.146 1.00 1.43 H new ATOM 135 N LYS A 9 -8.249 -3.507 6.687 1.00 0.17 N ATOM 136 CA LYS A 9 -9.082 -2.451 7.210 1.00 0.18 C ATOM 137 C LYS A 9 -8.213 -1.485 8.004 1.00 0.20 C ATOM 138 O LYS A 9 -7.482 -1.895 8.910 1.00 0.24 O ATOM 139 CB LYS A 9 -10.213 -3.038 8.065 1.00 0.20 C ATOM 140 CG LYS A 9 -10.917 -4.228 7.412 1.00 0.21 C ATOM 141 CD LYS A 9 -11.363 -3.926 5.983 1.00 0.23 C ATOM 142 CE LYS A 9 -11.870 -5.172 5.271 1.00 0.67 C ATOM 143 NZ LYS A 9 -10.920 -6.313 5.392 1.00 1.22 N ATOM 0 H LYS A 9 -7.901 -4.161 7.388 1.00 0.17 H new ATOM 0 HA LYS A 9 -9.551 -1.903 6.393 1.00 0.18 H new ATOM 0 HB2 LYS A 9 -9.806 -3.350 9.027 1.00 0.20 H new ATOM 0 HB3 LYS A 9 -10.947 -2.258 8.267 1.00 0.20 H new ATOM 0 HG2 LYS A 9 -10.245 -5.086 7.407 1.00 0.21 H new ATOM 0 HG3 LYS A 9 -11.785 -4.506 8.010 1.00 0.21 H new ATOM 0 HD2 LYS A 9 -12.150 -3.172 6.000 1.00 0.23 H new ATOM 0 HD3 LYS A 9 -10.528 -3.503 5.424 1.00 0.23 H new ATOM 0 HE2 LYS A 9 -12.836 -5.459 5.687 1.00 0.67 H new ATOM 0 HE3 LYS A 9 -12.032 -4.946 4.217 1.00 0.67 H new ATOM 0 HZ1 LYS A 9 -11.126 -7.016 4.654 1.00 1.22 H new ATOM 0 HZ2 LYS A 9 -9.946 -5.967 5.279 1.00 1.22 H new ATOM 0 HZ3 LYS A 9 -11.024 -6.754 6.328 1.00 1.22 H new ATOM 157 N VAL A 10 -8.270 -0.217 7.617 1.00 0.19 N ATOM 158 CA VAL A 10 -7.434 0.832 8.195 1.00 0.19 C ATOM 159 C VAL A 10 -7.594 0.919 9.712 1.00 0.20 C ATOM 160 O VAL A 10 -8.659 0.626 10.248 1.00 0.22 O ATOM 161 CB VAL A 10 -7.768 2.199 7.544 1.00 0.21 C ATOM 162 CG1 VAL A 10 -7.259 3.360 8.374 1.00 0.26 C ATOM 163 CG2 VAL A 10 -7.196 2.273 6.139 1.00 0.24 C ATOM 0 H VAL A 10 -8.901 0.117 6.888 1.00 0.19 H new ATOM 0 HA VAL A 10 -6.395 0.575 7.989 1.00 0.19 H new ATOM 0 HB VAL A 10 -8.854 2.277 7.494 1.00 0.21 H new ATOM 0 HG11 VAL A 10 -7.514 4.299 7.882 1.00 0.26 H new ATOM 0 HG12 VAL A 10 -7.720 3.331 9.361 1.00 0.26 H new ATOM 0 HG13 VAL A 10 -6.176 3.287 8.477 1.00 0.26 H new ATOM 0 HG21 VAL A 10 -7.440 3.239 5.697 1.00 0.24 H new ATOM 0 HG22 VAL A 10 -6.113 2.156 6.180 1.00 0.24 H new ATOM 0 HG23 VAL A 10 -7.624 1.477 5.530 1.00 0.24 H new ATOM 173 N ASP A 11 -6.506 1.281 10.394 1.00 0.21 N ATOM 174 CA ASP A 11 -6.544 1.574 11.823 1.00 0.24 C ATOM 175 C ASP A 11 -7.582 2.666 12.105 1.00 0.25 C ATOM 176 O ASP A 11 -8.724 2.372 12.454 1.00 0.33 O ATOM 177 CB ASP A 11 -5.142 2.008 12.285 1.00 0.30 C ATOM 178 CG ASP A 11 -5.113 2.609 13.678 1.00 1.07 C ATOM 179 OD1 ASP A 11 -5.132 1.846 14.665 1.00 1.75 O ATOM 180 OD2 ASP A 11 -5.031 3.851 13.782 1.00 1.88 O ATOM 0 H ASP A 11 -5.582 1.378 9.973 1.00 0.21 H new ATOM 0 HA ASP A 11 -6.836 0.683 12.379 1.00 0.24 H new ATOM 0 HB2 ASP A 11 -4.478 1.144 12.259 1.00 0.30 H new ATOM 0 HB3 ASP A 11 -4.746 2.736 11.577 1.00 0.30 H new ATOM 185 N GLU A 12 -7.165 3.920 11.941 1.00 0.26 N ATOM 186 CA GLU A 12 -8.057 5.079 12.007 1.00 0.27 C ATOM 187 C GLU A 12 -7.463 6.200 11.164 1.00 0.26 C ATOM 188 O GLU A 12 -8.168 6.918 10.460 1.00 0.30 O ATOM 189 CB GLU A 12 -8.243 5.585 13.450 1.00 0.33 C ATOM 190 CG GLU A 12 -8.633 4.509 14.450 1.00 0.47 C ATOM 191 CD GLU A 12 -9.187 5.067 15.741 1.00 0.91 C ATOM 192 OE1 GLU A 12 -8.535 5.936 16.353 1.00 1.69 O ATOM 193 OE2 GLU A 12 -10.283 4.633 16.153 1.00 1.42 O ATOM 0 H GLU A 12 -6.192 4.164 11.757 1.00 0.26 H new ATOM 0 HA GLU A 12 -9.034 4.776 11.631 1.00 0.27 H new ATOM 0 HB2 GLU A 12 -7.315 6.051 13.781 1.00 0.33 H new ATOM 0 HB3 GLU A 12 -9.008 6.361 13.454 1.00 0.33 H new ATOM 0 HG2 GLU A 12 -9.377 3.853 13.997 1.00 0.47 H new ATOM 0 HG3 GLU A 12 -7.760 3.895 14.672 1.00 0.47 H new ATOM 200 N LEU A 13 -6.144 6.329 11.252 1.00 0.24 N ATOM 201 CA LEU A 13 -5.398 7.347 10.514 1.00 0.26 C ATOM 202 C LEU A 13 -5.282 6.982 9.042 1.00 0.26 C ATOM 203 O LEU A 13 -5.348 7.841 8.165 1.00 0.55 O ATOM 204 CB LEU A 13 -3.992 7.464 11.097 1.00 0.40 C ATOM 205 CG LEU A 13 -3.925 7.586 12.614 1.00 0.38 C ATOM 206 CD1 LEU A 13 -2.559 7.152 13.108 1.00 0.71 C ATOM 207 CD2 LEU A 13 -4.222 9.012 13.048 1.00 0.55 C ATOM 0 H LEU A 13 -5.560 5.732 11.837 1.00 0.24 H new ATOM 0 HA LEU A 13 -5.934 8.292 10.603 1.00 0.26 H new ATOM 0 HB2 LEU A 13 -3.417 6.589 10.793 1.00 0.40 H new ATOM 0 HB3 LEU A 13 -3.505 8.334 10.657 1.00 0.40 H new ATOM 0 HG LEU A 13 -4.680 6.933 13.053 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -2.519 7.242 14.194 1.00 0.71 H new ATOM 0 HD12 LEU A 13 -2.382 6.115 12.823 1.00 0.71 H new ATOM 0 HD13 LEU A 13 -1.793 7.787 12.663 1.00 0.71 H new ATOM 0 HD21 LEU A 13 -4.170 9.080 14.135 1.00 0.55 H new ATOM 0 HD22 LEU A 13 -3.489 9.687 12.606 1.00 0.55 H new ATOM 0 HD23 LEU A 13 -5.221 9.293 12.715 1.00 0.55 H new ATOM 219 N GLY A 14 -5.114 5.695 8.794 1.00 0.21 N ATOM 220 CA GLY A 14 -4.808 5.217 7.462 1.00 0.16 C ATOM 221 C GLY A 14 -3.802 4.086 7.507 1.00 0.12 C ATOM 222 O GLY A 14 -3.440 3.518 6.482 1.00 0.11 O ATOM 0 H GLY A 14 -5.185 4.963 9.501 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -5.722 4.876 6.976 1.00 0.16 H new ATOM 0 HA3 GLY A 14 -4.413 6.036 6.860 1.00 0.16 H new ATOM 226 N ARG A 15 -3.354 3.749 8.712 1.00 0.12 N ATOM 227 CA ARG A 15 -2.357 2.703 8.887 1.00 0.13 C ATOM 228 C ARG A 15 -2.970 1.335 8.626 1.00 0.11 C ATOM 229 O ARG A 15 -4.008 0.999 9.195 1.00 0.13 O ATOM 230 CB ARG A 15 -1.779 2.726 10.308 1.00 0.17 C ATOM 231 CG ARG A 15 -1.362 4.102 10.788 1.00 0.21 C ATOM 232 CD ARG A 15 -0.669 4.043 12.145 1.00 0.28 C ATOM 233 NE ARG A 15 0.518 3.179 12.146 1.00 1.31 N ATOM 234 CZ ARG A 15 1.668 3.493 12.753 1.00 1.71 C ATOM 235 NH1 ARG A 15 1.833 4.699 13.287 1.00 1.58 N ATOM 236 NH2 ARG A 15 2.665 2.616 12.797 1.00 2.72 N ATOM 0 H ARG A 15 -3.666 4.185 9.580 1.00 0.12 H new ATOM 0 HA ARG A 15 -1.556 2.889 8.172 1.00 0.13 H new ATOM 0 HB2 ARG A 15 -2.522 2.323 10.997 1.00 0.17 H new ATOM 0 HB3 ARG A 15 -0.915 2.063 10.347 1.00 0.17 H new ATOM 0 HG2 ARG A 15 -0.692 4.554 10.057 1.00 0.21 H new ATOM 0 HG3 ARG A 15 -2.240 4.745 10.856 1.00 0.21 H new ATOM 0 HD2 ARG A 15 -0.378 5.051 12.442 1.00 0.28 H new ATOM 0 HD3 ARG A 15 -1.375 3.681 12.892 1.00 0.28 H new ATOM 0 HE ARG A 15 0.463 2.287 11.655 1.00 1.31 H new ATOM 0 HH11 ARG A 15 1.082 5.387 13.234 1.00 1.58 H new ATOM 0 HH12 ARG A 15 2.711 4.936 13.749 1.00 1.58 H new ATOM 0 HH21 ARG A 15 2.556 1.698 12.367 1.00 2.72 H new ATOM 0 HH22 ARG A 15 3.540 2.861 13.261 1.00 2.72 H new ATOM 250 N ILE A 16 -2.334 0.559 7.768 1.00 0.10 N ATOM 251 CA ILE A 16 -2.775 -0.798 7.498 1.00 0.10 C ATOM 252 C ILE A 16 -1.562 -1.718 7.555 1.00 0.09 C ATOM 253 O ILE A 16 -0.447 -1.258 7.788 1.00 0.10 O ATOM 254 CB ILE A 16 -3.495 -0.938 6.124 1.00 0.11 C ATOM 255 CG1 ILE A 16 -2.499 -1.207 4.992 1.00 0.12 C ATOM 256 CG2 ILE A 16 -4.314 0.305 5.811 1.00 0.14 C ATOM 257 CD1 ILE A 16 -3.131 -1.241 3.615 1.00 0.16 C ATOM 0 H ILE A 16 -1.507 0.846 7.244 1.00 0.10 H new ATOM 0 HA ILE A 16 -3.508 -1.075 8.256 1.00 0.10 H new ATOM 0 HB ILE A 16 -4.167 -1.793 6.197 1.00 0.11 H new ATOM 0 HG12 ILE A 16 -1.728 -0.437 5.009 1.00 0.12 H new ATOM 0 HG13 ILE A 16 -2.002 -2.159 5.177 1.00 0.12 H new ATOM 0 HG21 ILE A 16 -4.807 0.183 4.847 1.00 0.14 H new ATOM 0 HG22 ILE A 16 -5.066 0.450 6.587 1.00 0.14 H new ATOM 0 HG23 ILE A 16 -3.657 1.174 5.775 1.00 0.14 H new ATOM 0 HD11 ILE A 16 -2.363 -1.436 2.867 1.00 0.16 H new ATOM 0 HD12 ILE A 16 -3.882 -2.030 3.579 1.00 0.16 H new ATOM 0 HD13 ILE A 16 -3.604 -0.281 3.408 1.00 0.16 H new ATOM 269 N VAL A 17 -1.762 -3.002 7.340 1.00 0.09 N ATOM 270 CA VAL A 17 -0.664 -3.946 7.419 1.00 0.10 C ATOM 271 C VAL A 17 -0.341 -4.520 6.047 1.00 0.11 C ATOM 272 O VAL A 17 -1.138 -5.251 5.454 1.00 0.16 O ATOM 273 CB VAL A 17 -0.940 -5.078 8.448 1.00 0.12 C ATOM 274 CG1 VAL A 17 -2.357 -5.612 8.332 1.00 0.16 C ATOM 275 CG2 VAL A 17 0.069 -6.209 8.300 1.00 0.16 C ATOM 0 H VAL A 17 -2.666 -3.414 7.111 1.00 0.09 H new ATOM 0 HA VAL A 17 0.208 -3.397 7.774 1.00 0.10 H new ATOM 0 HB VAL A 17 -0.830 -4.643 9.441 1.00 0.12 H new ATOM 0 HG11 VAL A 17 -2.510 -6.401 9.068 1.00 0.16 H new ATOM 0 HG12 VAL A 17 -3.066 -4.804 8.514 1.00 0.16 H new ATOM 0 HG13 VAL A 17 -2.513 -6.014 7.331 1.00 0.16 H new ATOM 0 HG21 VAL A 17 -0.147 -6.987 9.032 1.00 0.16 H new ATOM 0 HG22 VAL A 17 0.003 -6.627 7.295 1.00 0.16 H new ATOM 0 HG23 VAL A 17 1.075 -5.823 8.467 1.00 0.16 H new ATOM 285 N MET A 18 0.824 -4.154 5.534 1.00 0.09 N ATOM 286 CA MET A 18 1.317 -4.727 4.289 1.00 0.09 C ATOM 287 C MET A 18 1.937 -6.078 4.610 1.00 0.09 C ATOM 288 O MET A 18 2.375 -6.302 5.739 1.00 0.15 O ATOM 289 CB MET A 18 2.356 -3.817 3.625 1.00 0.12 C ATOM 290 CG MET A 18 1.901 -2.375 3.437 1.00 0.17 C ATOM 291 SD MET A 18 1.392 -2.002 1.749 1.00 0.84 S ATOM 292 CE MET A 18 -0.137 -2.911 1.615 1.00 0.61 C ATOM 0 H MET A 18 1.445 -3.465 5.959 1.00 0.09 H new ATOM 0 HA MET A 18 0.489 -4.836 3.588 1.00 0.09 H new ATOM 0 HB2 MET A 18 3.264 -3.823 4.227 1.00 0.12 H new ATOM 0 HB3 MET A 18 2.616 -4.233 2.652 1.00 0.12 H new ATOM 0 HG2 MET A 18 1.070 -2.173 4.113 1.00 0.17 H new ATOM 0 HG3 MET A 18 2.713 -1.705 3.721 1.00 0.17 H new ATOM 0 HE1 MET A 18 -0.760 -2.463 0.841 1.00 0.61 H new ATOM 0 HE2 MET A 18 0.077 -3.947 1.353 1.00 0.61 H new ATOM 0 HE3 MET A 18 -0.664 -2.879 2.569 1.00 0.61 H new ATOM 302 N PRO A 19 1.980 -7.001 3.650 1.00 0.09 N ATOM 303 CA PRO A 19 2.412 -8.353 3.913 1.00 0.11 C ATOM 304 C PRO A 19 3.910 -8.575 3.710 1.00 0.12 C ATOM 305 O PRO A 19 4.626 -7.752 3.109 1.00 0.12 O ATOM 306 CB PRO A 19 1.598 -9.155 2.902 1.00 0.13 C ATOM 307 CG PRO A 19 1.376 -8.232 1.745 1.00 0.14 C ATOM 308 CD PRO A 19 1.627 -6.818 2.240 1.00 0.12 C ATOM 0 HA PRO A 19 2.255 -8.636 4.954 1.00 0.11 H new ATOM 0 HB2 PRO A 19 2.133 -10.052 2.591 1.00 0.13 H new ATOM 0 HB3 PRO A 19 0.651 -9.481 3.331 1.00 0.13 H new ATOM 0 HG2 PRO A 19 2.049 -8.477 0.924 1.00 0.14 H new ATOM 0 HG3 PRO A 19 0.360 -8.331 1.364 1.00 0.14 H new ATOM 0 HD2 PRO A 19 2.432 -6.336 1.685 1.00 0.12 H new ATOM 0 HD3 PRO A 19 0.742 -6.191 2.127 1.00 0.12 H new ATOM 316 N ILE A 20 