USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 853 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 13 HIS :FLIP no HD1:sc= -5.27! C(o=-5.8!,f=-5.3!) USER MOD Single : A 16 SER OG : rot 81:sc= 1.19 USER MOD Single : A 31 GLN : amide:sc= -1.66! C(o=-1.7!,f=-6.7!) USER MOD Single : A 37 MET CE :methyl -162:sc= -3.73! (180deg=-4.75!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00182 USER MOD Single : A 42 GLN :FLIP amide:sc= -1.18 F(o=-5.8!,f=-1.2) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= 0.628 K(o=0.63,f=-3.9!) USER MOD Single : A 58 GLN : amide:sc= -0.813 K(o=-0.81,f=-2) USER MOD Single : A 60 GLN : amide:sc= -0.451 X(o=-0.45,f=0) USER MOD Single : B 13 HIS :FLIP no HD1:sc= -3.09 F(o=-4.1!,f=-3.1) USER MOD Single : B 16 SER OG : rot 91:sc= 1.24 USER MOD Single : B 31 GLN : amide:sc=-0.00504 X(o=-0.005,f=-0.005) USER MOD Single : B 37 MET CE :methyl -139:sc= -4.48! (180deg=-6.61!) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 GLN :FLIP amide:sc= -3.92! C(o=-4.5!,f=-3.9!) USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 50 HIS : no HE2:sc= -0.0978 K(o=-0.098,f=-2!) USER MOD Single : B 58 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 72 N ALA A 7 18.272 -3.012 9.793 1.00 2.47 N ATOM 73 CA ALA A 7 17.568 -2.482 8.636 1.00 2.28 C ATOM 74 C ALA A 7 17.997 -3.214 7.374 1.00 2.05 C ATOM 75 O ALA A 7 17.195 -3.413 6.466 1.00 1.85 O ATOM 76 CB ALA A 7 17.816 -0.989 8.496 1.00 2.50 C ATOM 0 HA ALA A 7 16.499 -2.639 8.781 1.00 2.28 H new ATOM 0 HB1 ALA A 7 17.281 -0.611 7.625 1.00 2.50 H new ATOM 0 HB2 ALA A 7 17.462 -0.476 9.390 1.00 2.50 H new ATOM 0 HB3 ALA A 7 18.884 -0.808 8.373 1.00 2.50 H new ATOM 82 N GLY A 8 19.267 -3.611 7.327 1.00 2.13 N ATOM 83 CA GLY A 8 19.760 -4.426 6.237 1.00 2.02 C ATOM 84 C GLY A 8 19.008 -5.733 6.136 1.00 1.90 C ATOM 85 O GLY A 8 18.720 -6.207 5.042 1.00 1.76 O ATOM 0 H GLY A 8 19.966 -3.378 8.033 1.00 2.13 H new ATOM 0 HA2 GLY A 8 19.665 -3.877 5.300 1.00 2.02 H new ATOM 0 HA3 GLY A 8 20.821 -4.626 6.383 1.00 2.02 H new ATOM 89 N ALA A 9 18.673 -6.308 7.286 1.00 2.01 N ATOM 90 CA ALA A 9 17.884 -7.532 7.332 1.00 1.97 C ATOM 91 C ALA A 9 16.465 -7.267 6.833 1.00 1.73 C ATOM 92 O ALA A 9 15.885 -8.078 6.111 1.00 1.64 O ATOM 93 CB ALA A 9 17.857 -8.097 8.743 1.00 2.19 C ATOM 0 H ALA A 9 18.937 -5.944 8.201 1.00 2.01 H new ATOM 0 HA ALA A 9 18.349 -8.269 6.678 1.00 1.97 H new ATOM 0 HB1 ALA A 9 17.263 -9.011 8.758 1.00 2.19 H new ATOM 0 HB2 ALA A 9 18.874 -8.320 9.065 1.00 2.19 H new ATOM 0 HB3 ALA A 9 17.414 -7.366 9.419 1.00 2.19 H new ATOM 99 N LEU A 10 15.917 -6.120 7.222 1.00 1.68 N ATOM 100 CA LEU A 10 14.606 -5.694 6.749 1.00 1.51 C ATOM 101 C LEU A 10 14.629 -5.517 5.237 1.00 1.33 C ATOM 102 O LEU A 10 13.754 -6.013 4.528 1.00 1.21 O ATOM 103 CB LEU A 10 14.196 -4.390 7.438 1.00 1.62 C ATOM 104 CG LEU A 10 12.960 -3.684 6.864 1.00 1.49 C ATOM 105 CD1 LEU A 10 11.706 -4.514 7.082 1.00 1.55 C ATOM 106 CD2 LEU A 10 12.795 -2.300 7.480 1.00 1.60 C ATOM 0 H LEU A 10 16.363 -5.467 7.866 1.00 1.68 H new ATOM 0 HA LEU A 10 13.872 -6.461 6.997 1.00 1.51 H new ATOM 0 HB2 LEU A 10 14.012 -4.601 8.491 1.00 1.62 H new ATOM 0 HB3 LEU A 10 15.038 -3.699 7.394 