4.380 -9.701 4.225 1.00 0.16 N ATOM 317 CA ILE A 20 5.750 -10.133 4.021 1.00 0.18 C ATOM 318 C ILE A 20 6.069 -10.189 2.533 1.00 0.17 C ATOM 319 O ILE A 20 7.191 -9.921 2.124 1.00 0.18 O ATOM 320 CB ILE A 20 5.991 -11.519 4.661 1.00 0.24 C ATOM 321 CG1 ILE A 20 7.435 -11.989 4.444 1.00 0.29 C ATOM 322 CG2 ILE A 20 5.001 -12.545 4.118 1.00 0.26 C ATOM 323 CD1 ILE A 20 8.469 -11.146 5.157 1.00 0.32 C ATOM 0 H ILE A 20 3.822 -10.338 4.794 1.00 0.16 H new ATOM 0 HA ILE A 20 6.409 -9.410 4.502 1.00 0.18 H new ATOM 0 HB ILE A 20 5.830 -11.422 5.735 1.00 0.24 H new ATOM 0 HG12 ILE A 20 7.525 -13.021 4.783 1.00 0.29 H new ATOM 0 HG13 ILE A 20 7.651 -11.985 3.376 1.00 0.29 H new ATOM 0 HG21 ILE A 20 5.189 -13.513 4.582 1.00 0.26 H new ATOM 0 HG22 ILE A 20 3.984 -12.225 4.345 1.00 0.26 H new ATOM 0 HG23 ILE A 20 5.122 -12.631 3.038 1.00 0.26 H new ATOM 0 HD11 ILE A 20 9.464 -11.542 4.954 1.00 0.32 H new ATOM 0 HD12 ILE A 20 8.408 -10.118 4.801 1.00 0.32 H new ATOM 0 HD13 ILE A 20 8.281 -11.170 6.230 1.00 0.32 H new ATOM 335 N GLU A 21 5.055 -10.508 1.735 1.00 0.17 N ATOM 336 CA GLU A 21 5.186 -10.574 0.284 1.00 0.18 C ATOM 337 C GLU A 21 5.674 -9.244 -0.257 1.00 0.16 C ATOM 338 O GLU A 21 6.453 -9.195 -1.198 1.00 0.18 O ATOM 339 CB GLU A 21 3.839 -10.897 -0.348 1.00 0.21 C ATOM 340 CG GLU A 21 2.842 -11.478 0.639 1.00 0.20 C ATOM 341 CD GLU A 21 2.405 -12.882 0.277 1.00 0.35 C ATOM 342 OE1 GLU A 21 3.096 -13.838 0.685 1.00 0.96 O ATOM 343 OE2 GLU A 21 1.373 -13.039 -0.411 1.00 1.27 O ATOM 0 H GLU A 21 4.119 -10.728 2.076 1.00 0.17 H new ATOM 0 HA GLU A 21 5.905 -11.356 0.038 1.00 0.18 H new ATOM 0 HB2 GLU A 21 3.422 -9.989 -0.785 1.00 0.21 H new ATOM 0 HB3 GLU A 21 3.987 -11.604 -1.164 1.00 0.21 H new ATOM 0 HG2 GLU A 21 3.286 -11.486 1.634 1.00 0.20 H new ATOM 0 HG3 GLU A 21 1.966 -10.831 0.686 1.00 0.20 H new ATOM 350 N LEU A 22 5.223 -8.169 0.374 1.00 0.14 N ATOM 351 CA LEU A 22 5.609 -6.831 -0.024 1.00 0.15 C ATOM 352 C LEU A 22 7.062 -6.592 0.329 1.00 0.15 C ATOM 353 O LEU A 22 7.835 -6.088 -0.481 1.00 0.16 O ATOM 354 CB LEU A 22 4.705 -5.790 0.652 1.00 0.18 C ATOM 355 CG LEU A 22 5.368 -4.446 0.976 1.00 0.23 C ATOM 356 CD1 LEU A 22 4.442 -3.296 0.620 1.00 0.29 C ATOM 357 CD2 LEU A 22 5.740 -4.382 2.456 1.00 0.32 C ATOM 0 H LEU A 22 4.585 -8.203 1.169 1.00 0.14 H new ATOM 0 HA LEU A 22 5.490 -6.731 -1.103 1.00 0.15 H new ATOM 0 HB2 LEU A 22 3.848 -5.605 0.005 1.00 0.18 H new ATOM 0 HB3 LEU A 22 4.319 -6.217 1.578 1.00 0.18 H new ATOM 0 HG LEU A 22 6.277 -4.358 0.381 1.00 0.23 H new ATOM 0 HD11 LEU A 22 4.929 -2.350 0.857 1.00 0.29 H new ATOM 0 HD12 LEU A 22 4.213 -3.330 -0.445 1.00 0.29 H new ATOM 0 HD13 LEU A 22 3.518 -3.382 1.193 1.00 0.29 H new ATOM 0 HD21 LEU A 22 6.210 -3.422 2.672 1.00 0.32 H new ATOM 0 HD22 LEU A 22 4.841 -4.490 3.062 1.00 0.32 H new ATOM 0 HD23 LEU A 22 6.435 -5.188 2.692 1.00 0.32 H new ATOM 369 N ARG A 23 7.430 -6.964 1.547 1.00 0.17 N ATOM 370 CA ARG A 23 8.815 -6.813 1.987 1.00 0.20 C ATOM 371 C ARG A 23 9.757 -7.604 1.081 1.00 0.21 C ATOM 372 O ARG A 23 10.806 -7.101 0.674 1.00 0.23 O ATOM 373 CB ARG A 23 8.984 -7.269 3.444 1.00 0.26 C ATOM 374 CG ARG A 23 8.103 -6.525 4.436 1.00 0.35 C ATOM 375 CD ARG A 23 8.537 -6.786 5.876 1.00 0.43 C ATOM 376 NE ARG A 23 7.863 -7.936 6.481 1.00 0.58 N ATOM 377 CZ ARG A 23 8.291 -8.545 7.591 1.00 0.42 C ATOM 378 NH1 ARG A 23 9.456 -8.209 8.133 1.00 0.82 N ATOM 379 NH2 ARG A 23 7.570 -9.513 8.139 1.00 0.82 N ATOM 0 H ARG A 23 6.801 -7.367 2.241 1.00 0.17 H new ATOM 0 HA ARG A 23 9.070 -5.755 1.924 1.00 0.20 H new ATOM 0 HB2 ARG A 23 8.764 -8.335 3.507 1.00 0.26 H new ATOM 0 HB3 ARG A 23 10.027 -7.141 3.734 1.00 0.26 H new ATOM 0 HG2 ARG A 23 8.145 -5.455 4.231 1.00 0.35 H new ATOM 0 HG3 ARG A 23 7.066 -6.834 4.306 1.00 0.35 H new ATOM 0 HD2 ARG A 23 9.614 -6.950 5.900 1.00 0.43 H new ATOM 0 HD3 ARG A 23 8.336 -5.898 6.476 1.00 0.43 H new ATOM 0 HE ARG A 23 7.020 -8.292 6.030 1.00 0.58 H new ATOM 0 HH11 ARG A 23 10.029 -7.483 7.702 1.00 0.82 H new ATOM 0 HH12 ARG A 23 9.778 -8.677 8.980 1.00 0.82 H new ATOM 0 HH21 ARG A 23 6.687 -9.794 7.713 1.00 0.82 H new ATOM 0 HH22 ARG A 23 7.899 -9.976 8.986 1.00 0.82 H new ATOM 393 N ARG A 24 9.365 -8.838 0.792 1.00 0.21 N ATOM 394 CA ARG A 24 10.111 -9.728 -0.101 1.00 0.24 C ATOM 395 C ARG A 24 10.210 -9.153 -1.508 1.00 0.23 C ATOM 396 O ARG A 24 11.304 -9.045 -2.064 1.00 0.25 O ATOM 397 CB ARG A 24 9.412 -11.087 -0.156 1.00 0.25 C ATOM 398 CG ARG A 24 9.333 -11.788 1.189 1.00 0.29 C ATOM 399 CD ARG A 24 8.294 -12.904 1.183 1.00 0.33 C ATOM 400 NE ARG A 24 8.549 -13.911 0.155 1.00 0.45 N ATOM 401 CZ ARG A 24 7.589 -14.569 -0.497 1.00 0.70 C ATOM 402 NH1 ARG A 24 6.310 -14.348 -0.209 1.00 0.87 N ATOM 403 NH2 ARG A 24 7.907 -15.457 -1.427 1.00 0.86 N ATOM 0 H ARG A 24 8.515 -9.256 1.171 1.00 0.21 H new ATOM 0 HA ARG A 24 11.122 -9.836 0.292 1.00 0.24 H new ATOM 0 HB2 ARG A 24 8.403 -10.951 -0.545 1.00 0.25 H new ATOM 0 HB3 ARG A 24 9.941 -11.729 -0.860 1.00 0.25 H new ATOM 0 HG2 ARG A 24 10.309 -12.201 1.442 1.00 0.29 H new ATOM 0 HG3 ARG A 24 9.084 -11.063 1.963 1.00 0.29 H new ATOM 0 HD2 ARG A 24 8.279 -13.385 2.161 1.00 0.33 H new ATOM 0 HD3 ARG A 24 7.305 -12.473 1.025 1.00 0.33 H new ATOM 0 HE ARG A 24 9.519 -14.123 -0.078 1.00 0.45 H new ATOM 0 HH11 ARG A 24 6.059 -13.673 0.513 1.00 0.87 H new ATOM 0 HH12 ARG A 24 5.580 -14.854 -0.710 1.00 0.87 H new ATOM 0 HH21 ARG A 24 8.887 -15.638 -1.645 1.00 0.86 H new ATOM 0 HH22 ARG A 24 7.172 -15.960 -1.925 1.00 0.86 H new ATOM 417 N ALA A 25 9.062 -8.797 -2.081 1.00 0.21 N ATOM 418 CA ALA A 25 9.004 -8.206 -3.414 1.00 0.23 C ATOM 419 C ALA A 25 9.916 -6.999 -3.519 1.00 0.24 C ATOM 420 O ALA A 25 10.625 -6.813 -4.509 1.00 0.27 O ATOM 421 CB ALA A 25 7.577 -7.796 -3.738 1.00 0.23 C ATOM 0 H ALA A 25 8.151 -8.910 -1.636 1.00 0.21 H new ATOM 0 HA ALA A 25 9.342 -8.955 -4.130 1.00 0.23 H new ATOM 0 HB1 ALA A 25 7.542 -7.356 -4.735 1.00 0.23 H new ATOM 0 HB2 ALA A 25 6.930 -8.673 -3.706 1.00 0.23 H new ATOM 0 HB3 ALA A 25 7.233 -7.065 -3.006 1.00 0.23 H new ATOM 427 N LEU A 26 9.891 -6.193 -2.479 1.00 0.24 N ATOM 428 CA LEU A 26 10.638 -4.958 -2.450 1.00 0.27 C ATOM 429 C LEU A 26 12.052 -5.159 -1.912 1.00 0.29 C ATOM 430 O LEU A 26 12.940 -5.630 -2.626 1.00 0.37 O ATOM 431 CB LEU A 26 9.880 -3.936 -1.601 1.00 0.24 C ATOM 432 CG LEU A 26 8.533 -3.495 -2.181 1.00 0.25 C ATOM 433 CD1 LEU A 26 7.793 -2.598 -1.202 1.00 0.24 C ATOM 434 CD2 LEU A 26 8.738 -2.773 -3.500 1.00 0.32 C ATOM 0 H LEU A 26 9.353 -6.377 -1.632 1.00 0.24 H new ATOM 0 HA LEU A 26 10.738 -4.591 -3.471 1.00 0.27 H new ATOM 0 HB2 LEU A 26 9.713 -4.359 -0.611 1.00 0.24 H new ATOM 0 HB3 LEU A 26 10.509 -3.056 -1.469 1.00 0.24 H new ATOM 0 HG LEU A 26 7.929 -4.385 -2.357 1.00 0.25 H new ATOM 0 HD11 LEU A 26 6.839 -2.297 -1.634 1.00 0.24 H new ATOM 0 HD12 LEU A 26 7.615 -3.141 -0.274 1.00 0.24 H new ATOM 0 HD13 LEU A 26 8.393 -1.712 -0.995 1.00 0.24 H new ATOM 0 HD21 LEU A 26 7.772 -2.465 -3.900 1.00 0.32 H new ATOM 0 HD22 LEU A 26 9.361 -1.893 -3.340 1.00 0.32 H new ATOM 0 HD23 LEU A 26 9.228 -3.441 -4.208 1.00 0.32 H new ATOM 446 N ASP A 27 12.241 -4.836 -0.640 1.00 0.27 N ATOM 447 CA ASP A 27 13.571 -4.778 -0.041 1.00 0.33 C ATOM 448 C ASP A 27 13.435 -4.360 1.418 1.00 0.37 C ATOM 449 O ASP A 27 14.294 -3.687 1.980 1.00 0.59 O ATOM 450 CB ASP A 27 14.440 -3.772 -0.819 1.00 0.40 C ATOM 451 CG ASP A 27 15.876 -3.695 -0.333 1.00 0.51 C ATOM 452 OD1 ASP A 27 16.554 -4.741 -0.288 1.00 1.10 O ATOM 453 OD2 ASP A 27 16.331 -2.575 0.005 1.00 1.37 O ATOM 0 H ASP A 27 11.483 -4.608 0.004 1.00 0.27 H new ATOM 0 HA ASP A 27 14.051 -5.755 -0.087 1.00 0.33 H new ATOM 0 HB2 ASP A 27 14.438 -4.045 -1.874 1.00 0.40 H new ATOM 0 HB3 ASP A 27 13.988 -2.783 -0.745 1.00 0.40 H new ATOM 458 N ILE A 28 12.337 -4.774 2.033 1.00 0.28 N ATOM 459 CA ILE A 28 12.036 -4.367 3.401 1.00 0.29 C ATOM 460 C ILE A 28 12.534 -5.416 4.382 1.00 0.28 C ATOM 461 O ILE A 28 12.343 -6.614 4.168 1.00 0.29 O ATOM 462 CB ILE A 28 10.520 -4.122 3.627 1.00 0.31 C ATOM 463 CG1 ILE A 28 10.052 -2.824 2.967 1.00 0.33 C ATOM 464 CG2 ILE A 28 10.198 -4.082 5.110 1.00 0.36 C ATOM 465 CD1 ILE A 28 10.082 -2.851 1.463 1.00 0.37 C ATOM 0 H ILE A 28 11.641 -5.389 1.610 1.00 0.28 H new ATOM 0 HA ILE A 28 12.552 -3.422 3.572 1.00 0.29 H new ATOM 0 HB ILE A 28 9.988 -4.953 3.164 1.00 0.31 H new ATOM 0 HG12 ILE A 28 9.035 -2.609 3.295 1.00 0.33 H new ATOM 0 HG13 ILE A 28 10.680 -2.005 3.317 1.00 0.33 H new ATOM 0 HG21 ILE A 28 9.130 -3.909 5.246 1.00 0.36 H new ATOM 0 HG22 ILE A 28 10.473 -5.032 5.568 1.00 0.36 H new ATOM 0 HG23 ILE A 28 10.759 -3.276 5.583 1.00 0.36 H new ATOM 0 HD11 ILE A 28 9.735 -1.893 1.075 1.00 0.37 H new ATOM 0 HD12 ILE A 28 11.101 -3.033 1.123 1.00 0.37 H new ATOM 0 HD13 ILE A 28 9.431 -3.646 1.100 1.00 0.37 H new ATOM 477 N ALA A 29 13.172 -4.968 5.453 1.00 0.31 N ATOM 478 CA ALA A 29 13.706 -5.887 6.439 1.00 0.33 C ATOM 479 C ALA A 29 12.801 -5.960 7.650 1.00 0.34 C ATOM 480 O ALA A 29 12.264 -7.015 7.983 1.00 0.43 O ATOM 481 CB ALA A 29 15.115 -5.485 6.843 1.00 0.34 C ATOM 0 H ALA A 29 13.330 -3.981 5.658 1.00 0.31 H new ATOM 0 HA ALA A 29 13.752 -6.879 5.989 1.00 0.33 H new ATOM 0 HB1 ALA A 29 15.496 -6.188 7.584 1.00 0.34 H new ATOM 0 HB2 ALA A 29 15.762 -5.496 5.966 1.00 0.34 H new ATOM 0 HB3 ALA A 29 15.099 -4.482 7.270 1.00 0.34 H new ATOM 487 N ILE A 30 12.616 -4.828 8.288 1.00 0.29 N ATOM 488 CA ILE A 30 11.775 -4.743 9.472 1.00 0.32 C ATOM 489 C ILE A 30 10.983 -3.459 9.397 1.00 0.34 C ATOM 490 O ILE A 30 9.845 -3.381 9.846 1.00 0.44 O ATOM 491 CB ILE A 30 12.613 -4.814 10.782 1.00 0.34 C ATOM 492 CG1 ILE A 30 11.713 -4.829 12.036 1.00 0.42 C ATOM 493 CG2 ILE A 30 13.619 -3.668 10.842 1.00 0.31 C ATOM 494 CD1 ILE A 30 11.399 -3.463 12.614 1.00 0.39 C ATOM 0 H ILE A 30 13.038 -3.943 8.008 1.00 0.29 H new ATOM 0 HA ILE A 30 11.098 -5.597 9.497 1.00 0.32 H new ATOM 0 HB ILE A 30 13.165 -5.754 10.770 1.00 0.34 H new ATOM 0 HG12 ILE A 30 10.775 -5.326 11.786 1.00 0.42 H new ATOM 0 HG13 ILE A 30 12.197 -5.430 12.805 1.00 0.42 H new ATOM 0 HG21 ILE A 30 14.194 -3.737 11.765 1.00 0.31 H new ATOM 0 HG22 ILE A 30 14.294 -3.731 9.989 1.00 0.31 H new ATOM 0 HG23 ILE A 30 13.088 -2.716 10.815 1.00 0.31 H new ATOM 0 HD11 ILE A 30 10.762 -3.577 13.491 1.00 0.39 H new ATOM 0 HD12 ILE A 30 12.326 -2.967 12.901 1.00 0.39 H new ATOM 0 HD13 ILE A 30 10.883 -2.861 11.866 1.00 0.39 H new ATOM 506 N LYS A 31 11.602 -2.463 8.789 1.00 0.32 N ATOM 507 CA LYS A 31 10.956 -1.205 8.521 1.00 0.37 C ATOM 508 C LYS A 31 11.104 -0.881 7.046 1.00 0.37 C ATOM 509 O LYS A 31 10.158 -1.011 6.277 1.00 0.57 O ATOM 510 CB LYS A 31 11.577 -0.099 9.378 1.00 0.39 C ATOM 511 CG LYS A 31 11.521 -0.378 10.869 1.00 0.39 C ATOM 512 CD LYS A 31 11.776 0.877 11.681 1.00 0.45 C ATOM 513 CE LYS A 31 10.640 1.875 11.535 1.00 0.46 C ATOM 514 NZ LYS A 31 10.923 3.145 12.249 1.00 0.65 N ATOM 0 H LYS A 31 12.569 -2.511 8.469 1.00 0.32 H new ATOM 0 HA LYS A 31 9.898 -1.274 8.772 1.00 0.37 H new ATOM 0 HB2 LYS A 31 12.617 0.037 9.082 1.00 0.39 H new ATOM 0 HB3 LYS A 31 11.062 0.839 9.173 1.00 0.39 H new ATOM 0 HG2 LYS A 31 10.544 -0.787 11.127 1.00 0.39 H new ATOM 0 HG3 LYS A 31 12.261 -1.135 11.126 1.00 0.39 H new ATOM 0 HD2 LYS A 31 11.897 0.613 12.732 1.00 0.45 H new ATOM 0 HD3 LYS A 31 12.710 1.337 11.358 1.00 0.45 H new ATOM 0 HE2 LYS A 31 10.473 2.082 10.478 1.00 0.46 H new ATOM 0 HE3 LYS A 31 9.720 1.437 11.923 1.00 0.46 H new ATOM 0 HZ1 LYS A 31 10.124 3.799 12.125 1.00 0.65 H new ATOM 0 HZ2 LYS A 31 11.057 2.951 13.262 1.00 0.65 H new ATOM 0 HZ3 LYS A 31 11.786 3.576 11.861 1.00 0.65 H new ATOM 528 N ASP A 32 12.335 -0.569 6.661 1.00 0.24 N ATOM 529 CA ASP A 32 12.675 -0.093 5.316 1.00 0.25 C ATOM 530 C ASP A 32 11.687 0.931 4.717 1.00 0.35 C ATOM 531 O ASP A 32 10.665 1.269 5.302 1.00 0.84 O ATOM 532 CB ASP A 32 12.875 -1.288 4.399 1.00 0.31 C ATOM 533 CG ASP A 32 14.296 -1.803 4.475 1.00 1.17 C ATOM 534 OD1 ASP A 32 14.578 -2.644 5.351 1.00 1.91 O ATOM 535 OD2 ASP A 32 15.142 -1.347 3.684 1.00 1.80 O ATOM 0 H ASP A 32 13.142 -0.639 7.281 1.00 0.24 H new ATOM 0 HA ASP A 32 13.604 0.469 5.409 1.00 0.25 H new ATOM 0 HB2 ASP A 32 12.182 -2.082 4.676 1.00 0.31 H new ATOM 0 HB3 ASP A 32 12.642 -1.005 3.372 1.00 0.31 H new ATOM 540 N SER A 33 12.042 1.463 3.555 1.00 0.25 N ATOM 541 CA SER A 33 11.282 2.550 2.936 1.00 0.19 C ATOM 542 C SER A 33 10.296 2.059 1.870 1.00 0.19 C ATOM 543 O SER A 33 10.666 1.277 0.994 1.00 0.28 O ATOM 544 CB SER A 33 12.258 3.525 2.280 1.00 0.24 C ATOM 545 OG SER A 33 13.345 3.838 3.136 1.00 0.27 O ATOM 0 H SER A 33 12.854 1.161 3.017 1.00 0.25 H new ATOM 0 HA SER A 33 10.703 3.028 3.726 1.00 0.19 H new ATOM 0 HB2 SER A 33 12.637 3.092 1.354 1.00 0.24 H new ATOM 0 HB3 SER A 33 11.731 4.441 2.011 1.00 0.24 H new ATOM 0 HG SER A 33 13.949 4.462 2.683 1.00 0.27 H new ATOM 551 N ILE A 34 9.048 2.532 1.943 1.00 0.16 N ATOM 552 CA ILE A 34 8.061 2.286 0.888 1.00 0.18 C ATOM 553 C ILE A 34 7.345 3.594 0.538 1.00 0.15 C ATOM 554 O ILE A 34 6.786 4.240 1.414 1.00 0.16 O ATOM 555 CB ILE A 34 6.989 1.242 1.291 1.00 0.26 C ATOM 556 CG1 ILE A 34 7.607 0.010 1.960 1.00 0.46 C ATOM 557 CG2 ILE A 34 6.203 0.816 0.065 1.00 0.76 C ATOM 558 CD1 ILE A 34 7.786 0.150 3.456 1.00 0.58 C ATOM 0 H ILE A 34 8.697 3.088 2.723 1.00 0.16 H new ATOM 0 HA ILE A 34 8.612 1.891 0.035 1.00 0.18 H new ATOM 0 HB ILE A 34 6.326 1.714 2.016 1.00 0.26 H new ATOM 0 HG12 ILE A 34 6.976 -0.856 1.759 1.00 0.46 H new ATOM 0 HG13 ILE A 34 8.577 -0.190 1.505 1.00 0.46 H new ATOM 0 HG21 ILE A 34 5.450 0.082 0.352 1.00 0.76 H new ATOM 0 HG22 ILE A 34 5.713 1.685 -0.373 1.00 0.76 H new ATOM 0 HG23 ILE A 34 6.880 0.374 -0.666 1.00 0.76 H new ATOM 0 HD11 ILE A 34 8.228 -0.762 3.856 1.00 0.58 H new ATOM 0 HD12 ILE A 34 8.442 0.994 3.666 1.00 0.58 H new ATOM 0 HD13 ILE A 34 6.816 0.319 3.924 1.00 0.58 H new ATOM 570 N GLU A 35 7.345 3.962 -0.736 1.00 0.13 N ATOM 571 CA GLU A 35 6.776 5.238 -1.178 1.00 0.13 C ATOM 572 C GLU A 35 5.622 4.973 -2.147 1.00 0.13 C ATOM 573 O GLU A 35 5.714 4.087 -3.000 1.00 0.17 O ATOM 574 CB GLU A 35 7.860 6.104 -1.835 1.00 0.16 C ATOM 575 CG GLU A 35 7.377 7.484 -2.277 1.00 0.23 C ATOM 576 CD GLU A 35 8.442 8.274 -3.023 1.00 0.38 C ATOM 577 OE1 GLU A 35 9.496 7.691 -3.359 1.00 1.13 O ATOM 578 OE2 GLU A 35 8.215 9.473 -3.310 1.00 1.21 O ATOM 0 H GLU A 35 7.734 3.395 -1.489 1.00 0.13 H new ATOM 0 HA GLU A 35 6.390 5.782 -0.316 1.00 0.13 H new ATOM 0 HB2 GLU A 35 8.685 6.228 -1.133 1.00 0.16 H new ATOM 0 HB3 GLU A 35 8.256 5.575 -2.702 1.00 0.16 H new ATOM 0 HG2 GLU A 35 6.502 7.369 -2.917 1.00 0.23 H new ATOM 0 HG3 GLU A 35 7.059 8.050 -1.401 1.00 0.23 H new ATOM 585 N PHE A 36 4.532 5.732 -2.009 1.00 0.13 N ATOM 586 CA PHE A 36 3.298 5.402 -2.726 1.00 0.12 C ATOM 587 C PHE A 36 2.911 6.428 -3.799 1.00 0.14 C ATOM 588 O PHE A 36 3.254 7.613 -3.730 1.00 0.16 O ATOM 589 CB PHE A 36 2.117 5.213 -1.758 1.00 0.15 C ATOM 590 CG PHE A 36 2.515 4.991 -0.330 1.00 0.14 C ATOM 591 CD1 PHE A 36 3.271 3.891 0.031 1.00 1.24 C ATOM 592 CD2 PHE A 36 2.124 5.882 0.650 1.00 1.11 C ATOM 593 CE1 PHE A 36 3.632 3.685 1.344 1.00 1.33 C ATOM 594 CE2 PHE A 36 2.481 5.681 1.967 1.00 1.06 C ATOM 595 CZ PHE A 36 3.236 4.579 2.314 1.00 0.36 C ATOM 0 H PHE A 36 4.478 6.563 -1.420 1.00 0.13 H new ATOM 0 HA PHE A 36 3.514 4.463 -3.236 1.00 0.12 H new ATOM 0 HB2 PHE A 36 1.476 6.093 -1.811 1.00 0.15 H new ATOM 0 HB3 PHE A 36 1.521 4.364 -2.093 1.00 0.15 H new ATOM 0 HD1 PHE A 36 3.582 3.185 -0.725 1.00 1.24 H new ATOM 0 HD2 PHE A 36 1.533 6.745 0.382 1.00 1.11 H new ATOM 0 HE1 PHE A 36 4.225 2.823 1.613 1.00 1.33 H new ATOM 0 HE2 PHE A 36 2.170 6.385 2.725 1.00 1.06 H new ATOM 0 HZ PHE A 36 3.516 4.418 3.345 1.00 0.36 H new ATOM 605 N PHE A 37 2.177 5.924 -4.784 1.00 0.15 N ATOM 606 CA PHE A 37 1.625 6.693 -5.893 1.00 0.17 C ATOM 607 C PHE A 37 0.122 6.480 -5.892 1.00 0.13 C ATOM 608 O PHE A 37 -0.364 5.544 -5.266 1.00 0.11 O ATOM 609 CB PHE A 37 2.229 6.177 -7.212 1.00 0.20 C ATOM 610 CG PHE A 37 2.092 7.095 -8.403 1.00 0.22 C ATOM 611 CD1 PHE A 37 0.977 7.037 -9.225 1.00 1.25 C ATOM 612 CD2 PHE A 37 3.098 7.995 -8.715 1.00 1.13 C ATOM 613 CE1 PHE A 37 0.866 7.861 -10.329 1.00 1.26 C ATOM 614 CE2 PHE A 37 2.995 8.820 -9.819 1.00 1.15 C ATOM 615 CZ PHE A 37 1.877 8.755 -10.628 1.00 0.33 C ATOM 0 H PHE A 37 1.941 4.933 -4.834 1.00 0.15 H new ATOM 0 HA PHE A 37 1.857 7.753 -5.792 1.00 0.17 H new ATOM 0 HB2 PHE A 37 3.289 5.978 -7.051 1.00 0.20 H new ATOM 0 HB3 PHE A 37 1.759 5.224 -7.456 1.00 0.20 H new ATOM 0 HD1 PHE A 37 0.185 6.339 -9.000 1.00 1.25 H new ATOM 0 HD2 PHE A 37 3.975 8.053 -8.087 1.00 1.13 H new ATOM 0 HE1 PHE A 37 -0.010 7.806 -10.958 1.00 1.26 H new ATOM 0 HE2 PHE A 37 3.788 9.516 -10.049 1.00 1.15 H new ATOM 0 HZ PHE A 37 1.793 9.400 -11.490 1.00 0.33 H new ATOM 625 N VAL A 38 -0.610 7.341 -6.557 1.00 0.17 N ATOM 626 CA VAL A 38 -2.044 7.135 -6.703 1.00 0.18 C ATOM 627 C VAL A 38 -2.491 7.352 -8.142 1.00 0.21 C ATOM 628 O VAL A 38 -2.293 8.417 -8.726 1.00 0.25 O ATOM 629 CB VAL A 38 -2.870 7.990 -5.714 1.00 0.22 C ATOM 630 CG1 VAL A 38 -2.438 9.447 -5.730 1.00 0.26 C ATOM 631 CG2 VAL A 38 -4.360 7.874 -6.001 1.00 0.25 C ATOM 0 H VAL A 38 -0.249 8.184 -7.004 1.00 0.17 H new ATOM 0 HA VAL A 38 -2.239 6.094 -6.447 1.00 0.18 H new ATOM 0 HB VAL A 38 -2.679 7.598 -4.715 1.00 0.22 H new ATOM 0 HG11 VAL A 38 -3.043 10.014 -5.022 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -1.387 9.518 -5.449 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -2.574 9.856 -6.731 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -4.916 8.485 -5.290 1.00 0.25 H new ATOM 0 HG22 VAL A 38 -4.563 8.220 -7.014 1.00 0.25 H new ATOM 0 HG23 VAL A 38 -4.669 6.833 -5.904 1.00 0.25 H new ATOM 641 N ASP A 39 -3.074 6.308 -8.701 1.00 0.24 N ATOM 642 CA ASP A 39 -3.465 6.282 -10.100 1.00 0.30 C ATOM 643 C ASP A 39 -4.971 6.084 -10.229 1.00 0.32 C ATOM 644 O ASP A 39 -5.465 4.959 -10.159 1.00 0.29 O ATOM 645 CB ASP A 39 -2.709 5.158 -10.820 1.00 0.30 C ATOM 646 CG ASP A 39 -3.107 4.995 -12.274 1.00 0.44 C ATOM 647 OD1 ASP A 39 -3.413 6.005 -12.937 1.00 1.27 O ATOM 648 OD2 ASP A 39 -3.102 3.843 -12.762 1.00 1.12 O ATOM 0 H ASP A 39 -3.291 5.449 -8.195 1.00 0.24 H new ATOM 0 HA ASP A 39 -3.210 7.236 -10.562 1.00 0.30 H new ATOM 0 HB2 ASP A 39 -1.639 5.358 -10.765 1.00 0.30 H new ATOM 0 HB3 ASP A 39 -2.885 4.219 -10.296 1.00 0.30 H new ATOM 653 N GLY A 40 -5.696 7.185 -10.384 1.00 0.40 N ATOM 654 CA GLY A 40 -7.141 7.121 -10.516 1.00 0.45 C ATOM 655 C GLY A 40 -7.817 6.677 -9.233 1.00 0.39 C ATOM 656 O GLY A 40 -8.161 7.498 -8.383 1.00 0.43 O ATOM 0 H GLY A 40 -5.307 8.127 -10.421 1.00 0.40 H new ATOM 0 HA2 GLY A 40 -7.521 8.101 -10.804 1.00 0.45 H new ATOM 0 HA3 GLY A 40 -7.400 6.430 -11.318 1.00 0.45 H new ATOM 660 N ASP A 41 -7.996 5.373 -9.097 1.00 0.33 N ATOM 661 CA ASP A 41 -8.587 4.785 -7.903 1.00 0.29 C ATOM 662 C ASP A 41 -7.643 3.718 -7.395 1.00 0.21 C ATOM 663 O ASP A 41 -8.054 2.753 -6.758 1.00 0.25 O ATOM 664 CB ASP A 41 -9.944 4.128 -8.192 1.00 0.35 C ATOM 665 CG ASP A 41 -10.872 4.977 -9.027 1.00 0.98 C ATOM 666 OD1 ASP A 41 -11.650 5.767 -8.448 1.00 1.74 O ATOM 667 OD2 ASP A 41 -10.850 4.836 -10.267 1.00 1.72 O ATOM 0 H ASP A 41 -7.736 4.692 -9.810 1.00 0.33 H new ATOM 0 HA ASP A 41 -8.746 5.578 -7.172 1.00 0.29 H new ATOM 0 HB2 ASP A 41 -9.776 3.181 -8.704 1.00 0.35 H new ATOM 0 HB3 ASP A 41 -10.433 3.896 -7.246 1.00 0.35 H new ATOM 672 N LYS A 42 -6.377 3.881 -7.718 1.00 0.18 N ATOM 673 CA LYS A 42 -5.368 2.898 -7.395 1.00 0.14 C ATOM 674 C LYS A 42 -4.238 3.520 -6.599 1.00 0.12 C ATOM 675 O LYS A 42 -3.972 4.713 -6.711 1.00 0.14 O ATOM 676 CB LYS A 42 -4.824 2.334 -8.697 1.00 0.12 C ATOM 677 CG LYS A 42 -3.535 1.552 -8.560 1.00 0.18 C ATOM 678 CD LYS A 42 -2.790 1.520 -9.884 1.00 0.40 C ATOM 679 CE LYS A 42 -3.650 0.905 -10.979 1.00 0.53 C ATOM 680 NZ LYS A 42 -3.117 1.178 -12.341 1.00 0.41 N ATOM 0 H LYS A 42 -6.020 4.699 -8.212 1.00 0.18 H new ATOM 0 HA LYS A 42 -5.812 2.110 -6.787 1.00 0.14 H new ATOM 0 HB2 LYS A 42 -5.580 1.686 -9.140 1.00 0.12 H new ATOM 0 HB3 LYS A 42 -4.661 3.157 -9.393 1.00 0.12 H new ATOM 0 HG2 LYS A 42 -2.907 2.006 -7.793 1.00 0.18 H new ATOM 0 HG3 LYS A 42 -3.752 0.535 -8.233 1.00 0.18 H new ATOM 0 HD2 LYS A 42 -2.502 2.532 -10.168 1.00 0.40 H new ATOM 0 HD3 LYS A 42 -1.870 0.946 -9.774 1.00 0.40 H new ATOM 0 HE2 LYS A 42 -3.713 -0.172 -10.826 1.00 0.53 H new ATOM 0 HE3 LYS A 42 -4.664 1.297 -10.904 1.00 0.53 H new ATOM 0 HZ1 LYS A 42 -3.832 0.921 -13.051 1.00 0.41 H new ATOM 0 HZ2 LYS A 42 -2.890 2.189 -12.429 1.00 0.41 H new ATOM 0 HZ3 LYS A 42 -2.256 0.615 -12.496 1.00 0.41 H new ATOM 694 N ILE A 43 -3.577 2.702 -5.809 1.00 0.10 N ATOM 695 CA ILE A 43 -2.408 3.125 -5.068 1.00 0.09 C ATOM 696 C ILE A 43 -1.217 2.266 -5.468 1.00 0.08 C ATOM 697 O ILE A 43 -1.364 1.072 -5.715 1.00 0.10 O ATOM 698 CB ILE A 43 -2.675 3.048 -3.548 1.00 0.10 C ATOM 699 CG1 ILE A 43 -3.677 4.143 -3.149 1.00 0.10 C ATOM 700 CG2 ILE A 43 -1.383 3.142 -2.744 1.00 0.12 C ATOM 701 CD1 ILE A 43 -3.069 5.334 -2.419 1.00 0.15 C ATOM 0 H ILE A 43 -3.834 1.726 -5.662 1.00 0.10 H new ATOM 0 HA ILE A 43 -2.181 4.164 -5.307 1.00 0.09 H new ATOM 0 HB ILE A 43 -3.110 2.076 -3.316 1.00 0.10 H new ATOM 0 HG12 ILE A 43 -4.177 4.503 -4.048 1.00 0.10 H new ATOM 0 HG13 ILE A 43 -4.444 3.699 -2.514 1.00 0.10 H new ATOM 0 HG21 ILE A 43 -1.612 3.084 -1.680 1.00 0.12 H new ATOM 0 HG22 ILE A 43 -0.723 2.319 -3.019 1.00 0.12 H new ATOM 0 HG23 ILE A 43 -0.889 4.090 -2.958 1.00 0.12 H new ATOM 0 HD11 ILE A 43 -3.853 6.053 -2.179 1.00 0.15 H new ATOM 0 HD12 ILE A 43 -2.595 4.993 -1.498 1.00 0.15 H new ATOM 0 HD13 ILE A 43 -2.324 5.810 -3.056 1.00 0.15 H new ATOM 713 N ILE A 44 -0.056 2.882 -5.564 1.00 0.08 N ATOM 714 CA ILE A 44 1.144 2.210 -6.033 1.00 0.09 C ATOM 715 C ILE A 44 2.208 2.278 -4.957 1.00 0.11 C ATOM 716 O ILE A 44 2.387 3.317 -4.348 1.00 0.19 O ATOM 717 CB ILE A 44 1.693 2.888 -7.308 1.00 0.14 C ATOM 718 CG1 ILE A 44 0.552 3.191 -8.282 1.00 0.19 C ATOM 719 CG2 ILE A 44 2.746 2.010 -7.962 1.00 0.19 C ATOM 720 CD1 ILE A 44 1.000 3.778 -9.600 1.00 0.22 C ATOM 0 H ILE A 44 0.085 3.862 -5.320 1.00 0.08 H new ATOM 0 HA ILE A 44 0.890 1.175 -6.260 1.00 0.09 H new ATOM 0 HB ILE A 44 2.163 3.831 -7.030 1.00 0.14 H new ATOM 0 HG12 ILE A 44 0.001 2.271 -8.476 1.00 0.19 H new ATOM 0 HG13 ILE A 44 -0.142 3.884 -7.806 1.00 0.19 H new ATOM 0 HG21 ILE A 44 3.123 2.501 -8.859 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.568 1.847 -7.265 1.00 0.19 H new ATOM 0 HG23 ILE A 44 2.304 1.051 -8.232 1.00 0.19 H new ATOM 0 HD11 ILE A 44 0.130 3.962 -10.231 1.00 0.22 H new ATOM 0 HD12 ILE A 44 1.524 4.717 -9.421 1.00 0.22 H new ATOM 0 HD13 ILE A 44 1.669 3.079 -10.101 1.00 0.22 H new ATOM 732 N LEU A 45 2.908 1.194 -4.704 1.00 0.09 N ATOM 733 CA LEU A 45 3.962 1.211 -3.707 1.00 0.10 C ATOM 734 C LEU A 45 5.265 0.729 -4.305 1.00 0.12 C ATOM 735 O LEU A 45 5.288 -0.241 -5.062 1.00 0.16 O ATOM 736 CB LEU A 45 3.604 0.356 -2.492 1.00 0.11 C ATOM 737 CG LEU A 45 2.763 1.049 -1.419 1.00 0.14 C ATOM 738 CD1 LEU A 45 1.346 1.298 -1.898 1.00 0.17 C ATOM 739 CD2 LEU A 45 2.751 0.229 -0.147 1.00 0.23 C ATOM 0 H LEU A 45 2.771 0.296 -5.168 1.00 0.09 H new ATOM 0 HA LEU A 45 4.077 2.242 -3.374 1.00 0.10 H new ATOM 0 HB2 LEU A 45 3.064 -0.526 -2.837 1.00 0.11 H new ATOM 0 HB3 LEU A 45 4.528 0.005 -2.033 1.00 0.11 H new ATOM 0 HG LEU A 45 3.220 2.017 -1.213 1.00 0.14 H new ATOM 0 HD11 LEU A 45 0.777 1.792 -1.110 1.00 0.17 H new ATOM 0 HD12 LEU A 45 1.368 1.934 -2.783 1.00 0.17 H new ATOM 0 HD13 LEU A 45 0.873 0.348 -2.146 1.00 0.17 H new ATOM 0 HD21 LEU A 45 2.148 0.736 0.607 1.00 0.23 H new ATOM 0 HD22 LEU A 45 2.326 -0.754 -0.351 1.00 0.23 H new ATOM 0 HD23 LEU A 45 3.770 0.113 0.221 1.00 0.23 H new ATOM 751 N LYS A 46 6.337 1.428 -3.984 1.00 0.15 N ATOM 752 CA LYS A 46 7.663 1.041 -4.424 1.00 0.24 C ATOM 753 C LYS A 46 8.686 1.432 -3.369 1.00 0.25 C ATOM 754 O LYS A 46 8.495 2.400 -2.635 1.00 0.41 O ATOM 755 CB LYS A 46 7.982 1.676 -5.791 1.00 0.45 C ATOM 756 CG LYS A 46 8.060 3.199 -5.789 1.00 0.81 C ATOM 757 CD LYS A 46 9.468 3.671 -5.479 1.00 1.10 C ATOM 758 CE LYS A 46 9.573 5.181 -5.430 1.00 1.19 C ATOM 759 NZ LYS A 46 10.960 5.614 -5.120 1.00 1.52 N ATOM 0 H LYS A 46 6.314 2.274 -3.415 1.00 0.15 H new ATOM 0 HA LYS A 46 7.703 -0.041 -4.551 1.00 0.24 H new ATOM 0 HB2 LYS A 46 8.932 1.279 -6.147 1.00 0.45 H new ATOM 0 HB3 LYS A 46 7.219 1.367 -6.506 1.00 0.45 H new ATOM 0 HG2 LYS A 46 7.749 3.584 -6.760 1.00 0.81 H new ATOM 0 HG3 LYS A 46 7.367 3.601 -5.050 1.00 0.81 H new ATOM 0 HD2 LYS A 46 9.785 3.256 -4.522 1.00 1.10 H new ATOM 0 HD3 LYS A 46 10.152 3.286 -6.235 1.00 1.10 H new ATOM 0 HE2 LYS A 46 9.264 5.601 -6.387 1.00 1.19 H new ATOM 0 HE3 LYS A 46 8.890 5.571 -4.675 1.00 1.19 H new ATOM 0 HZ1 LYS A 46 10.934 6.412 -4.453 1.00 1.52 H new ATOM 0 HZ2 LYS A 46 11.483 4.823 -4.693 1.00 1.52 H new ATOM 0 HZ3 LYS A 46 11.435 5.910 -5.996 1.00 1.52 H new ATOM 773 N LYS A 47 9.749 0.663 -3.277 1.00 0.23 N ATOM 774 CA LYS A 47 10.789 0.909 -2.286 1.00 0.25 C ATOM 775 C LYS A 47 11.578 2.162 -2.668 1.00 0.27 C ATOM 776 O LYS A 47 11.679 2.495 -3.845 1.00 0.39 O ATOM 777 CB LYS A 47 11.696 -0.320 -2.195 1.00 0.33 C ATOM 778 CG LYS A 47 12.105 -0.685 -0.780 1.00 0.40 C ATOM 779 CD LYS A 47 13.499 -0.192 -0.436 1.00 0.44 C ATOM 780 CE LYS A 47 13.878 -0.596 0.976 1.00 0.77 C ATOM 781 NZ LYS A 47 15.323 -0.397 1.255 1.00 0.53 N ATOM 0 H LYS A 47 9.922 -0.143 -3.877 1.00 0.23 H new ATOM 0 HA LYS A 47 10.344 1.081 -1.306 1.00 0.25 H new ATOM 0 HB2 LYS A 47 11.183 -1.171 -2.644 1.00 0.33 H new ATOM 0 HB3 LYS A 47 12.594 -0.140 -2.786 1.00 0.33 H new ATOM 0 HG2 LYS A 47 11.389 -0.261 -0.077 1.00 0.40 H new ATOM 0 HG3 LYS A 47 12.066 -1.768 -0.661 1.00 0.40 H new ATOM 0 HD2 LYS A 47 14.220 -0.603 -1.143 1.00 0.44 H new ATOM 0 HD3 LYS A 47 13.540 0.893 -0.533 1.00 0.44 H new ATOM 0 HE2 LYS A 47 13.290 -0.015 1.687 1.00 0.77 H new ATOM 0 HE3 LYS A 47 13.622 -1.644 1.132 1.00 0.77 H new ATOM 0 HZ1 LYS A 47 15.525 -0.655 2.242 1.00 0.53 H new ATOM 0 HZ2 LYS A 47 15.885 -0.997 0.618 1.00 0.53 H new ATOM 0 HZ3 LYS A 47 15.572 0.601 1.101 1.00 0.53 H new ATOM 795 N TYR A 48 12.136 2.856 -1.680 1.00 0.23 N ATOM 796 CA TYR A 48 12.780 4.148 -1.924 1.00 0.29 C ATOM 797 C TYR A 48 13.992 3.982 -2.831 1.00 0.38 C ATOM 798 O TYR A 48 14.137 4.684 -3.831 1.00 0.41 O ATOM 799 CB TYR A 48 13.204 4.778 -0.595 1.00 0.36 C ATOM 800 CG TYR A 48 13.963 6.081 -0.735 1.00 0.53 C ATOM 801 CD1 TYR A 48 13.323 7.246 -1.140 1.00 1.15 C ATOM 802 CD2 TYR A 48 15.322 6.143 -0.455 1.00 1.37 C ATOM 803 CE1 TYR A 48 14.019 8.435 -1.265 1.00 1.26 C ATOM 804 CE2 TYR A 48 16.023 7.328 -0.574 1.00 1.49 C ATOM 805 CZ TYR A 48 15.367 8.470 -0.979 1.00 0.93 C ATOM 806 OH TYR A 48 16.066 9.653 -1.100 1.00 1.14 O ATOM 0 H TYR A 48 12.157 2.550 -0.707 1.00 0.23 H new ATOM 0 HA TYR A 48 12.065 4.803 -2.421 1.00 0.29 H new ATOM 0 HB2 TYR A 48 12.315 4.953 0.011 1.00 0.36 H new ATOM 0 HB3 TYR A 48 13.825 4.066 -0.051 1.00 0.36 H new ATOM 0 HD1 TYR A 48 12.266 7.223 -1.361 1.00 1.15 H new ATOM 0 HD2 TYR A 48 15.840 5.250 -0.139 1.00 1.37 H new ATOM 0 HE1 TYR A 48 13.509 9.331 -1.585 1.00 1.26 H new ATOM 0 HE2 TYR A 48 17.079 7.359 -0.351 1.00 1.49 H new ATOM 0 HH TYR A 48 17.004 9.505 -0.860 1.00 1.14 H new ATOM 958 N ILE B 4 1.771 11.009 -4.270 1.00 0.30 N ATOM 959 CA ILE B 4 1.687 11.261 -2.847 1.00 0.28 C ATOM 960 C ILE B 4 3.074 11.600 -2.327 1.00 0.31 C ATOM 961 O ILE B 4 3.254 12.524 -1.537 1.00 0.37 O ATOM 962 CB ILE B 4 1.148 10.021 -2.111 1.00 0.25 C ATOM 963 CG1 ILE B 4 0.070 9.338 -2.957 1.00 0.26 C ATOM 964 CG2 ILE B 4 0.588 10.416 -0.756 1.00 0.28 C ATOM 965 CD1 ILE B 4 -0.418 8.027 -2.383 1.00 0.28 C ATOM 0 HA ILE B 4 1.005 12.092 -2.668 1.00 0.28 H new ATOM 0 HB ILE B 4 1.967 9.319 -1.954 1.00 0.25 H new ATOM 0 HG12 ILE B 4 -0.778 10.015 -3.064 1.00 0.26 H new ATOM 0 HG13 ILE B 4 0.465 9.161 -3.958 1.00 0.26 H new ATOM 0 HG21 ILE B 4 0.210 9.530 -0.246 1.00 0.28 H new ATOM 0 HG22 ILE B 4 1.375 10.872 -0.156 1.00 0.28 H new ATOM 0 HG23 ILE B 4 -0.224 11.130 -0.892 1.00 0.28 H new ATOM 0 HD11 ILE B 4 -1.180 7.604 -3.038 1.00 0.28 H new ATOM 0 HD12 ILE B 4 0.418 7.332 -2.302 1.00 0.28 H new ATOM 0 HD13 ILE B 4 -0.844 8.199 -1.395 1.00 0.28 H new ATOM 977 N GLY B 5 4.045 10.827 -2.797 1.00 0.33 N ATOM 978 CA GLY B 5 5.438 11.084 -2.489 1.00 0.38 C ATOM 979 C GLY B 5 5.752 10.930 -1.029 1.00 0.34 C ATOM 980 O GLY B 5 6.638 11.598 -0.496 1.00 0.46 O ATOM 0 H GLY B 5 3.888 10.015 -3.395 1.00 0.33 H new ATOM 0 HA2 GLY B 5 6.064 10.401 -3.064 1.00 0.38 H new ATOM 0 HA3 GLY B 5 5.694 12.095 -2.806 1.00 0.38 H new ATOM 984 N VAL B 6 5.019 10.058 -0.381 1.00 0.24 N ATOM 985 CA VAL B 6 5.271 9.764 1.008 1.00 0.22 C ATOM 986 C VAL B 6 5.876 8.384 1.131 1.00 0.21 C ATOM 987 O VAL B 6 5.399 7.424 0.520 1.00 0.25 O ATOM 988 CB VAL B 6 3.999 9.866 1.881 1.00 0.22 C ATOM 989 CG1 VAL B 6 3.542 11.311 1.995 1.00 0.26 C ATOM 990 CG2 VAL B 6 2.884 9.006 1.319 1.00 0.20 C ATOM 0 H VAL B 6 4.243 9.540 -0.793 1.00 0.24 H new ATOM 0 HA VAL B 6 5.969 10.515 1.379 1.00 0.22 H new ATOM 0 HB VAL B 6 4.246 9.498 2.877 1.00 0.22 H new ATOM 0 HG11 VAL B 6 2.646 11.361 2.613 1.00 0.26 H new ATOM 0 HG12 VAL B 6 4.332 11.907 2.452 1.00 0.26 H new ATOM 0 HG13 VAL B 6 3.320 11.702 1.002 1.00 0.26 H new ATOM 0 HG21 VAL B 6 2.001 9.096 1.952 1.00 0.20 H new ATOM 0 HG22 VAL B 6 2.642 9.338 0.309 1.00 0.20 H new ATOM 0 HG23 VAL B 6 3.206 7.965 1.291 1.00 0.20 H new ATOM 1000 N VAL B 7 6.929 8.297 1.912 1.00 0.18 N ATOM 1001 CA VAL B 7 7.615 7.041 2.102 1.00 0.16 C ATOM 1002 C VAL B 7 7.462 6.609 3.552 1.00 0.18 C ATOM 1003 O VAL B 7 7.564 7.423 4.474 1.00 0.23 O ATOM 1004 CB VAL B 7 9.107 7.114 