1.00 1.62 H new ATOM 0 HG LEU A 10 13.109 -3.570 5.790 1.00 1.49 H new ATOM 0 HD11 LEU A 10 10.846 -3.990 6.666 1.00 1.55 H new ATOM 0 HD12 LEU A 10 11.818 -5.479 6.587 1.00 1.55 H new ATOM 0 HD13 LEU A 10 11.554 -4.670 8.150 1.00 1.55 H new ATOM 0 HD21 LEU A 10 11.913 -1.817 7.059 1.00 1.60 H new ATOM 0 HD22 LEU A 10 12.677 -2.394 8.560 1.00 1.60 H new ATOM 0 HD23 LEU A 10 13.677 -1.697 7.263 1.00 1.60 H new ATOM 118 N LEU A 11 15.656 -4.839 4.760 1.00 1.38 N ATOM 119 CA LEU A 11 15.861 -4.637 3.338 1.00 1.31 C ATOM 120 C LEU A 11 16.015 -5.988 2.636 1.00 1.29 C ATOM 121 O LEU A 11 15.362 -6.251 1.627 1.00 1.22 O ATOM 122 CB LEU A 11 17.101 -3.744 3.144 1.00 1.44 C ATOM 123 CG LEU A 11 17.430 -3.293 1.712 1.00 1.48 C ATOM 124 CD1 LEU A 11 18.160 -4.389 0.955 1.00 1.71 C ATOM 125 CD2 LEU A 11 16.167 -2.865 0.973 1.00 1.43 C ATOM 0 H LEU A 11 16.372 -4.412 5.348 1.00 1.38 H new ATOM 0 HA LEU A 11 15.000 -4.139 2.893 1.00 1.31 H new ATOM 0 HB2 LEU A 11 16.973 -2.852 3.757 1.00 1.44 H new ATOM 0 HB3 LEU A 11 17.966 -4.279 3.536 1.00 1.44 H new ATOM 0 HG LEU A 11 18.091 -2.429 1.772 1.00 1.48 H new ATOM 0 HD11 LEU A 11 18.382 -4.047 -0.056 1.00 1.71 H new ATOM 0 HD12 LEU A 11 19.090 -4.629 1.470 1.00 1.71 H new ATOM 0 HD13 LEU A 11 17.532 -5.279 0.907 1.00 1.71 H new ATOM 0 HD21 LEU A 11 16.426 -2.550 -0.038 1.00 1.43 H new ATOM 0 HD22 LEU A 11 15.472 -3.703 0.925 1.00 1.43 H new ATOM 0 HD23 LEU A 11 15.699 -2.035 1.503 1.00 1.43 H new ATOM 137 N ALA A 12 16.853 -6.852 3.202 1.00 1.43 N ATOM 138 CA ALA A 12 17.119 -8.167 2.632 1.00 1.53 C ATOM 139 C ALA A 12 15.847 -8.997 2.489 1.00 1.49 C ATOM 140 O ALA A 12 15.569 -9.532 1.413 1.00 1.51 O ATOM 141 CB ALA A 12 18.139 -8.911 3.479 1.00 1.75 C ATOM 0 H ALA A 12 17.364 -6.661 4.064 1.00 1.43 H new ATOM 0 HA ALA A 12 17.523 -8.013 1.632 1.00 1.53 H new ATOM 0 HB1 ALA A 12 18.329 -9.892 3.042 1.00 1.75 H new ATOM 0 HB2 ALA A 12 19.068 -8.343 3.512 1.00 1.75 H new ATOM 0 HB3 ALA A 12 17.752 -9.033 4.491 1.00 1.75 H new ATOM 147 N HIS A 13 15.061 -9.100 3.557 1.00 1.46 N ATOM 148 CA HIS A 13 13.881 -9.950 3.530 1.00 1.48 C ATOM 149 C HIS A 13 12.766 -9.298 2.711 1.00 1.27 C ATOM 150 O HIS A 13 11.935 -9.989 2.127 1.00 1.32 O ATOM 151 CB HIS A 13 13.428 -10.328 4.954 1.00 1.57 C ATOM 152 CG HIS A 13 12.512 -9.361 5.633 1.00 1.44 C ATOM 153 ND1 HIS A 13 12.777 -8.298 6.417 1.00 1.26 N flip ATOM 154 CD2 HIS A 13 11.144 -9.468 5.592 1.00 1.78 C flip ATOM 155 CE1 HIS A 13 11.578 -7.784 6.836 1.00 1.21 C flip ATOM 156 NE2 HIS A 13 10.609 -8.510 6.317 1.00 1.66 N flip ATOM 0 H HIS A 13 15.218 -8.612 4.439 1.00 1.46 H new ATOM 0 HA HIS A 13 14.140 -10.885 3.033 1.00 1.48 H new ATOM 0 HB2 HIS A 13 12.931 -11.297 4.910 1.00 1.57 H new ATOM 0 HB3 HIS A 13 14.316 -10.453 5.574 1.00 1.57 H new ATOM 0 HD2 HIS A 13 10.593 -10.222 5.049 1.00 1.78 H new ATOM 0 HE1 HIS A 13 11.449 -6.928 7.482 1.00 1.21 H new ATOM 0 HE2 HIS A 13 9.610 -8.355 6.455 1.00 1.66 H new ATOM 165 N ALA A 14 12.763 -7.970 2.656 1.00 1.09 N ATOM 166 CA ALA A 14 11.815 -7.247 1.817 1.00 0.94 C ATOM 167 C ALA A 14 12.134 -7.476 0.345 1.00 1.00 C ATOM 168 O ALA A 14 11.239 -7.755 -0.455 1.00 1.04 O ATOM 169 CB ALA A 14 11.837 -5.760 2.138 1.00 0.84 C ATOM 0 H ALA A 14 13.404 -7.375 3.181 1.00 1.09 H new ATOM 0 HA ALA A 14 10.814 -7.626 2.023 1.00 0.94 H new ATOM 0 HB1 ALA A 14 11.122 -5.240 1.500 1.00 0.84 H new ATOM 0 HB2 ALA A 14 11.568 -5.609 3.183 1.00 0.84 H new ATOM 0 HB3 ALA A 14 12.837 -5.364 1.960 1.00 0.84 H new ATOM 175 N ALA A 15 13.414 -7.376 0.001 1.00 1.08 N ATOM 176 CA ALA A 15 13.867 -7.606 -1.366 1.00 1.19 C ATOM 177 C ALA A 15 13.631 -9.050 -1.781 1.00 1.37 C ATOM 178 O ALA A 15 13.249 -9.326 -2.918 1.00 1.46 O ATOM 179 CB ALA A 15 15.342 -7.272 -1.498 1.00 1.27 C ATOM 0 H ALA A 15 14.160 -7.136 0.654 1.00 1.08 H new ATOM 0 HA ALA A 15 13.291 -6.955 -2.024 1.00 1.19 H new ATOM 0 HB1 ALA A 15 15.665 -7.449 -2.524 1.00 1.27 H new ATOM 0 HB2 ALA A 15 15.502 -6.224 -1.243 1.00 1.27 H new ATOM 0 HB3 ALA A 15 15.920 -7.902 -0.822 1.00 1.27 H new ATOM 185 N SER A 16 13.861 -9.964 -0.848 1.00 1.47 N ATOM 186 CA SER A 16 13.687 -11.385 -1.103 1.00 1.68 C ATOM 187 C SER A 16 12.219 -11.724 -1.374 1.00 1.68 C ATOM 188 O SER A 16 11.918 -12.632 -2.153 1.00 1.89 O ATOM 189 CB SER A 16 14.218 -12.194 0.080 1.00 1.83 C ATOM 190 OG SER A 16 15.612 -11.979 0.259 1.00 2.28 O ATOM 0 H SER A 16 14.171 -9.743 0.098 1.00 1.47 H new ATOM 0 HA SER A 16 14.255 -11.647 -1.996 1.00 1.68 H new ATOM 0 HB2 SER A 16 13.683 -11.912 0.987 1.00 1.83 H new ATOM 0 HB3 SER A 16 14.028 -13.255 -0.085 1.00 1.83 H new ATOM 0 HG SER A 16 15.754 -11.142 0.749 1.00 2.28 H new ATOM 196 N LEU A 17 11.309 -10.986 -0.745 1.00 1.47 N ATOM 197 CA LEU A 17 9.884 -11.174 -0.992 1.00 1.48 C ATOM 198 C LEU A 17 9.451 -10.365 -2.204 1.00 1.43 C ATOM 199 O LEU A 17 8.499 -10.720 -2.897 1.00 1.55 O ATOM 200 CB LEU A 17 9.063 -10.741 0.222 1.00 1.34 C ATOM 201 CG LEU A 17 9.359 -11.485 1.520 1.00 1.42 C ATOM 202 CD1 LEU A 17 8.421 -11.007 2.612 1.00 1.31 C ATOM 203 CD2 LEU A 17 9.235 -12.988 1.322 1.00 1.65 C ATOM 0 H LEU A 17 11.531 -10.258 -0.066 1.00 1.47 H new ATOM 0 HA LEU A 17 9.710 -12.234 -1.179 1.00 1.48 H new ATOM 0 HB2 LEU A 17 9.229 -9.677 0.389 1.00 1.34 H new ATOM 0 HB3 LEU A 17 8.006 -10.866 -0.014 1.00 1.34 H new ATOM 0 HG LEU A 17 10.385 -11.272 1.820 1.00 1.42 H new ATOM 0 HD11 LEU A 17 8.637 -11.542 3.537 1.00 1.31 H new ATOM 0 HD12 LEU A 17 8.561 -9.938 2.770 1.00 1.31 H new ATOM 0 HD13 LEU A 17 7.390 -11.198 2.315 1.00 1.31 H new ATOM 0 HD21 LEU A 17 9.451 -13.498 2.261 1.00 1.65 H new ATOM 0 HD22 LEU A 17 8.222 -13.230 1.002 1.00 1.65 H new ATOM 0 HD23 LEU A 17 9.944 -13.314 0.561 1.00 1.65 H new ATOM 215 N GLY A 18 10.180 -9.293 -2.463 1.00 1.28 N ATOM 216 CA GLY A 18 9.871 -8.430 -3.579 1.00 1.27 C ATOM 217 C GLY A 18 8.776 -7.430 -3.263 1.00 1.15 C ATOM 218 O GLY A 18 7.986 -7.082 -4.137 1.00 1.27 O ATOM 0 H GLY A 18 10.989 -9.003 -1.913 1.00 1.28 H new ATOM 0 HA2 GLY A 18 10.772 -7.893 -3.878 1.00 1.27 H new ATOM 0 HA3 GLY A 18 9.566 -9.039 -4.430 1.00 1.27 H new ATOM 222 N VAL A 19 8.717 -6.975 -2.012 1.00 0.99 N ATOM 223 CA VAL A 19 7.796 -5.910 -1.643 1.00 0.89 C ATOM 224 C VAL A 19 8.295 -4.602 -2.238 1.00 0.86 C ATOM 225 O VAL A 19 9.417 -4.186 -1.970 1.00 0.84 O ATOM 226 CB VAL A 19 7.659 -5.753 -0.111 1.00 0.76 C ATOM 227 CG1 VAL A 19 6.652 -4.669 0.231 1.00 0.74 C ATOM 228 CG2 VAL A 19 7.258 -7.063 0.542 1.00 0.87 C ATOM 0 H VAL A 19 9.292 -7.326 -1.246 1.00 0.99 H new ATOM 0 HA VAL A 19 6.812 -6.169 -2.034 1.00 0.89 H new ATOM 0 HB VAL A 19 8.634 -5.461 0.279 1.00 0.76 H new ATOM 0 HG11 VAL A 19 6.572 -4.576 1.314 1.00 0.74 H new ATOM 0 HG12 VAL A 19 6.982 -3.720 -0.192 1.00 0.74 H new ATOM 0 HG13 VAL A 19 5.679 -4.932 -0.184 1.00 0.74 H new ATOM 0 HG21 VAL A 19 7.170 -6.921 1.619 1.00 0.87 H new ATOM 0 HG22 VAL A 19 6.300 -7.392 0.140 1.00 0.87 H new ATOM 0 HG23 VAL A 19 8.016 -7.819 0.337 1.00 0.87 H new ATOM 238 N ARG A 20 7.478 -3.974 -3.063 1.00 0.95 N ATOM 239 CA ARG A 20 7.892 -2.779 -3.778 1.00 1.00 C ATOM 240 C ARG A 20 6.903 -1.649 -3.538 1.00 1.04 C ATOM 241 O ARG A 20 5.694 -1.845 -3.648 1.00 1.14 O ATOM 242 CB ARG A 20 7.959 -3.082 -5.274 1.00 1.23 C ATOM 243 CG ARG A 20 8.630 -4.408 -5.584 1.00 1.42 C ATOM 244 CD ARG A 20 8.519 -4.776 -7.052 1.00 1.62 C ATOM 245 NE ARG A 20 8.921 -6.161 -7.285 1.00 1.83 N ATOM 246 CZ ARG A 20 8.796 -6.791 -8.454 1.00 2.15 C ATOM 247 NH1 ARG A 20 8.279 -6.166 -9.503 1.00 2.44 N ATOM 248 NH2 ARG A 20 9.176 -8.055 -8.575 1.00 2.67 N ATOM 0 H ARG A 20 6.522 -4.272 -3.255 1.00 0.95 H new ATOM 0 HA ARG A 20 8.873 -2.473 -3.416 1.00 1.00 H new ATOM 0 HB2 ARG A 20 6.949 -3.089 -5.683 1.00 1.23 H new ATOM 0 HB3 ARG A 20 8.501 -2.281 -5.777 1.00 1.23 H new ATOM 0 HG2 ARG A 20 9.682 -4.356 -5.303 1.00 1.42 H new ATOM 0 HG3 ARG A 20 8.177 -5.193 -4.979 1.00 1.42 H new ATOM 0 HD2 ARG A 20 7.492 -4.632 -7.388 1.00 1.62 H new ATOM 0 HD3 ARG A 20 9.145 -4.109 -7.644 1.00 1.62 H new ATOM 0 HE ARG A 20 9.323 -6.679 -6.504 1.00 1.83 H new ATOM 0 HH11 ARG A 20 7.974 -5.196 -9.419 1.00 2.44 H new ATOM 0 HH12 ARG A 20 8.187 -6.655 -10.393 1.00 2.44 H new ATOM 0 HH21 ARG A 20 9.566 -8.549 -7.772 1.00 2.67 H new ATOM 0 HH22 ARG A 20 9.079 -8.533 -9.471 1.00 2.67 H new ATOM 262 N LEU A 21 7.415 -0.475 -3.200 1.00 1.06 N ATOM 263 CA LEU A 21 6.576 0.704 -3.035 1.00 1.22 C ATOM 264 C LEU A 21 7.190 1.878 -3.777 1.00 1.41 C ATOM 265 O LEU A 21 8.353 2.211 -3.566 1.00 1.45 O ATOM 266 CB LEU A 21 6.390 1.080 -1.554 1.00 1.18 C ATOM 267 CG LEU A 21 5.579 0.099 -0.702 1.00 1.09 C ATOM 268 CD1 LEU A 21 6.452 -1.041 -0.204 1.00 0.89 C ATOM 269 CD2 LEU A 21 4.932 0.830 0.464 1.00 1.23 C ATOM 0 H LEU A 21 8.408 -0.313 -3.034 1.00 1.06 H new ATOM 0 HA LEU A 21 5.595 0.467 -3.446 1.00 1.22 H new ATOM 0 HB2 LEU A 21 7.376 1.191 -1.103 1.00 1.18 H new ATOM 0 HB3 LEU A 21 5.906 2.056 -1.507 1.00 1.18 H new ATOM 0 HG LEU A 21 4.794 -0.330 -1.325 1.00 1.09 H new ATOM 0 HD11 LEU A 21 5.852 -1.723 0.398 1.00 0.89 H new ATOM 0 HD12 LEU A 21 6.868 -1.579 -1.056 1.00 0.89 H new ATOM 0 HD13 LEU A 21 7.263 -0.639 0.403 1.00 0.89 H new ATOM 0 HD21 LEU A 21 4.358 0.123 1.063 1.00 1.23 H new ATOM 0 HD22 LEU A 21 5.706 1.285 1.082 1.00 1.23 H new ATOM 0 HD23 LEU A 21 4.268 1.606 0.083 1.00 1.23 H new ATOM 281 N TRP A 22 6.414 2.494 -4.653 1.00 1.61 N ATOM 282 CA TRP A 22 6.882 3.656 -5.389 1.00 1.82 C ATOM 283 C TRP A 22 5.745 4.653 -5.565 1.00 2.04 C ATOM 284 O TRP A 22 4.616 4.276 -5.885 1.00 2.09 O ATOM 285 CB TRP A 22 7.468 3.250 -6.754 1.00 1.87 C ATOM 286 CG TRP A 22 6.457 