1.688 1.00 0.17 C ATOM 1005 CG1 VAL B 7 9.895 8.062 2.582 1.00 0.20 C ATOM 1006 CG2 VAL B 7 9.727 5.723 1.684 1.00 0.19 C ATOM 0 H VAL B 7 7.329 9.082 2.426 1.00 0.18 H new ATOM 0 HA VAL B 7 7.160 6.296 1.449 1.00 0.16 H new ATOM 0 HB VAL B 7 9.152 7.516 0.676 1.00 0.17 H new ATOM 0 HG11 VAL B 7 10.936 8.085 2.259 1.00 0.20 H new ATOM 0 HG12 VAL B 7 9.471 9.064 2.513 1.00 0.20 H new ATOM 0 HG13 VAL B 7 9.843 7.716 3.614 1.00 0.20 H new ATOM 0 HG21 VAL B 7 10.775 5.792 1.391 1.00 0.19 H new ATOM 0 HG22 VAL B 7 9.657 5.291 2.682 1.00 0.19 H new ATOM 0 HG23 VAL B 7 9.194 5.089 0.976 1.00 0.19 H new ATOM 1016 N ARG B 8 7.179 5.340 3.748 1.00 0.15 N ATOM 1017 CA ARG B 8 6.852 4.824 5.059 1.00 0.16 C ATOM 1018 C ARG B 8 7.876 3.810 5.489 1.00 0.16 C ATOM 1019 O ARG B 8 8.444 3.100 4.660 1.00 0.16 O ATOM 1020 CB ARG B 8 5.467 4.172 5.052 1.00 0.16 C ATOM 1021 CG ARG B 8 4.340 5.083 5.505 1.00 0.18 C ATOM 1022 CD ARG B 8 4.361 6.428 4.799 1.00 0.23 C ATOM 1023 NE ARG B 8 3.141 7.187 5.053 1.00 0.50 N ATOM 1024 CZ ARG B 8 3.108 8.500 5.264 1.00 0.51 C ATOM 1025 NH1 ARG B 8 4.231 9.205 5.245 1.00 0.80 N ATOM 1026 NH2 ARG B 8 1.950 9.105 5.498 1.00 0.82 N ATOM 0 H ARG B 8 7.169 4.639 3.007 1.00 0.15 H new ATOM 0 HA ARG B 8 6.849 5.658 5.760 1.00 0.16 H new ATOM 0 HB2 ARG B 8 5.250 3.820 4.043 1.00 0.16 H new ATOM 0 HB3 ARG B 8 5.489 3.294 5.698 1.00 0.16 H new ATOM 0 HG2 ARG B 8 3.384 4.593 5.319 1.00 0.18 H new ATOM 0 HG3 ARG B 8 4.414 5.240 6.581 1.00 0.18 H new ATOM 0 HD2 ARG B 8 5.224 7.003 5.135 1.00 0.23 H new ATOM 0 HD3 ARG B 8 4.478 6.275 3.726 1.00 0.23 H new ATOM 0 HE ARG B 8 2.257 6.678 5.070 1.00 0.50 H new ATOM 0 HH11 ARG B 8 5.122 8.741 5.068 1.00 0.80 H new ATOM 0 HH12 ARG B 8 4.204 10.212 5.407 1.00 0.80 H new ATOM 0 HH21 ARG B 8 1.086 8.563 5.516 1.00 0.82 H new ATOM 0 HH22 ARG B 8 1.924 10.112 5.660 1.00 0.82 H new ATOM 1040 N LYS B 9 8.134 3.778 6.774 1.00 0.18 N ATOM 1041 CA LYS B 9 8.933 2.732 7.358 1.00 0.19 C ATOM 1042 C LYS B 9 8.007 1.731 8.031 1.00 0.19 C ATOM 1043 O LYS B 9 7.172 2.113 8.854 1.00 0.23 O ATOM 1044 CB LYS B 9 9.927 3.309 8.372 1.00 0.22 C ATOM 1045 CG LYS B 9 10.860 4.376 7.804 1.00 0.25 C ATOM 1046 CD LYS B 9 11.414 3.981 6.443 1.00 0.25 C ATOM 1047 CE LYS B 9 12.583 4.854 6.017 1.00 0.68 C ATOM 1048 NZ LYS B 9 12.326 6.302 6.224 1.00 0.91 N ATOM 0 H LYS B 9 7.797 4.473 7.440 1.00 0.18 H new ATOM 0 HA LYS B 9 9.509 2.235 6.577 1.00 0.19 H new ATOM 0 HB2 LYS B 9 9.370 3.737 9.205 1.00 0.22 H new ATOM 0 HB3 LYS B 9 10.529 2.495 8.776 1.00 0.22 H new ATOM 0 HG2 LYS B 9 10.321 5.320 7.716 1.00 0.25 H new ATOM 0 HG3 LYS B 9 11.685 4.543 8.497 1.00 0.25 H new ATOM 0 HD2 LYS B 9 11.734 2.939 6.472 1.00 0.25 H new ATOM 0 HD3 LYS B 9 10.622 4.050 5.697 1.00 0.25 H new ATOM 0 HE2 LYS B 9 13.471 4.563 6.578 1.00 0.68 H new ATOM 0 HE3 LYS B 9 12.799 4.675 4.964 1.00 0.68 H new ATOM 0 HZ1 LYS B 9 13.077 6.857 5.765 1.00 0.91 H new ATOM 0 HZ2 LYS B 9 11.406 6.554 5.809 1.00 0.91 H new ATOM 0 HZ3 LYS B 9 12.315 6.510 7.243 1.00 0.91 H new ATOM 1062 N VAL B 10 8.130 0.469 7.649 1.00 0.18 N ATOM 1063 CA VAL B 10 7.306 -0.594 8.210 1.00 0.19 C ATOM 1064 C VAL B 10 7.470 -0.672 9.728 1.00 0.20 C ATOM 1065 O VAL B 10 8.557 -0.451 10.248 1.00 0.23 O ATOM 1066 CB VAL B 10 7.666 -1.955 7.559 1.00 0.21 C ATOM 1067 CG1 VAL B 10 7.213 -3.118 8.417 1.00 0.27 C ATOM 1068 CG2 VAL B 10 7.057 -2.061 6.171 1.00 0.25 C ATOM 0 H VAL B 10 8.799 0.153 6.946 1.00 0.18 H new ATOM 0 HA VAL B 10 6.263 -0.364 7.993 1.00 0.19 H new ATOM 0 HB VAL B 10 8.752 -2.001 7.474 1.00 0.21 H new ATOM 0 HG11 VAL B 10 7.482 -4.056 7.930 1.00 0.27 H new ATOM 0 HG12 VAL B 10 7.699 -3.063 9.391 1.00 0.27 H new ATOM 0 HG13 VAL B 10 6.132 -3.074 8.548 1.00 0.27 H new ATOM 0 HG21 VAL B 10 7.321 -3.023 5.730 1.00 0.25 H new ATOM 0 HG22 VAL B 10 5.972 -1.980 6.242 1.00 0.25 H new ATOM 0 HG23 VAL B 10 7.441 -1.257 5.543 1.00 0.25 H new ATOM 1078 N ASP B 11 6.374 -0.933 10.434 1.00 0.20 N ATOM 1079 CA ASP B 11 6.433 -1.175 11.872 1.00 0.21 C ATOM 1080 C ASP B 11 7.375 -2.334 12.173 1.00 0.22 C ATOM 1081 O ASP B 11 8.528 -2.125 12.543 1.00 0.25 O ATOM 1082 CB ASP B 11 5.043 -1.471 12.437 1.00 0.26 C ATOM 1083 CG ASP B 11 4.274 -0.212 12.792 1.00 1.13 C ATOM 1084 OD1 ASP B 11 4.781 0.589 13.604 1.00 1.86 O ATOM 1085 OD2 ASP B 11 3.154 -0.022 12.267 1.00 1.95 O ATOM 0 H ASP B 11 5.436 -0.982 10.035 1.00 0.20 H new ATOM 0 HA ASP B 11 6.812 -0.272 12.351 1.00 0.21 H new ATOM 0 HB2 ASP B 11 4.473 -2.046 11.707 1.00 0.26 H new ATOM 0 HB3 ASP B 11 5.142 -2.094 13.326 1.00 0.26 H new ATOM 1090 N GLU B 12 6.866 -3.549 12.022 1.00 0.25 N ATOM 1091 CA GLU B 12 7.686 -4.760 12.112 1.00 0.28 C ATOM 1092 C GLU B 12 7.115 -5.824 11.183 1.00 0.28 C ATOM 1093 O GLU B 12 7.825 -6.431 10.383 1.00 0.32 O ATOM 1094 CB GLU B 12 7.706 -5.321 13.539 1.00 0.31 C ATOM 1095 CG GLU B 12 8.192 -4.348 14.597 1.00 0.35 C ATOM 1096 CD GLU B 12 8.227 -4.975 15.970 1.00 0.38 C ATOM 1097 OE1 GLU B 12 7.154 -5.105 16.594 1.00 1.11 O ATOM 1098 OE2 GLU B 12 9.324 -5.365 16.422 1.00 1.20 O ATOM 0 H GLU B 12 5.879 -3.728 11.835 1.00 0.25 H new ATOM 0 HA GLU B 12 8.704 -4.497 11.825 1.00 0.28 H new ATOM 0 HB2 GLU B 12 6.699 -5.648 13.800 1.00 0.31 H new ATOM 0 HB3 GLU B 12 8.343 -6.205 13.558 1.00 0.31 H new ATOM 0 HG2 GLU B 12 9.189 -3.995 14.334 1.00 0.35 H new ATOM 0 HG3 GLU B 12 7.539 -3.475 14.614 1.00 0.35 H new ATOM 1105 N LEU B 13 5.811 -6.032 11.313 1.00 0.26 N ATOM 1106 CA LEU B 13 5.086 -7.041 10.549 1.00 0.25 C ATOM 1107 C LEU B 13 4.976 -6.658 9.078 1.00 0.21 C ATOM 1108 O LEU B 13 4.872 -7.516 8.204 1.00 0.24 O ATOM 1109 CB LEU B 13 3.675 -7.171 11.117 1.00 0.27 C ATOM 1110 CG LEU B 13 3.585 -7.296 12.634 1.00 0.32 C ATOM 1111 CD1 LEU B 13 2.171 -6.979 13.096 1.00 0.64 C ATOM 1112 CD2 LEU B 13 3.998 -8.692 13.074 1.00 0.62 C ATOM 0 H LEU B 13 5.222 -5.502 11.956 1.00 0.26 H new ATOM 0 HA LEU B 13 5.633 -7.981 10.625 1.00 0.25 H new ATOM 0 HB2 LEU B 13 3.096 -6.301 10.807 1.00 0.27 H new ATOM 0 HB3 LEU B 13 3.201 -8.045 10.670 1.00 0.27 H new ATOM 0 HG LEU B 13 4.268 -6.581 13.092 1.00 0.32 H new ATOM 0 HD11 LEU B 13 2.114 -7.070 14.181 1.00 0.64 H new ATOM 0 HD12 LEU B 13 1.912 -5.962 12.803 1.00 0.64 H new ATOM 0 HD13 LEU B 13 1.473 -7.678 12.636 1.00 0.64 H new ATOM 0 HD21 LEU B 13 3.929 -8.767 14.159 1.00 0.62 H new ATOM 0 HD22 LEU B 13 3.337 -9.428 12.617 1.00 0.62 H new ATOM 0 HD23 LEU B 13 5.025 -8.883 12.762 1.00 0.62 H new ATOM 1124 N GLY B 14 4.994 -5.365 8.822 1.00 0.17 N ATOM 1125 CA GLY B 14 4.726 -4.864 7.493 1.00 0.14 C ATOM 1126 C GLY B 14 3.681 -3.773 7.529 1.00 0.10 C ATOM 1127 O GLY B 14 3.293 -3.232 6.498 1.00 0.09 O ATOM 0 H GLY B 14 5.191 -4.645 9.517 1.00 0.17 H new ATOM 0 HA2 GLY B 14 5.646 -4.478 7.053 1.00 0.14 H new ATOM 0 HA3 GLY B 14 4.385 -5.679 6.855 1.00 0.14 H new ATOM 1131 N ARG B 15 3.230 -3.450 8.731 1.00 0.10 N ATOM 1132 CA ARG B 15 2.220 -2.422 8.915 1.00 0.10 C ATOM 1133 C ARG B 15 2.828 -1.045 8.670 1.00 0.09 C ATOM 1134 O ARG B 15 3.874 -0.718 9.228 1.00 0.12 O ATOM 1135 CB ARG B 15 1.639 -2.480 10.336 1.00 0.17 C ATOM 1136 CG ARG B 15 1.106 -3.849 10.741 1.00 0.23 C ATOM 1137 CD ARG B 15 0.204 -3.767 11.964 1.00 0.42 C ATOM 1138 NE ARG B 15 -1.112 -3.192 11.656 1.00 1.48 N ATOM 1139 CZ ARG B 15 -1.805 -2.428 12.506 1.00 1.80 C ATOM 1140 NH1 ARG B 15 -1.245 -2.012 13.634 1.00 1.45 N ATOM 1141 NH2 ARG B 15 -3.039 -2.038 12.206 1.00 2.89 N ATOM 0 H ARG B 15 3.549 -3.887 9.596 1.00 0.10 H new ATOM 0 HA ARG B 15 1.417 -2.599 8.199 1.00 0.10 H new ATOM 0 HB2 ARG B 15 2.411 -2.180 11.044 1.00 0.17 H new ATOM 0 HB3 ARG B 15 0.833 -1.751 10.416 1.00 0.17 H new ATOM 0 HG2 ARG B 15 0.551 -4.283 9.909 1.00 0.23 H new ATOM 0 HG3 ARG B 15 1.942 -4.517 10.950 1.00 0.23 H new ATOM 0 HD2 ARG B 15 0.072 -4.765 12.381 1.00 0.42 H new ATOM 0 HD3 ARG B 15 0.690 -3.163 12.730 1.00 0.42 H new ATOM 0 HE ARG B 15 -1.520 -3.387 10.742 1.00 1.48 H new ATOM 0 HH11 ARG B 15 -0.284 -2.275 13.854 1.00 1.45 H new ATOM 0 HH12 ARG B 15 -1.775 -1.429 14.282 1.00 1.45 H new ATOM 0 HH21 ARG B 15 -3.463 -2.322 11.323 1.00 2.89 H new ATOM 0 HH22 ARG B 15 -3.563 -1.455 12.859 1.00 2.89 H new ATOM 1155 N ILE B 16 2.190 -0.256 7.816 1.00 0.09 N ATOM 1156 CA ILE B 16 2.637 1.107 7.548 1.00 0.09 C ATOM 1157 C ILE B 16 1.424 2.033 7.541 1.00 0.09 C ATOM 1158 O ILE B 16 0.300 1.582 7.750 1.00 0.10 O ATOM 1159 CB ILE B 16 3.414 1.233 6.205 1.00 0.09 C ATOM 1160 CG1 ILE B 16 2.454 1.402 5.025 1.00 0.11 C ATOM 1161 CG2 ILE B 16 4.323 0.033 5.986 1.00 0.10 C ATOM 1162 CD1 ILE B 16 3.128 1.307 3.673 1.00 0.12 C ATOM 0 H ILE B 16 1.359 -0.536 7.295 1.00 0.09 H new ATOM 0 HA ILE B 16 3.332 1.392 8.338 1.00 0.09 H new ATOM 0 HB ILE B 16 4.036 2.126 6.266 1.00 0.09 H new ATOM 0 HG12 ILE B 16 1.677 0.640 5.088 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.959 2.369 5.107 1.00 0.11 H new ATOM 0 HG21 ILE B 16 4.854 0.146 5.041 1.00 0.10 H new ATOM 0 HG22 ILE B 16 5.043 -0.031 6.801 1.00 0.10 H new ATOM 0 HG23 ILE B 16 3.724 -0.877 5.959 1.00 0.10 H new ATOM 0 HD11 ILE B 16 2.385 1.436 2.886 1.00 0.12 H new ATOM 0 HD12 ILE B 16 3.885 2.086 3.589 1.00 0.12 H new ATOM 0 HD13 ILE B 16 3.600 0.330 3.569 1.00 0.12 H new ATOM 1174 N VAL B 17 1.635 3.314 7.293 1.00 0.09 N ATOM 1175 CA VAL B 17 0.544 4.273 7.352 1.00 0.09 C ATOM 1176 C VAL B 17 0.196 4.799 5.962 1.00 0.09 C ATOM 1177 O VAL B 17 0.980 5.510 5.327 1.00 0.13 O ATOM 1178 CB VAL B 17 0.847 5.446 8.326 1.00 0.10 C ATOM 1179 CG1 VAL B 17 2.213 6.060 8.061 1.00 0.12 C ATOM 1180 CG2 VAL B 17 -0.247 6.510 8.254 1.00 0.11 C ATOM 0 H VAL B 17 2.542 3.712 7.051 1.00 0.09 H new ATOM 0 HA VAL B 17 -0.323 3.742 7.744 1.00 0.09 H new ATOM 0 HB VAL B 17 0.862 5.035 9.335 1.00 0.10 H new ATOM 0 HG11 VAL B 17 2.387 6.876 8.762 1.00 0.12 H new ATOM 0 HG12 VAL B 17 2.984 5.301 8.189 1.00 0.12 H new ATOM 0 HG13 VAL B 17 2.248 6.444 7.041 1.00 0.12 H new ATOM 0 HG21 VAL B 17 -0.013 7.320 8.944 