2.722 -7.734 1.00 1.96 C ATOM 287 CD1 TRP A 22 5.916 3.397 -8.794 1.00 2.19 C ATOM 288 CD2 TRP A 22 5.867 1.417 -7.748 1.00 1.86 C ATOM 289 NE1 TRP A 22 5.030 2.591 -9.466 1.00 2.26 N ATOM 290 CE2 TRP A 22 4.980 1.370 -8.842 1.00 2.06 C ATOM 291 CE3 TRP A 22 6.002 0.282 -6.944 1.00 1.64 C ATOM 292 CZ2 TRP A 22 4.236 0.234 -9.150 1.00 2.08 C ATOM 293 CZ3 TRP A 22 5.258 -0.841 -7.247 1.00 1.66 C ATOM 294 CH2 TRP A 22 4.386 -0.859 -8.342 1.00 1.88 C ATOM 0 H TRP A 22 5.459 2.210 -4.871 1.00 1.61 H new ATOM 0 HA TRP A 22 7.679 4.129 -4.815 1.00 1.82 H new ATOM 0 HB2 TRP A 22 7.964 4.115 -7.194 1.00 1.87 H new ATOM 0 HB3 TRP A 22 8.233 2.490 -6.595 1.00 1.87 H new ATOM 0 HD1 TRP A 22 6.152 4.416 -9.063 1.00 2.19 H new ATOM 0 HE1 TRP A 22 4.496 2.857 -10.294 1.00 2.26 H new ATOM 0 HE3 TRP A 22 6.676 0.283 -6.100 1.00 1.64 H new ATOM 0 HZ2 TRP A 22 3.565 0.217 -9.996 1.00 2.08 H new ATOM 0 HZ3 TRP A 22 5.350 -1.721 -6.628 1.00 1.66 H new ATOM 0 HH2 TRP A 22 3.820 -1.754 -8.553 1.00 1.88 H new ATOM 305 N VAL A 23 6.029 5.916 -5.319 1.00 2.21 N ATOM 306 CA VAL A 23 5.026 6.952 -5.468 1.00 2.44 C ATOM 307 C VAL A 23 5.100 7.550 -6.867 1.00 2.71 C ATOM 308 O VAL A 23 6.165 7.971 -7.323 1.00 2.81 O ATOM 309 CB VAL A 23 5.164 8.055 -4.388 1.00 2.66 C ATOM 310 CG1 VAL A 23 6.556 8.670 -4.395 1.00 2.85 C ATOM 311 CG2 VAL A 23 4.097 9.127 -4.573 1.00 2.92 C ATOM 0 H VAL A 23 6.944 6.250 -5.016 1.00 2.21 H new ATOM 0 HA VAL A 23 4.048 6.492 -5.328 1.00 2.44 H new ATOM 0 HB VAL A 23 5.016 7.587 -3.415 1.00 2.66 H new ATOM 0 HG11 VAL A 23 6.618 9.440 -3.626 1.00 2.85 H new ATOM 0 HG12 VAL A 23 7.297 7.896 -4.194 1.00 2.85 H new ATOM 0 HG13 VAL A 23 6.752 9.116 -5.370 1.00 2.85 H new ATOM 0 HG21 VAL A 23 4.212 9.891 -3.805 1.00 2.92 H new ATOM 0 HG22 VAL A 23 4.206 9.583 -5.557 1.00 2.92 H new ATOM 0 HG23 VAL A 23 3.109 8.675 -4.490 1.00 2.92 H new ATOM 321 N GLU A 24 3.975 7.542 -7.558 1.00 2.84 N ATOM 322 CA GLU A 24 3.902 8.090 -8.898 1.00 3.15 C ATOM 323 C GLU A 24 2.864 9.199 -8.941 1.00 3.47 C ATOM 324 O GLU A 24 1.679 8.971 -8.671 1.00 3.45 O ATOM 325 CB GLU A 24 3.573 6.989 -9.908 1.00 3.09 C ATOM 326 CG GLU A 24 3.496 7.479 -11.347 1.00 3.44 C ATOM 327 CD GLU A 24 3.397 6.343 -12.346 1.00 3.75 C ATOM 328 OE1 GLU A 24 4.446 5.756 -12.689 1.00 4.16 O ATOM 329 OE2 GLU A 24 2.271 6.018 -12.778 1.00 4.20 O ATOM 0 H GLU A 24 3.096 7.160 -7.210 1.00 2.84 H new ATOM 0 HA GLU A 24 4.871 8.510 -9.168 1.00 3.15 H new ATOM 0 HB2 GLU A 24 4.330 6.208 -9.840 1.00 3.09 H new ATOM 0 HB3 GLU A 24 2.620 6.534 -9.638 1.00 3.09 H new ATOM 0 HG2 GLU A 24 2.631 8.132 -11.459 1.00 3.44 H new ATOM 0 HG3 GLU A 24 4.379 8.078 -11.570 1.00 3.44 H new ATOM 336 N GLY A 25 3.321 10.401 -9.257 1.00 3.78 N ATOM 337 CA GLY A 25 2.447 11.553 -9.257 1.00 4.13 C ATOM 338 C GLY A 25 2.035 11.942 -7.853 1.00 4.12 C ATOM 339 O GLY A 25 2.774 12.628 -7.144 1.00 4.20 O ATOM 0 H GLY A 25 4.288 10.599 -9.515 1.00 3.78 H new ATOM 0 HA2 GLY A 25 2.952 12.393 -9.734 1.00 4.13 H new ATOM 0 HA3 GLY A 25 1.559 11.336 -9.850 1.00 4.13 H new ATOM 343 N GLU A 26 0.859 11.487 -7.451 1.00 4.08 N ATOM 344 CA GLU A 26 0.331 11.774 -6.127 1.00 4.12 C ATOM 345 C GLU A 26 0.165 10.502 -5.306 1.00 3.62 C ATOM 346 O GLU A 26 0.019 10.556 -4.084 1.00 3.64 O ATOM 347 CB GLU A 26 -1.025 12.468 -6.239 1.00 4.51 C ATOM 348 CG GLU A 26 -2.055 11.644 -6.997 1.00 5.05 C ATOM 349 CD GLU A 26 -3.460 12.185 -6.863 1.00 4.66 C ATOM 350 OE1 GLU A 26 -3.758 13.229 -7.472 1.00 4.88 O ATOM 351 OE2 GLU A 26 -4.278 11.552 -6.161 1.00 5.15 O ATOM 0 H GLU A 26 0.247 10.912 -8.029 1.00 4.08 H new ATOM 0 HA GLU A 26 1.046 12.426 -5.625 1.00 4.12 H new ATOM 0 HB2 GLU A 26 -1.402 12.679 -5.238 1.00 4.51 H new ATOM 0 HB3 GLU A 26 -0.895 13.427 -6.740 1.00 4.51 H new ATOM 0 HG2 GLU A 26 -1.783 11.614 -8.052 1.00 5.05 H new ATOM 0 HG3 GLU A 26 -2.031 10.617 -6.632 1.00 5.05 H new ATOM 358 N ARG A 27 0.185 9.355 -5.968 1.00 3.25 N ATOM 359 CA ARG A 27 -0.225 8.132 -5.305 1.00 2.79 C ATOM 360 C ARG A 27 0.914 7.140 -5.152 1.00 2.64 C ATOM 361 O ARG A 27 1.688 6.902 -6.078 1.00 2.74 O ATOM 362 CB ARG A 27 -1.387 7.476 -6.049 1.00 2.61 C ATOM 363 CG ARG A 27 -2.208 6.550 -5.167 1.00 2.49 C ATOM 364 CD ARG A 27 -2.705 7.291 -3.930 1.00 3.08 C ATOM 365 NE ARG A 27 -3.381 8.550 -4.267 1.00 3.76 N ATOM 366 CZ ARG A 27 -3.888 9.392 -3.363 1.00 4.65 C ATOM 367 NH1 ARG A 27 -3.859 9.081 -2.068 1.00 5.01 N ATOM 368 NH2 ARG A 27 -4.420 10.547 -3.751 1.00 5.38 N ATOM 0 H ARG A 27 0.474 9.248 -6.940 1.00 3.25 H new ATOM 0 HA ARG A 27 -0.548 8.416 -4.304 1.00 2.79 H new ATOM 0 HB2 ARG A 27 -2.036 8.252 -6.455 1.00 2.61 H new ATOM 0 HB3 ARG A 27 -0.997 6.911 -6.896 1.00 2.61 H new ATOM 0 HG2 ARG A 27 -3.056 6.160 -5.730 1.00 2.49 H new ATOM 0 HG3 ARG A 27 -1.604 5.694 -4.867 1.00 2.49 H new ATOM 0 HD2 ARG A 27 -3.391 6.650 -3.377 1.00 3.08 H new ATOM 0 HD3 ARG A 27 -1.862 7.499 -3.271 1.00 3.08 H new ATOM 0 HE ARG A 27 -3.469 8.797 -5.253 1.00 3.76 H new ATOM 0 HH11 ARG A 27 -3.449 8.198 -1.765 1.00 5.01 H new ATOM 0 HH12 ARG A 27 -4.247 9.726 -1.380 1.00 5.01 H new ATOM 0 HH21 ARG A 27 -4.442 10.792 -4.741 1.00 5.38 H new ATOM 0 HH22 ARG A 27 -4.807 11.189 -3.059 1.00 5.38 H new ATOM 382 N LEU A 28 0.993 6.576 -3.960 1.00 2.44 N ATOM 383 CA LEU A 28 1.908 5.493 -3.664 1.00 2.27 C ATOM 384 C LEU A 28 1.331 4.196 -4.218 1.00 2.10 C ATOM 385 O LEU A 28 0.189 3.843 -3.919 1.00 2.02 O ATOM 386 CB LEU A 28 2.111 5.412 -2.138 1.00 2.25 C ATOM 387 CG LEU A 28 3.203 4.462 -1.622 1.00 2.00 C ATOM 388 CD1 LEU A 28 2.759 3.008 -1.678 1.00 2.23 C ATOM 389 CD2 LEU A 28 4.492 4.656 -2.401 1.00 2.15 C ATOM 0 H LEU A 28 0.419 6.860 -3.166 1.00 2.44 H new ATOM 0 HA LEU A 28 2.878 5.665 -4.130 1.00 2.27 H new ATOM 0 HB2 LEU A 28 2.336 6.414 -1.774 1.00 2.25 H new ATOM 0 HB3 LEU A 28 1.164 5.114 -1.687 1.00 2.25 H new ATOM 0 HG LEU A 28 3.384 4.710 -0.576 1.00 2.00 H new ATOM 0 HD11 LEU A 28 3.559 2.369 -1.305 1.00 2.23 H new ATOM 0 HD12 LEU A 28 1.870 2.875 -1.061 1.00 2.23 H new ATOM 0 HD13 LEU A 28 2.529 2.737 -2.708 1.00 2.23 H new ATOM 0 HD21 LEU A 28 5.253 3.974 -2.021 1.00 2.15 H new ATOM 0 HD22 LEU A 28 4.314 4.449 -3.456 1.00 2.15 H new ATOM 0 HD23 LEU A 28 4.836 5.684 -2.286 1.00 2.15 H new ATOM 401 N ARG A 29 2.100 3.513 -5.045 1.00 2.11 N ATOM 402 CA ARG A 29 1.681 2.228 -5.588 1.00 2.02 C ATOM 403 C ARG A 29 2.356 1.099 -4.830 1.00 1.76 C ATOM 404 O ARG A 29 3.519 