1.00 0.11 H new ATOM 0 HG22 VAL B 17 -0.306 6.903 7.239 1.00 0.11 H new ATOM 0 HG23 VAL B 17 -1.205 6.066 8.527 1.00 0.11 H new ATOM 1190 N MET B 18 -0.975 4.410 5.483 1.00 0.09 N ATOM 1191 CA MET B 18 -1.502 4.932 4.228 1.00 0.09 C ATOM 1192 C MET B 18 -2.133 6.286 4.508 1.00 0.08 C ATOM 1193 O MET B 18 -2.636 6.512 5.608 1.00 0.15 O ATOM 1194 CB MET B 18 -2.545 3.980 3.630 1.00 0.17 C ATOM 1195 CG MET B 18 -2.031 2.576 3.337 1.00 0.20 C ATOM 1196 SD MET B 18 -1.531 2.332 1.621 1.00 0.90 S ATOM 1197 CE MET B 18 -0.095 3.383 1.499 1.00 0.50 C ATOM 0 H MET B 18 -1.582 3.732 5.945 1.00 0.09 H new ATOM 0 HA MET B 18 -0.692 5.029 3.505 1.00 0.09 H new ATOM 0 HB2 MET B 18 -3.388 3.908 4.318 1.00 0.17 H new ATOM 0 HB3 MET B 18 -2.925 4.414 2.705 1.00 0.17 H new ATOM 0 HG2 MET B 18 -1.182 2.366 3.987 1.00 0.20 H new ATOM 0 HG3 MET B 18 -2.809 1.854 3.586 1.00 0.20 H new ATOM 0 HE1 MET B 18 0.580 2.990 0.739 1.00 0.50 H new ATOM 0 HE2 MET B 18 -0.404 4.391 1.223 1.00 0.50 H new ATOM 0 HE3 MET B 18 0.418 3.412 2.460 1.00 0.50 H new ATOM 1207 N PRO B 19 -2.114 7.215 3.549 1.00 0.09 N ATOM 1208 CA PRO B 19 -2.556 8.568 3.800 1.00 0.11 C ATOM 1209 C PRO B 19 -4.050 8.782 3.561 1.00 0.12 C ATOM 1210 O PRO B 19 -4.735 7.976 2.910 1.00 0.12 O ATOM 1211 CB PRO B 19 -1.717 9.375 2.815 1.00 0.14 C ATOM 1212 CG PRO B 19 -1.490 8.462 1.655 1.00 0.19 C ATOM 1213 CD PRO B 19 -1.667 7.041 2.156 1.00 0.14 C ATOM 0 HA PRO B 19 -2.426 8.853 4.844 1.00 0.11 H new ATOM 0 HB2 PRO B 19 -2.236 10.282 2.506 1.00 0.14 H new ATOM 0 HB3 PRO B 19 -0.773 9.685 3.263 1.00 0.14 H new ATOM 0 HG2 PRO B 19 -2.196 8.677 0.853 1.00 0.19 H new ATOM 0 HG3 PRO B 19 -0.490 8.603 1.245 1.00 0.19 H new ATOM 0 HD2 PRO B 19 -2.403 6.497 1.564 1.00 0.14 H new ATOM 0 HD3 PRO B 19 -0.735 6.478 2.102 1.00 0.14 H new ATOM 1221 N ILE B 20 -4.554 9.873 4.114 1.00 0.15 N ATOM 1222 CA ILE B 20 -5.918 10.305 3.879 1.00 0.17 C ATOM 1223 C ILE B 20 -6.190 10.420 2.385 1.00 0.16 C ATOM 1224 O ILE B 20 -7.304 10.193 1.935 1.00 0.17 O ATOM 1225 CB ILE B 20 -6.194 11.663 4.560 1.00 0.21 C ATOM 1226 CG1 ILE B 20 -7.566 12.215 4.149 1.00 0.25 C ATOM 1227 CG2 ILE B 20 -5.080 12.654 4.237 1.00 0.21 C ATOM 1228 CD1 ILE B 20 -8.734 11.517 4.806 1.00 0.27 C ATOM 0 H ILE B 20 -4.027 10.483 4.739 1.00 0.15 H new ATOM 0 HA ILE B 20 -6.583 9.556 4.310 1.00 0.17 H new ATOM 0 HB ILE B 20 -6.212 11.511 5.639 1.00 0.21 H new ATOM 0 HG12 ILE B 20 -7.607 13.276 4.393 1.00 0.25 H new ATOM 0 HG13 ILE B 20 -7.669 12.133 3.067 1.00 0.25 H new ATOM 0 HG21 ILE B 20 -5.288 13.607 4.724 1.00 0.21 H new ATOM 0 HG22 ILE B 20 -4.129 12.262 4.598 1.00 0.21 H new ATOM 0 HG23 ILE B 20 -5.026 12.802 3.158 1.00 0.21 H new ATOM 0 HD11 ILE B 20 -9.666 11.966 4.463 1.00 0.27 H new ATOM 0 HD12 ILE B 20 -8.722 10.460 4.541 1.00 0.27 H new ATOM 0 HD13 ILE B 20 -8.658 11.621 5.888 1.00 0.27 H new ATOM 1240 N GLU B 21 -5.153 10.743 1.623 1.00 0.16 N ATOM 1241 CA GLU B 21 -5.262 10.858 0.176 1.00 0.18 C ATOM 1242 C GLU B 21 -5.676 9.523 -0.427 1.00 0.14 C ATOM 1243 O GLU B 21 -6.351 9.480 -1.447 1.00 0.15 O ATOM 1244 CB GLU B 21 -3.932 11.320 -0.418 1.00 0.24 C ATOM 1245 CG GLU B 21 -2.968 11.845 0.638 1.00 0.22 C ATOM 1246 CD GLU B 21 -1.868 12.720 0.070 1.00 0.42 C ATOM 1247 OE1 GLU B 21 -2.041 13.263 -1.041 1.00 0.98 O ATOM 1248 OE2 GLU B 21 -0.823 12.874 0.741 1.00 1.23 O ATOM 0 H GLU B 21 -4.219 10.931 1.988 1.00 0.16 H new ATOM 0 HA GLU B 21 -6.025 11.599 -0.061 1.00 0.18 H new ATOM 0 HB2 GLU B 21 -3.467 10.489 -0.948 1.00 0.24 H new ATOM 0 HB3 GLU B 21 -4.119 12.102 -1.154 1.00 0.24 H new ATOM 0 HG2 GLU B 21 -3.528 12.415 1.379 1.00 0.22 H new ATOM 0 HG3 GLU B 21 -2.517 11.000 1.159 1.00 0.22 H new ATOM 1255 N LEU B 22 -5.298 8.438 0.241 1.00 0.13 N ATOM 1256 CA LEU B 22 -5.702 7.106 -0.175 1.00 0.13 C ATOM 1257 C LEU B 22 -7.152 6.866 0.202 1.00 0.14 C ATOM 1258 O LEU B 22 -7.930 6.320 -0.580 1.00 0.16 O ATOM 1259 CB LEU B 22 -4.797 6.037 0.460 1.00 0.13 C ATOM 1260 CG LEU B 22 -5.488 4.714 0.824 1.00 0.15 C ATOM 1261 CD1 LEU B 22 -4.598 3.533 0.478 1.00 0.15 C ATOM 1262 CD2 LEU B 22 -5.837 4.689 2.310 1.00 0.21 C ATOM 0 H LEU B 22 -4.711 8.459 1.075 1.00 0.13 H new ATOM 0 HA LEU B 22 -5.600 7.033 -1.258 1.00 0.13 H new ATOM 0 HB2 LEU B 22 -3.980 5.822 -0.229 1.00 0.13 H new ATOM 0 HB3 LEU B 22 -4.351 6.454 1.363 1.00 0.13 H new ATOM 0 HG LEU B 22 -6.408 4.637 0.244 1.00 0.15 H new ATOM 0 HD11 LEU B 22 -5.105 2.605 0.743 1.00 0.15 H new ATOM 0 HD12 LEU B 22 -4.386 3.538 -0.591 1.00 0.15 H new ATOM 0 HD13 LEU B 22 -3.663 3.607 1.033 1.00 0.15 H new ATOM 0 HD21 LEU B 22 -6.326 3.746 2.553 1.00 0.21 H new ATOM 0 HD22 LEU B 22 -4.926 4.788 2.900 1.00 0.21 H new ATOM 0 HD23 LEU B 22 -6.509 5.516 2.540 1.00 0.21 H new ATOM 1274 N ARG B 23 -7.508 7.281 1.408 1.00 0.16 N ATOM 1275 CA ARG B 23 -8.876 7.124 1.883 1.00 0.19 C ATOM 1276 C ARG B 23 -9.843 7.895 0.987 1.00 0.20 C ATOM 1277 O ARG B 23 -10.886 7.375 0.593 1.00 0.23 O ATOM 1278 CB ARG B 23 -8.991 7.581 3.343 1.00 0.24 C ATOM 1279 CG ARG B 23 -8.027 6.854 4.272 1.00 0.28 C ATOM 1280 CD ARG B 23 -8.358 7.077 5.742 1.00 0.52 C ATOM 1281 NE ARG B 23 -8.197 8.466 6.172 1.00 0.83 N ATOM 1282 CZ ARG B 23 -8.635 8.927 7.348 1.00 0.85 C ATOM 1283 NH1 ARG B 23 -9.301 8.131 8.170 1.00 0.78 N ATOM 1284 NH2 ARG B 23 -8.417 10.185 7.703 1.00 1.75 N ATOM 0 H ARG B 23 -6.875 7.726 2.072 1.00 0.16 H new ATOM 0 HA ARG B 23 -9.144 6.068 1.838 1.00 0.19 H new ATOM 0 HB2 ARG B 23 -8.801 8.653 3.398 1.00 0.24 H new ATOM 0 HB3 ARG B 23 -10.012 7.420 3.689 1.00 0.24 H new ATOM 0 HG2 ARG B 23 -8.053 5.786 4.055 1.00 0.28 H new ATOM 0 HG3 ARG B 23 -7.011 7.195 4.075 1.00 0.28 H new ATOM 0 HD2 ARG B 23 -9.386 6.765 5.926 1.00 0.52 H new ATOM 0 HD3 ARG B 23 -7.717 6.440 6.351 1.00 0.52 H new ATOM 0 HE ARG B 23 -7.726 9.116 5.542 1.00 0.83 H new ATOM 0 HH11 ARG B 23 -9.482 7.162 7.907 1.00 0.78 H new ATOM 0 HH12 ARG B 23 -9.633 8.487 9.066 1.00 0.78 H new ATOM 0 HH21 ARG B 23 -7.911 10.811 7.077 1.00 1.75 H new ATOM 0 HH22 ARG B 23 -8.755 10.527 8.602 1.00 1.75 H new ATOM 1298 N ARG B 24 -9.479 9.132 0.683 1.00 0.21 N ATOM 1299 CA ARG B 24 -10.225 9.973 -0.250 1.00 0.23 C ATOM 1300 C ARG B 24 -10.269 9.355 -1.640 1.00 0.22 C ATOM 1301 O ARG B 24 -11.332 9.286 -2.262 1.00 0.23 O ATOM 1302 CB ARG B 24 -9.576 11.357 -0.325 1.00 0.24 C ATOM 1303 CG ARG B 24 -9.568 12.085 0.994 1.00 0.28 C ATOM 1304 CD ARG B 24 -8.505 13.168 1.019 1.00 0.32 C ATOM 1305 NE ARG B 24 -8.617 14.113 -0.089 1.00 0.48 N ATOM 1306 CZ ARG B 24 -7.945 15.265 -0.143 1.00 0.71 C ATOM 1307 NH1 ARG B 24 -7.225 15.662 0.901 1.00 0.82 N ATOM 1308 NH2 ARG B 24 -8.006 16.022 -1.232 1.00 1.00 N ATOM 0 H ARG B 24 -8.655 9.585 1.077 1.00 0.21 H new ATOM 0 HA ARG B 24 -11.248 10.060 0.116 1.00 0.23 H new ATOM 0 HB2 ARG B 24 -8.551 11.251 -0.679 1.00 0.24 H new ATOM 0 HB3 ARG B 24 -10.107 11.960 -1.061 1.00 0.24 H new ATOM 0 HG2 ARG B 24 -10.547 12.529 1.173 1.00 0.28 H new ATOM 0 HG3 ARG B 24 -9.387 11.376 1.802 1.00 0.28 H new ATOM 0 HD2 ARG B 24 -8.573 13.713 1.961 1.00 0.32 H new ATOM 0 HD3 ARG B 24 -7.520 12.702 0.992 1.00 0.32 H new ATOM 0 HE ARG B 24 -9.241 13.881 -0.862 1.00 0.48 H new ATOM 0 HH11 ARG B 24 -7.186 15.087 1.742 1.00 0.82 H new ATOM 0 HH12 ARG B 24 -6.711 16.542 0.861 1.00 0.82 H new ATOM 0 HH21 ARG B 24 -8.567 15.724 -2.030 1.00 1.00 H new ATOM 0 HH22 ARG B 24 -7.492 16.902 -1.271 1.00 1.00 H new ATOM 1322 N ALA B 25 -9.104 8.936 -2.129 1.00 0.21 N ATOM 1323 CA ALA B 25 -8.981 8.291 -3.431 1.00 0.22 C ATOM 1324 C ALA B 25 -9.995 7.177 -3.613 1.00 0.23 C ATOM 1325 O ALA B 25 -10.738 7.142 -4.598 1.00 0.25 O ATOM 1326 CB ALA B 25 -7.589 7.698 -3.565 1.00 0.22 C ATOM 0 H ALA B 25 -8.219 9.035 -1.632 1.00 0.21 H new ATOM 0 HA ALA B 25 -9.163 9.050 -4.192 1.00 0.22 H new ATOM 0 HB1 ALA B 25 -7.492 7.214 -4.537 1.00 0.22 H new ATOM 0 HB2 ALA B 25 -6.846 8.491 -3.478 1.00 0.22 H new ATOM 0 HB3 ALA B 25 -7.429 6.963 -2.776 1.00 0.22 H new ATOM 1332 N LEU B 26 -10.026 6.280 -2.646 1.00 0.24 N ATOM 1333 CA LEU B 26 -10.830 5.083 -2.751 1.00 0.28 C ATOM 1334 C LEU B 26 -12.218 5.301 -2.161 1.00 0.30 C ATOM 1335 O LEU B 26 -13.141 5.728 -2.859 1.00 0.37 O ATOM 1336 CB LEU B 26 -10.135 3.924 -2.043 1.00 0.27 C ATOM 1337 CG LEU B 26 -8.677 3.686 -2.443 1.00 0.27 C ATOM 1338 CD1 LEU B 26 -8.079 2.543 -1.637 1.00 0.27 C ATOM 1339 CD2 LEU B 26 -8.574 3.395 -3.924 1.00 0.35 C ATOM 0 H LEU B 26 -9.500 6.361 -1.776 1.00 0.24 H new ATOM 0 HA LEU B 26 -10.945 4.841 -3.808 1.00 0.28 H new ATOM 0 HB2 LEU B 26 -10.174 4.102 -0.968 1.00 0.27 H new ATOM 0 HB3 LEU B 26 -10.700 3.012 -2.236 1.00 0.27 H new ATOM 0 HG LEU B 26 -8.112 4.593 -2.227 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -7.042 2.390 -1.937 1.00 0.27 H new ATOM 0 HD12 LEU B 26 -8.118 2.787 -0.575 1.00 0.27 H new ATOM 0 HD13 LEU B 26 -8.648 1.632 -1.821 1.00 0.27 H new ATOM 0 HD21 LEU B 26 -7.530 3.228 -4.190 1.00 0.35 H new ATOM 0 HD22 LEU B 26 -9.156 2.504 -4.161 1.00 0.35 H new ATOM 0 HD23 LEU B 26 -8.962 4.243 -4.489 1.00 0.35 H new ATOM 1351 N ASP B 27 -12.335 5.042 -0.865 1.00 0.32 N ATOM 1352 CA ASP B 27 -13.617 5.053 -0.162 1.00 0.36 C ATOM 1353 C ASP B 27 -13.396 4.538 1.255 1.00 0.42 C ATOM 1354 O ASP B 27 -14.052 3.608 1.708 1.00 0.75 O ATOM 1355 CB ASP B 27 -14.646 4.174 -0.898 1.00 0.45 C ATOM 1356 CG ASP B 27 -16.010 4.151 -0.234 1.00 0.91 C ATOM 1357 OD1 ASP B 27 -16.535 5.230 0.113 1.00 1.57 O ATOM 1358 OD2 ASP B 27 -16.568 3.045 -0.062 1.00 1.77 O ATOM 0 H ASP B 27 -11.540 4.817 -0.266 1.00 0.32 H new ATOM 0 HA ASP B 27 -14.010 6.069 -0.130 1.00 0.36 H new ATOM 0 HB2 ASP B 27 -14.755 4.535 -1.921 1.00 0.45 H new ATOM 0 HB3 ASP B 27 -14.264 3.155 -0.959 1.00 0.45 H new ATOM 1363 N ILE B 28 -12.422 5.126 1.939 1.00 0.28 N ATOM 1364 CA ILE B 28 -12.052 4.673 3.274 1.00 0.29 C ATOM 1365 C ILE B 28 -12.520 5.681 4.302 1.00 0.32 C ATOM 1366 O ILE B 28 -12.144 6.854 4.251 1.00 0.33 O ATOM 1367 CB ILE B 