1.214 -4.431 1.00 1.70 O ATOM 405 CB ARG A 29 1.994 2.109 -7.083 1.00 2.24 C ATOM 406 CG ARG A 29 0.918 2.674 -7.999 1.00 2.78 C ATOM 407 CD ARG A 29 0.886 4.190 -7.972 1.00 2.72 C ATOM 408 NE ARG A 29 -0.106 4.733 -8.902 1.00 3.29 N ATOM 409 CZ ARG A 29 0.168 5.052 -10.163 1.00 3.54 C ATOM 410 NH1 ARG A 29 1.369 4.800 -10.660 1.00 3.42 N ATOM 411 NH2 ARG A 29 -0.763 5.593 -10.937 1.00 4.22 N ATOM 0 H ARG A 29 3.020 3.824 -5.358 1.00 2.11 H new ATOM 0 HA ARG A 29 0.600 2.158 -5.468 1.00 2.02 H new ATOM 0 HB2 ARG A 29 2.934 2.623 -7.287 1.00 2.24 H new ATOM 0 HB3 ARG A 29 2.146 1.058 -7.327 1.00 2.24 H new ATOM 0 HG2 ARG A 29 1.095 2.333 -9.019 1.00 2.78 H new ATOM 0 HG3 ARG A 29 -0.055 2.286 -7.698 1.00 2.78 H new ATOM 0 HD2 ARG A 29 0.660 4.530 -6.961 1.00 2.72 H new ATOM 0 HD3 ARG A 29 1.872 4.578 -8.226 1.00 2.72 H new ATOM 0 HE ARG A 29 -1.058 4.874 -8.564 1.00 3.29 H new ATOM 0 HH11 ARG A 29 2.081 4.362 -10.076 1.00 3.42 H new ATOM 0 HH12 ARG A 29 1.582 5.044 -11.627 1.00 3.42 H new ATOM 0 HH21 ARG A 29 -1.697 5.767 -10.566 1.00 4.22 H new ATOM 0 HH22 ARG A 29 -0.545 5.835 -11.904 1.00 4.22 H new ATOM 425 N PHE A 30 1.635 0.010 -4.644 1.00 1.65 N ATOM 426 CA PHE A 30 2.121 -1.087 -3.834 1.00 1.43 C ATOM 427 C PHE A 30 2.221 -2.365 -4.661 1.00 1.49 C ATOM 428 O PHE A 30 1.294 -2.721 -5.386 1.00 1.69 O ATOM 429 CB PHE A 30 1.175 -1.291 -2.652 1.00 1.35 C ATOM 430 CG PHE A 30 1.864 -1.660 -1.363 1.00 1.14 C ATOM 431 CD1 PHE A 30 2.821 -2.667 -1.313 1.00 1.50 C ATOM 432 CD2 PHE A 30 1.541 -0.997 -0.194 1.00 1.69 C ATOM 433 CE1 PHE A 30 3.434 -2.995 -0.124 1.00 1.47 C ATOM 434 CE2 PHE A 30 2.151 -1.321 0.999 1.00 1.62 C ATOM 435 CZ PHE A 30 3.102 -2.324 1.035 1.00 0.99 C ATOM 0 H PHE A 30 0.709 -0.137 -5.045 1.00 1.65 H new ATOM 0 HA PHE A 30 3.119 -0.847 -3.466 1.00 1.43 H new ATOM 0 HB2 PHE A 30 0.604 -0.376 -2.496 1.00 1.35 H new ATOM 0 HB3 PHE A 30 0.460 -2.073 -2.905 1.00 1.35 H new ATOM 0 HD1 PHE A 30 3.087 -3.197 -2.216 1.00 1.50 H new ATOM 0 HD2 PHE A 30 0.799 -0.213 -0.216 1.00 1.69 H new ATOM 0 HE1 PHE A 30 4.176 -3.779 -0.099 1.00 1.47 H new ATOM 0 HE2 PHE A 30 1.887 -0.793 1.903 1.00 1.62 H new ATOM 0 HZ PHE A 30 3.583 -2.581 1.967 1.00 0.99 H new ATOM 445 N GLN A 31 3.358 -3.034 -4.555 1.00 1.37 N ATOM 446 CA GLN A 31 3.590 -4.300 -5.233 1.00 1.46 C ATOM 447 C GLN A 31 4.033 -5.348 -4.224 1.00 1.31 C ATOM 448 O GLN A 31 5.104 -5.224 -3.630 1.00 1.14 O ATOM 449 CB GLN A 31 4.667 -4.127 -6.309 1.00 1.58 C ATOM 450 CG GLN A 31 5.080 -5.415 -7.004 1.00 1.74 C ATOM 451 CD GLN A 31 4.007 -5.973 -7.910 1.00 2.14 C ATOM 452 OE1 GLN A 31 3.172 -6.771 -7.484 1.00 2.68 O ATOM 453 NE2 GLN A 31 4.030 -5.565 -9.169 1.00 2.52 N ATOM 0 H GLN A 31 4.148 -2.714 -3.995 1.00 1.37 H new ATOM 0 HA GLN A 31 2.664 -4.626 -5.707 1.00 1.46 H new ATOM 0 HB2 GLN A 31 4.303 -3.425 -7.059 1.00 1.58 H new ATOM 0 HB3 GLN A 31 5.549 -3.677 -5.853 1.00 1.58 H new ATOM 0 HG2 GLN A 31 5.981 -5.232 -7.589 1.00 1.74 H new ATOM 0 HG3 GLN A 31 5.335 -6.161 -6.251 1.00 1.74 H new ATOM 0 HE21 GLN A 31 4.741 -4.902 -9.477 1.00 2.52 H new ATOM 0 HE22 GLN A 31 3.336 -5.913 -9.831 1.00 2.52 H new ATOM 462 N ALA A 32 3.213 -6.364 -4.020 1.00 1.43 N ATOM 