28 -10.523 4.443 3.437 1.00 0.30 C ATOM 1368 CG1 ILE B 28 -10.032 3.241 2.621 1.00 0.29 C ATOM 1369 CG2 ILE B 28 -10.173 4.230 4.905 1.00 0.38 C ATOM 1370 CD1 ILE B 28 -10.309 3.339 1.151 1.00 0.28 C ATOM 0 H ILE B 28 -11.876 5.915 1.593 1.00 0.28 H new ATOM 0 HA ILE B 28 -12.540 3.711 3.427 1.00 0.29 H new ATOM 0 HB ILE B 28 -10.024 5.336 3.061 1.00 0.30 H new ATOM 0 HG12 ILE B 28 -8.958 3.130 2.770 1.00 0.29 H new ATOM 0 HG13 ILE B 28 -10.503 2.337 3.008 1.00 0.29 H new ATOM 0 HG21 ILE B 28 -9.099 4.070 5.004 1.00 0.38 H new ATOM 0 HG22 ILE B 28 -10.463 5.110 5.480 1.00 0.38 H new ATOM 0 HG23 ILE B 28 -10.706 3.358 5.283 1.00 0.38 H new ATOM 0 HD11 ILE B 28 -9.930 2.449 0.649 1.00 0.28 H new ATOM 0 HD12 ILE B 28 -11.384 3.417 0.988 1.00 0.28 H new ATOM 0 HD13 ILE B 28 -9.815 4.222 0.746 1.00 0.28 H new ATOM 1382 N ALA B 29 -13.327 5.220 5.236 1.00 0.38 N ATOM 1383 CA ALA B 29 -13.957 6.101 6.191 1.00 0.40 C ATOM 1384 C ALA B 29 -13.145 6.204 7.469 1.00 0.39 C ATOM 1385 O ALA B 29 -12.820 7.295 7.938 1.00 0.47 O ATOM 1386 CB ALA B 29 -15.361 5.611 6.471 1.00 0.39 C ATOM 0 H ALA B 29 -13.561 4.234 5.352 1.00 0.38 H new ATOM 0 HA ALA B 29 -14.007 7.104 5.767 1.00 0.40 H new ATOM 0 HB1 ALA B 29 -15.841 6.273 7.192 1.00 0.39 H new ATOM 0 HB2 ALA B 29 -15.936 5.605 5.545 1.00 0.39 H new ATOM 0 HB3 ALA B 29 -15.319 4.601 6.878 1.00 0.39 H new ATOM 1392 N ILE B 30 -12.819 5.057 8.021 1.00 0.35 N ATOM 1393 CA ILE B 30 -11.999 4.982 9.220 1.00 0.36 C ATOM 1394 C ILE B 30 -11.176 3.708 9.170 1.00 0.37 C ATOM 1395 O ILE B 30 -10.023 3.683 9.589 1.00 0.47 O ATOM 1396 CB ILE B 30 -12.867 5.058 10.508 1.00 0.35 C ATOM 1397 CG1 ILE B 30 -12.001 5.068 11.783 1.00 0.39 C ATOM 1398 CG2 ILE B 30 -13.887 3.922 10.546 1.00 0.32 C ATOM 1399 CD1 ILE B 30 -11.668 3.698 12.340 1.00 0.39 C ATOM 0 H ILE B 30 -13.111 4.150 7.657 1.00 0.35 H new ATOM 0 HA ILE B 30 -11.327 5.839 9.254 1.00 0.36 H new ATOM 0 HB ILE B 30 -13.410 6.003 10.479 1.00 0.35 H new ATOM 0 HG12 ILE B 30 -11.070 5.593 11.568 1.00 0.39 H new ATOM 0 HG13 ILE B 30 -12.519 5.641 12.552 1.00 0.39 H new ATOM 0 HG21 ILE B 30 -14.482 3.997 11.456 1.00 0.32 H new ATOM 0 HG22 ILE B 30 -14.542 3.992 9.678 1.00 0.32 H new ATOM 0 HG23 ILE B 30 -13.366 2.965 10.531 1.00 0.32 H new ATOM 0 HD11 ILE B 30 -11.056 3.808 13.235 1.00 0.39 H new ATOM 0 HD12 ILE B 30 -12.590 3.174 12.592 1.00 0.39 H new ATOM 0 HD13 ILE B 30 -11.118 3.125 11.593 1.00 0.39 H new ATOM 1411 N LYS B 31 -11.778 2.663 8.628 1.00 0.30 N ATOM 1412 CA LYS B 31 -11.075 1.428 8.360 1.00 0.37 C ATOM 1413 C LYS B 31 -11.184 1.110 6.882 1.00 0.36 C ATOM 1414 O LYS B 31 -10.208 1.194 6.146 1.00 0.52 O ATOM 1415 CB LYS B 31 -11.654 0.273 9.187 1.00 0.40 C ATOM 1416 CG LYS B 31 -11.723 0.559 10.678 1.00 0.41 C ATOM 1417 CD LYS B 31 -11.894 -0.717 11.487 1.00 0.32 C ATOM 1418 CE LYS B 31 -10.661 -1.601 11.389 1.00 0.33 C ATOM 1419 NZ LYS B 31 -10.805 -2.850 12.178 1.00 0.39 N ATOM 0 H LYS B 31 -12.763 2.650 8.364 1.00 0.30 H new ATOM 0 HA LYS B 31 -10.029 1.550 8.640 1.00 0.37 H new ATOM 0 HB2 LYS B 31 -12.656 0.045 8.824 1.00 0.40 H new ATOM 0 HB3 LYS B 31 -11.046 -0.617 9.025 1.00 0.40 H new ATOM 0 HG2 LYS B 31 -10.814 1.071 10.993 1.00 0.41 H new ATOM 0 HG3 LYS B 31 -12.555 1.233 10.881 1.00 0.41 H new ATOM 0 HD2 LYS B 31 -12.082 -0.466 12.531 1.00 0.32 H new ATOM 0 HD3 LYS B 31 -12.766 -1.264 11.128 1.00 0.32 H new ATOM 0 HE2 LYS B 31 -10.478 -1.852 10.344 1.00 0.33 H new ATOM 0 HE3 LYS B 31 -9.790 -1.048 11.742 1.00 0.33 H new ATOM 0 HZ1 LYS B 31 -9.942 -3.422 12.083 1.00 0.39 H new ATOM 0 HZ2 LYS B 31 -10.954 -2.613 13.180 1.00 0.39 H new ATOM 0 HZ3 LYS B 31 -11.620 -3.391 11.825 1.00 0.39 H new ATOM 1433 N ASP B 32 -12.412 0.840 6.462 1.00 0.24 N ATOM 1434 CA ASP B 32 -12.735 0.381 5.110 1.00 0.23 C ATOM 1435 C ASP B 32 -11.758 -0.638 4.506 1.00 0.34 C ATOM 1436 O ASP B 32 -10.782 -1.062 5.116 1.00 0.82 O ATOM 1437 CB ASP B 32 -12.925 1.573 4.185 1.00 0.26 C ATOM 1438 CG ASP B 32 -14.375 1.989 4.159 1.00 1.12 C ATOM 1439 OD1 ASP B 32 -15.175 1.343 3.454 1.00 1.83 O ATOM 1440 OD2 ASP B 32 -14.732 2.931 4.893 1.00 1.79 O ATOM 0 H ASP B 32 -13.232 0.935 7.061 1.00 0.24 H new ATOM 0 HA ASP B 32 -13.669 -0.172 5.210 1.00 0.23 H new ATOM 0 HB2 ASP B 32 -12.307 2.405 4.521 1.00 0.26 H new ATOM 0 HB3 ASP B 32 -12.595 1.317 3.178 1.00 0.26 H new ATOM 1445 N SER B 33 -12.096 -1.068 3.305 1.00 0.23 N ATOM 1446 CA SER B 33 -11.363 -2.108 2.598 1.00 0.17 C ATOM 1447 C SER B 33 -10.224 -1.560 1.745 1.00 0.17 C ATOM 1448 O SER B 33 -10.401 -0.583 1.028 1.00 0.24 O ATOM 1449 CB SER B 33 -12.332 -2.814 1.661 1.00 0.18 C ATOM 1450 OG SER B 33 -13.429 -3.373 2.361 1.00 0.22 O ATOM 0 H SER B 33 -12.894 -0.703 2.785 1.00 0.23 H new ATOM 0 HA SER B 33 -10.935 -2.772 3.349 1.00 0.17 H new ATOM 0 HB2 SER B 33 -12.698 -2.107 0.917 1.00 0.18 H new ATOM 0 HB3 SER B 33 -11.806 -3.601 1.121 1.00 0.18 H new ATOM 0 HG SER B 33 -14.030 -3.816 1.727 1.00 0.22 H new ATOM 1456 N ILE B 34 -9.058 -2.197 1.813 1.00 0.15 N ATOM 1457 CA ILE B 34 -8.022 -1.969 0.812 1.00 0.16 C ATOM 1458 C ILE B 34 -7.356 -3.297 0.451 1.00 0.14 C ATOM 1459 O ILE B 34 -6.797 -3.960 1.312 1.00 0.14 O ATOM 1460 CB ILE B 34 -6.921 -0.980 1.274 1.00 0.22 C ATOM 1461 CG1 ILE B 34 -7.494 0.250 1.990 1.00 0.25 C ATOM 1462 CG2 ILE B 34 -6.109 -0.528 0.076 1.00 0.32 C ATOM 1463 CD1 ILE B 34 -7.719 0.047 3.473 1.00 0.40 C ATOM 0 H ILE B 34 -8.809 -2.867 2.541 1.00 0.15 H new ATOM 0 HA ILE B 34 -8.523 -1.524 -0.048 1.00 0.16 H new ATOM 0 HB ILE B 34 -6.291 -1.511 1.988 1.00 0.22 H new ATOM 0 HG12 ILE B 34 -6.815 1.090 1.847 1.00 0.25 H new ATOM 0 HG13 ILE B 34 -8.440 0.522 1.523 1.00 0.25 H new ATOM 0 HG21 ILE B 34 -5.335 0.167 0.402 1.00 0.32 H new ATOM 0 HG22 ILE B 34 -5.644 -1.394 -0.396 1.00 0.32 H new ATOM 0 HG23 ILE B 34 -6.763 -0.032 -0.641 1.00 0.32 H new ATOM 0 HD11 ILE B 34 -8.125 0.960 3.908 1.00 0.40 H new ATOM 0 HD12 ILE B 34 -8.422 -0.772 3.626 1.00 0.40 H new ATOM 0 HD13 ILE B 34 -6.772 -0.194 3.955 1.00 0.40 H new ATOM 1475 N GLU B 35 -7.403 -3.670 -0.822 1.00 0.14 N ATOM 1476 CA GLU B 35 -6.849 -4.945 -1.280 1.00 0.13 C ATOM 1477 C GLU B 35 -5.647 -4.672 -2.174 1.00 0.12 C ATOM 1478 O GLU B 35 -5.699 -3.784 -3.031 1.00 0.15 O ATOM 1479 CB GLU B 35 -7.906 -5.764 -2.039 1.00 0.18 C ATOM 1480 CG GLU B 35 -7.380 -7.089 -2.582 1.00 0.27 C ATOM 1481 CD GLU B 35 -8.424 -7.891 -3.345 1.00 0.49 C ATOM 1482 OE1 GLU B 35 -9.419 -7.297 -3.819 1.00 1.24 O ATOM 1483 OE2 GLU B 35 -8.234 -9.119 -3.504 1.00 1.21 O ATOM 0 H GLU B 35 -7.821 -3.106 -1.562 1.00 0.14 H new ATOM 0 HA GLU B 35 -6.537 -5.529 -0.414 1.00 0.13 H new ATOM 0 HB2 GLU B 35 -8.746 -5.962 -1.374 1.00 0.18 H new ATOM 0 HB3 GLU B 35 -8.289 -5.168 -2.867 1.00 0.18 H new ATOM 0 HG2 GLU B 35 -6.533 -6.892 -3.239 1.00 0.27 H new ATOM 0 HG3 GLU B 35 -7.007 -7.690 -1.753 1.00 0.27 H new ATOM 1490 N PHE B 36 -4.557 -5.413 -1.972 1.00 0.11 N ATOM 1491 CA PHE B 36 -3.325 -5.103 -2.697 1.00 0.11 C ATOM 1492 C PHE B 36 -2.906 -6.181 -3.705 1.00 0.13 C ATOM 1493 O PHE B 36 -3.244 -7.366 -3.594 1.00 0.15 O ATOM 1494 CB PHE B 36 -2.149 -4.777 -1.755 1.00 0.13 C ATOM 1495 CG PHE B 36 -2.462 -4.848 -0.287 1.00 0.17 C ATOM 1496 CD1 PHE B 36 -3.335 -3.942 0.299 1.00 1.22 C ATOM 1497 CD2 PHE B 36 -1.870 -5.809 0.509 1.00 1.14 C ATOM 1498 CE1 PHE B 36 -3.612 -4.002 1.647 1.00 1.29 C ATOM 1499 CE2 PHE B 36 -2.140 -5.871 1.860 1.00 1.13 C ATOM 1500 CZ PHE B 36 -3.012 -4.967 2.429 1.00 0.37 C ATOM 0 H PHE B 36 -4.500 -6.207 -1.334 1.00 0.11 H new ATOM 0 HA PHE B 36 -3.571 -4.208 -3.269 1.00 0.11 H new ATOM 0 HB2 PHE B 36 -1.332 -5.466 -1.969 1.00 0.13 H new ATOM 0 HB3 PHE B 36 -1.789 -3.774 -1.985 1.00 0.13 H new ATOM 0 HD1 PHE B 36 -3.802 -3.181 -0.309 1.00 1.22 H new ATOM 0 HD2 PHE B 36 -1.187 -6.520 0.068 1.00 1.14 H new ATOM 0 HE1 PHE B 36 -4.297 -3.295 2.091 1.00 1.29 H new ATOM 0 HE2 PHE B 36 -1.669 -6.627 2.471 1.00 1.13 H new ATOM 0 HZ PHE B 36 -3.225 -5.014 3.487 1.00 0.37 H new ATOM 1510 N PHE B 37 -2.158 -5.702 -4.689 1.00 0.15 N ATOM 1511 CA PHE B 37 -1.631 -6.470 -5.809 1.00 0.17 C ATOM 1512 C PHE B 37 -0.133 -6.214 -5.870 1.00 0.15 C ATOM 1513 O PHE B 37 0.345 -5.240 -5.295 1.00 0.16 O ATOM 1514 CB PHE B 37 -2.328 -5.967 -7.086 1.00 0.21 C ATOM 1515 CG PHE B 37 -2.099 -6.768 -8.341 1.00 0.24 C ATOM 1516 CD1 PHE B 37 -1.014 -6.508 -9.163 1.00 1.22 C ATOM 1517 CD2 PHE B 37 -2.994 -7.759 -8.715 1.00 1.17 C ATOM 1518 CE1 PHE B 37 -0.821 -7.229 -10.327 1.00 1.22 C ATOM 1519 CE2 PHE B 37 -2.809 -8.479 -9.881 1.00 1.21 C ATOM 1520 CZ PHE B 37 -1.720 -8.214 -10.687 1.00 0.36 C ATOM 0 H PHE B 37 -1.889 -4.719 -4.730 1.00 0.15 H new ATOM 0 HA PHE B 37 -1.809 -7.540 -5.703 1.00 0.17 H new ATOM 0 HB2 PHE B 37 -3.401 -5.931 -6.896 1.00 0.21 H new ATOM 0 HB3 PHE B 37 -2.002 -4.943 -7.271 1.00 0.21 H new ATOM 0 HD1 PHE B 37 -0.312 -5.734 -8.892 1.00 1.22 H new ATOM 0 HD2 PHE B 37 -3.847 -7.971 -8.087 1.00 1.17 H new ATOM 0 HE1 PHE B 37 0.033 -7.022 -10.955 1.00 1.22 H new ATOM 0 HE2 PHE B 37 -3.515 -9.247 -10.161 1.00 1.21 H new ATOM 0 HZ PHE B 37 -1.571 -8.776 -11.597 1.00 0.36 H new ATOM 1530 N VAL B 38 0.603 -7.082 -6.520 1.00 0.18 N ATOM 1531 CA VAL B 38 2.035 -6.872 -6.679 1.00 0.18 C ATOM 1532 C VAL B 38 2.431 -6.959 -8.146 1.00 0.24 C ATOM 1533 O VAL B 38 2.060 -7.895 -8.856 1.00 0.30 O ATOM 1534 CB VAL B 38 2.869 -7.849 -5.818 1.00 0.24 C ATOM 1535 CG1 VAL B 38 2.506 -9.298 -6.102 1.00 0.34 C ATOM 1536 CG2 VAL B 38 4.361 -7.625 -6.025 1.00 0.25 C ATOM 0 H VAL B 38 0.245 -7.936 -6.947 1.00 0.18 H new ATOM 0 HA VAL B 38 2.257 -5.867 -6.320 1.00 0.18 H new ATOM 0 HB VAL B 38 2.630 -7.643 -4.775 1.00 0.24 H new ATOM 0 HG11 VAL B 38 3.113 -9.954 -5.478 1.00 0.34 H new ATOM 0 HG12 VAL B 38 1.451 -9.459 -5.879 1.00 0.34 H new ATOM 0 HG13 VAL B 38 2.693 -9.521 -7.152 1.00 0.34 H new ATOM 0 HG21 VAL B 38 4.923 -8.325 -5.407 1.00 0.25 H new ATOM 0 HG22 VAL B 38 4.611 -7.785 -7.074 1.00 0.25 H new ATOM 0 HG23 VAL B 38 4.618 -6.604 -5.742 1.00 0.25 H new ATOM 1546 N ASP B 39 3.168 -5.962 -8.594 1.00 0.27 N ATOM 1547 CA ASP B 39 3.527 -5.837 -10.000 1.00 0.34 C ATOM 1548 C ASP B 39 5.035 -5.707 -10.150 1.00 0.35 C ATOM 1549 O ASP B 39 5.584 -4.612 -10.058 1.00 0.30 O ATOM 1550 CB ASP B 39 2.810 -4.621 -10.606 1.00 0.35 C ATOM 1551 CG ASP B 39 3.256 -4.292 -12.019 1.00 0.52 C ATOM 1552 OD1 ASP B 39 3.034 -5.121 -12.924 1.00 1.08 O ATOM 1553 OD2 ASP B 39 3.820 -3.196 -12.233 1.00 1.35 O ATOM 0 H ASP B 39 3.535 -5.218 -8.001 1.00 0.27 H new ATOM 0 HA ASP B 39 3.212 -6.733 -10.535 1.00 0.34 H new ATOM 0 HB2 ASP B 39 1.736 -4.807 -10.607 1.00 0.35 H new ATOM 0 HB3 ASP B 39 2.982 -3.754 -9.969 1.00 0.35 H new ATOM 1558 N GLY B 40 5.700 -6.834 -10.359 1.00 0.43 N ATOM 1559 CA GLY B 40 7.149 -6.845 -10.450 1.00 0.48 C ATOM 1560 C GLY B 40 7.807 -6.451 -9.142 1.00 0.42 C ATOM 1561 O GLY B 40 8.062 -7.297 -8.283 1.00 0.47 O ATOM 0 H GLY B 40 5.260 -7.748 -10.468 1.00 0.43 H new ATOM 0 HA2 GLY B 40 7.486 -7.841 -10.739 1.00 0.48 H new ATOM 0 HA3 GLY B 40 7.467 -6.160 -11.236 1.00 0.48 H new ATOM 1565 N ASP B 41 8.054 -5.156 -8.991 1.00 0.34 N ATOM 1566 CA ASP B 41 8.661 -4.607 -7.783 1.00 0.31 C ATOM 1567 C ASP B 41 7.729 -3.563 -7.201 1.00 0.22 C ATOM 1568 O ASP B 41 8.137 -2.699 -6.432 1.00 0.26 O ATOM 1569 CB ASP B 41 10.010 -3.951 -8.095 1.00 0.38 C ATOM 1570 CG ASP B 41 10.908 -4.818 -8.945 1.00 1.04 C ATOM 1571 OD1 ASP B 41 11.549 -5.741 -8.404 1.00 1.74 O ATOM 1572 OD2 ASP B 41 10.983 -4.577 -10.169 1.00 1.81 O ATOM 0 H ASP B 41 7.840 -4.456 -9.701 1.00 0.34 H new ATOM 0 HA ASP B 41 8.826 -5.418 -7.074 1.00 0.31 H new ATOM 0 HB2 ASP B 41 9.837 -3.005 -8.608 1.00 0.38 H new ATOM 0 HB3 ASP B 41 10.519 -3.718 -7.160 1.00 0.38 H new ATOM 1577 N LYS B 42 6.474 -3.648 -7.592 1.00 0.18 N ATOM 1578 CA LYS B 42 5.482 -2.656 -7.238 1.00 0.13 C ATOM 1579 C LYS B 42 4.344 -3.275 -6.436 1.00 0.11 C ATOM 1580 O LYS B 42 4.099 -4.475 -6.509 1.00 0.15 O ATOM 1581 CB LYS B 42 4.938 -2.039 -8.524 1.00 0.12 C ATOM 1582 CG LYS B 42 3.582 -1.381 -8.375 1.00 0.14 C ATOM 1583 CD LYS B 42 2.980 -1.050 -9.730 1.00 0.33 C ATOM 1584 CE LYS B 42 3.970 -0.340 -10.637 1.00 0.75 C ATOM 1585 NZ LYS B 42 3.562 -0.432 -12.060 1.00 0.55 N ATOM 0 H LYS B 42 6.113 -4.410 -8.166 1.00 0.18 H new ATOM 0 HA LYS B 42 5.946 -1.892 -6.615 1.00 0.13 H new ATOM 0 HB2 LYS B 42 5.650 -1.298 -8.887 1.00 0.12 H new ATOM 0 HB3 LYS B 42 4.870 -2.816 -9.285 1.00 0.12 H new ATOM 0 HG2 LYS B 42 2.911 -2.044 -7.828 1.00 0.14 H new ATOM 0 HG3 LYS B 42 3.680 -0.470 -7.785 1.00 0.14 H new ATOM 0 HD2 LYS B 42 2.643 -1.968 -10.211 1.00 0.33 H new ATOM 0 HD3 LYS B 42 2.100 -0.421 -9.592 1.00 0.33 H new ATOM 0 HE2 LYS B 42 4.046 0.708 -10.346 1.00 0.75 H new ATOM 0 HE3 LYS B 42 4.960 -0.779 -10.512 1.00 0.75 H new ATOM 0 HZ1 LYS B 42 4.211 0.133 -12.644 1.00 0.55 H new ATOM 0 HZ2 LYS B 42 3.595 -1.425 -12.367 1.00 0.55 H new ATOM 0 HZ3 LYS B 42 2.594 -0.068 -12.168 1.00 0.55 H new ATOM 1599 N ILE B 43 3.660 -2.438 -5.682 1.00 0.09 N ATOM 1600 CA ILE B 43 2.470 -2.838 -4.956 1.00 0.08 C ATOM 1601 C ILE B 43 1.297 -1.978 -5.427 1.00 0.06 C ATOM 1602 O ILE B 43 1.477 -0.804 -5.737 1.00 0.07 O ATOM 1603 CB ILE B 43 2.677 -2.696 -3.427 1.00 0.09 C ATOM 1604 CG1 ILE B 43 3.704 -3.717 -2.910 1.00 0.15 C ATOM 1605 CG2 ILE B 43 1.363 -2.830 -2.676 1.00 0.10 C ATOM 1606 CD1 ILE B 43 3.241 -5.159 -2.996 1.00 0.22 C ATOM 0 H ILE B 43 3.914 -1.458 -5.555 1.00 0.09 H new ATOM 0 HA ILE B 43 2.259 -3.888 -5.157 1.00 0.08 H new ATOM 0 HB ILE B 43 3.069 -1.696 -3.242 1.00 0.09 H new ATOM 0 HG12 ILE B 43 4.627 -3.608 -3.480 1.00 0.15 H new ATOM 0 HG13 ILE B 43 3.941 -3.484 -1.872 1.00 0.15 H new ATOM 0 HG21 ILE B 43 1.543 -2.726 -1.606 1.00 0.10 H new ATOM 0 HG22 ILE B 43 0.675 -2.052 -3.006 1.00 0.10 H new ATOM 0 HG23 ILE B 43 0.927 -3.809 -2.877 1.00 0.10 H new ATOM 0 HD11 ILE B 43 4.022 -5.815 -2.612 1.00 0.22 H new ATOM 0 HD12 ILE B 43 2.336 -5.286 -2.402 1.00 0.22 H new ATOM 0 HD13 ILE B 43 3.032 -5.413 -4.035 1.00 0.22 H new ATOM 1618 N ILE B 44 0.120 -2.567 -5.512 1.00 0.07 N ATOM 1619 CA ILE B 44 -1.058 -1.883 -6.037 1.00 0.08 C ATOM 1620 C ILE B 44 -2.218 -2.017 -5.059 1.00 0.10 C ATOM 1621 O ILE B 44 -2.526 -3.114 -4.628 1.00 0.20 O ATOM 1622 CB ILE B 44 -1.477 -2.483 -7.399 1.00 0.11 C ATOM 1623 CG1 ILE B 44 -0.314 -2.406 -8.396 1.00 0.10 C ATOM 1624 CG2 ILE B 44 -2.708 -1.777 -7.948 1.00 0.16 C ATOM 1625 CD1 ILE B 44 -0.642 -2.960 -9.767 1.00 0.14 C ATOM 0 H ILE B 44 -0.052 -3.530 -5.222 1.00 0.07 H new ATOM 0 HA ILE B 44 -0.807 -0.831 -6.172 1.00 0.08 H new ATOM 0 HB ILE B 44 -1.733 -3.532 -7.248 1.00 0.11 H new ATOM 0 HG12 ILE B 44 -0.006 -1.366 -8.500 1.00 0.10 H new ATOM 0 HG13 ILE B 44 0.537 -2.952 -7.989 1.00 0.10 H new ATOM 0 HG21 ILE B 44 -2.983 -2.217 -8.907 1.00 0.16 H new ATOM 0 HG22 ILE B 44 -3.535 -1.889 -7.247 1.00 0.16 H new ATOM 0 HG23 ILE B 44 -2.489 -0.718 -8.085 1.00 0.16 H new ATOM 0 HD11 ILE B 44 0.230 -2.870 -10.414 1.00 0.14 H new ATOM 0 HD12 ILE B 44 -0.921 -4.010 -9.678 1.00 0.14 H new ATOM 0 HD13 ILE B 44 -1.472 -2.399 -10.197 1.00 0.14 H new ATOM 1637 N LEU B 45 -2.870 -0.920 -4.711 1.00 0.08 N ATOM 1638 CA LEU B 45 -3.951 -0.972 -3.738 1.00 0.09 C ATOM 1639 C LEU B 45 -5.242 -0.439 -4.330 1.00 0.12 C ATOM 1640 O LEU B 45 -5.227 0.517 -5.106 1.00 0.19 O ATOM 1641 CB LEU B 45 -3.605 -0.176 -2.472 1.00 0.13 C ATOM 1642 CG LEU B 45 -2.715 -0.895 -1.455 1.00 0.16 C ATOM 1643 CD1 LEU B 45 -1.294 -1.021 -1.963 1.00 0.13 C ATOM 1644 CD2 LEU B 45 -2.736 -0.172 -0.122 1.00 0.26 C ATOM 0 H LEU B 45 -2.673 0.009 -5.083 1.00 0.08 H new ATOM 0 HA LEU B 45 -4.086 -2.019 -3.467 1.00 0.09 H new ATOM 0 HB2 LEU B 45 -3.110 0.748 -2.771 1.00 0.13 H new ATOM 0 HB3 LEU B 45 -4.535 0.106 -1.978 1.00 0.13 H new ATOM 0 HG LEU B 45 -3.114 -1.899 -1.314 1.00 0.16 H new ATOM 0 HD11 LEU B 45 -0.686 -1.536 -1.219 1.00 0.13 H new ATOM 0 HD12 LEU B 45 -1.289 -1.590 -2.893 1.00 0.13 H new ATOM 0 HD13 LEU B 45 -0.883 -0.028 -2.144 1.00 0.13 H new ATOM 0 HD21 LEU B 45 -2.097 -0.698 0.587 1.00 0.26 H new ATOM 0 HD22 LEU B 45 -2.369 0.846 -0.254 1.00 0.26 H new ATOM 0 HD23 LEU B 45 -3.756 -0.143 0.260 1.00 0.26 H new ATOM 1656 N LYS B 46 -6.349 -1.077 -3.973 1.00 0.11 N ATOM 1657 CA LYS B 46 -7.673 -0.617 -4.378 1.00 0.19 C ATOM 1658 C LYS B 46 -8.714 -1.098 -3.373 1.00 0.19 C ATOM 1659 O LYS B 46 -8.544 -2.146 -2.752 1.00 0.34 O ATOM 1660 CB LYS B 46 -7.999 -1.095 -5.807 1.00 0.40 C ATOM 1661 CG LYS B 46 -8.018 -2.611 -5.986 1.00 0.92 C ATOM 1662 CD LYS B 46 -9.376 -3.200 -5.634 1.00 0.98 C ATOM 1663 CE LYS B 46 -9.339 -4.714 -5.576 1.00 0.88 C ATOM 1664 NZ LYS B 46 -10.641 -5.274 -5.130 1.00 1.20 N ATOM 0 H LYS B 46 -6.357 -1.921 -3.400 1.00 0.11 H new ATOM 0 HA LYS B 46 -7.688 0.473 -4.389 1.00 0.19 H new ATOM 0 HB2 LYS B 46 -8.972 -0.697 -6.095 1.00 0.40 H new ATOM 0 HB3 LYS B 46 -7.265 -0.671 -6.493 1.00 0.40 H new ATOM 0 HG2 LYS B 46 -7.770 -2.859 -7.018 1.00 0.92 H new ATOM 0 HG3 LYS B 46 -7.251 -3.062 -5.356 1.00 0.92 H new ATOM 0 HD2 LYS B 46 -9.703 -2.808 -4.671 1.00 0.98 H new ATOM 0 HD3 LYS B 46 -10.112 -2.883 -6.373 1.00 0.98 H new ATOM 0 HE2 LYS B 46 -9.089 -5.111 -6.560 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -8.551 -5.034 -4.894 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -10.478 -5.980 -4.384 1.00 1.20 H new ATOM 0 HZ2 LYS B 46 -11.239 -4.509 -4.758 1.00 1.20 H new ATOM 0 HZ3 LYS B 46 -11.119 -5.726 -5.936 1.00 1.20 H new ATOM 1678 N LYS B 47 -9.773 -0.324 -3.197 1.00 0.16 N ATOM 1679 CA LYS B 47 -10.834 -0.677 -2.253 1.00 0.18 C ATOM 1680 C LYS B 47 -11.597 -1.892 -2.777 1.00 0.21 C ATOM 1681 O LYS B 47 -11.706 -2.085 -3.983 1.00 0.28 O ATOM 1682 CB LYS B 47 -11.775 0.518 -2.040 1.00 0.25 C ATOM 1683 CG LYS B 47 -12.470 0.559 -0.677 1.00 0.27 C ATOM 1684 CD LYS B 47 -13.822 -0.126 -0.680 1.00 0.32 C ATOM 1685 CE LYS B 47 -14.629 0.279 0.545 1.00 0.42 C ATOM 1686 NZ LYS B 47 -16.021 -0.235 0.494 1.00 0.76 N ATOM 0 H LYS B 47 -9.925 0.554 -3.693 1.00 0.16 H new ATOM 0 HA LYS B 47 -10.394 -0.931 -1.289 1.00 0.18 H new ATOM 0 HB2 LYS B 47 -11.204 1.438 -2.168 1.00 0.25 H new ATOM 0 HB3 LYS B 47 -12.537 0.505 -2.819 1.00 0.25 H new ATOM 0 HG2 LYS B 47 -11.830 0.083 0.066 1.00 0.27 H new ATOM 0 HG3 LYS B 47 -12.596 1.597 -0.371 1.00 0.27 H new ATOM 0 HD2 LYS B 47 -14.368 0.138 -1.586 1.00 0.32 H new ATOM 0 HD3 LYS B 47 -13.688 -1.208 -0.693 1.00 0.32 H new ATOM 0 HE2 LYS B 47 -14.137 -0.097 1.442 1.00 0.42 H new ATOM 0 HE3 LYS B 47 -14.647 1.366 0.623 1.00 0.42 H new ATOM 0 HZ1 LYS B 47 -16.533 0.065 1.348 1.00 0.76 H new ATOM 0 HZ2 LYS B 47 -16.500 0.143 -0.348 1.00 0.76 H new ATOM 0 HZ3 LYS B 47 -16.006 -1.274 0.446 1.00 0.76 H new ATOM 1700 N TYR B 48 -12.110 -2.707 -1.865 1.00 0.20 N ATOM 1701 CA TYR B 48 -12.707 -3.999 -2.213 1.00 0.25 C ATOM 1702 C TYR B 48 -13.852 -3.853 -3.219 1.00 0.35 C ATOM 1703 O TYR B 48 -13.835 -4.486 -4.274 1.00 0.38 O ATOM 1704 CB TYR B 48 -13.205 -4.694 -0.947 1.00 0.33 C ATOM 1705 CG TYR B 48 -13.467 -6.175 -1.108 1.00 0.41 C ATOM 1706 CD1 TYR B 48 -12.434 -7.093 -0.967 1.00 1.05 C ATOM 1707 CD2 TYR B 48 -14.743 -6.654 -1.379 1.00 1.30 C ATOM 1708 CE1 TYR B 48 -12.663 -8.449 -1.095 1.00 1.08 C ATOM 1709 CE2 TYR B 48 -14.980 -8.010 -1.505 1.00 1.37 C ATOM 1710 CZ TYR B 48 -13.937 -8.902 -1.362 1.00 0.63 C ATOM 1711 OH TYR B 48 -14.169 -10.255 -1.481 1.00 0.76 O ATOM 0 H TYR B 48 -12.126 -2.497 -0.867 1.00 0.20 H new ATOM 0 HA TYR B 48 -11.935 -4.604 -2.687 1.00 0.25 H new ATOM 0 HB2 TYR B 48 -12.469 -4.552 -0.156 1.00 0.33 H new ATOM 0 HB3 TYR B 48 -14.124 -4.209 -0.618 1.00 0.33 H new ATOM 0 HD1 TYR B 48 -11.436 -6.741 -0.754 1.00 1.05 H new ATOM 0 HD2 TYR B 48 -15.561 -5.957 -1.493 1.00 1.30 H new ATOM 0 HE1 TYR B 48 -11.849 -9.150 -0.987 1.00 1.08 H new ATOM 0 HE2 TYR B 48 -15.977 -8.370 -1.714 1.00 1.37 H new ATOM 0 HH TYR B 48 -15.118 -10.409 -1.669 1.00 0.76 H new