463 CA ALA A 32 3.535 -7.416 -3.071 1.00 1.36 C ATOM 464 C ALA A 32 2.887 -8.736 -3.466 1.00 1.55 C ATOM 465 O ALA A 32 1.680 -8.803 -3.695 1.00 1.69 O ATOM 466 CB ALA A 32 3.101 -7.017 -1.669 1.00 1.25 C ATOM 0 H ALA A 32 2.320 -6.483 -4.498 1.00 1.43 H new ATOM 0 HA ALA A 32 4.616 -7.554 -3.082 1.00 1.36 H new ATOM 0 HB1 ALA A 32 3.349 -7.816 -0.970 1.00 1.25 H new ATOM 0 HB2 ALA A 32 3.618 -6.103 -1.374 1.00 1.25 H new ATOM 0 HB3 ALA A 32 2.025 -6.845 -1.656 1.00 1.25 H new ATOM 472 N PRO A 33 3.692 -9.803 -3.562 1.00 1.60 N ATOM 473 CA PRO A 33 3.200 -11.145 -3.887 1.00 1.79 C ATOM 474 C PRO A 33 2.286 -11.702 -2.794 1.00 1.78 C ATOM 475 O PRO A 33 2.364 -11.294 -1.632 1.00 1.62 O ATOM 476 CB PRO A 33 4.481 -11.984 -4.002 1.00 1.82 C ATOM 477 CG PRO A 33 5.580 -10.989 -4.152 1.00 1.84 C ATOM 478 CD PRO A 33 5.147 -9.793 -3.367 1.00 1.52 C ATOM 0 HA PRO A 33 2.597 -11.150 -4.795 1.00 1.79 H new ATOM 0 HB2 PRO A 33 4.628 -12.604 -3.118 1.00 1.82 H new ATOM 0 HB3 PRO A 33 4.437 -12.656 -4.859 1.00 1.82 H new ATOM 0 HG2 PRO A 33 6.523 -11.386 -3.775 1.00 1.84 H new ATOM 0 HG3 PRO A 33 5.738 -10.734 -5.200 1.00 1.84 H new ATOM 0 HD2 PRO A 33 5.417 -9.877 -2.314 1.00 1.52 H new ATOM 0 HD3 PRO A 33 5.601 -8.875 -3.740 1.00 1.52 H new ATOM 486 N PRO A 34 1.404 -12.641 -3.154 1.00 1.96 N ATOM 487 CA PRO A 34 0.451 -13.235 -2.213 1.00 1.97 C ATOM 488 C PRO A 34 1.141 -13.939 -1.046 1.00 1.88 C ATOM 489 O PRO A 34 1.966 -14.835 -1.239 1.00 1.95 O ATOM 490 CB PRO A 34 -0.334 -14.241 -3.065 1.00 2.20 C ATOM 491 CG PRO A 34 0.488 -14.460 -4.291 1.00 2.31 C ATOM 492 CD PRO A 34 1.262 -13.191 -4.508 1.00 2.19 C ATOM 0 HA PRO A 34 -0.179 -12.476 -1.750 1.00 1.97 H new ATOM 0 HB2 PRO A 34 -0.488 -15.175 -2.525 1.00 2.20 H new ATOM 0 HB3 PRO A 34 -1.320 -13.853 -3.319 1.00 2.20 H new ATOM 0 HG2 PRO A 34 1.160 -15.309 -4.163 1.00 2.31 H new ATOM 0 HG3 PRO A 34 -0.145 -14.682 -5.150 1.00 2.31 H new ATOM 0 HD2 PRO A 34 2.232 -13.386 -4.966 1.00 2.19 H new ATOM 0 HD3 PRO A 34 0.730 -12.504 -5.167 1.00 2.19 H new ATOM 500 N GLY A 35 0.795 -13.524 0.166 1.00 1.76 N ATOM 501 CA GLY A 35 1.337 -14.158 1.352 1.00 1.72 C ATOM 502 C GLY A 35 2.268 -13.257 2.138 1.00 1.60 C ATOM 503 O GLY A 35 2.329 -13.342 3.363 1.00 1.71 O ATOM 0 H GLY A 35 0.147 -12.758 0.349 1.00 1.76 H new ATOM 0 HA2 GLY A 35 0.515 -14.471 1.996 1.00 1.72 H new ATOM 0 HA3 GLY A 35 1.875 -15.060 1.060 1.00 1.72 H new ATOM 507 N VAL A 36 2.979 -12.375 1.449 1.00 1.46 N ATOM 508 CA VAL A 36 3.991 -11.552 2.105 1.00 1.34 C ATOM 509 C VAL A 36 3.396 -10.299 2.727 1.00 1.22 C ATOM 510 O VAL A 36 3.980 -9.711 3.630 1.00 1.22 O ATOM 511 CB VAL A 36 5.107 -11.134 1.137 1.00 1.31 C ATOM 512 CG1 VAL A 36 5.697 -12.361 0.471 1.00 1.49 C ATOM 513 CG2 VAL A 36 4.608 -10.140 0.106 1.00 1.25 C ATOM 0 H VAL A 36 2.878 -12.210 0.448 1.00 1.46 H new ATOM 0 HA VAL A 36 4.411 -12.178 2.893 1.00 1.34 H new ATOM 0 HB VAL A 36 5.888 -10.634 1.710 1.00 1.31 H new ATOM 0 HG11 VAL A 36 6.488 -12.058 -0.215 1.00 1.49 H new ATOM 0 HG12 VAL A 36 6.110 -13.024 1.231 1.00 1.49 H new ATOM 0 HG13 VAL A 36 4.918 -12.884 -0.083 1.00 1.49 H new ATOM 0 HG21 VAL A 36 5.425 -9.867 -0.562 1.00 1.25 H new ATOM 0 HG22 VAL A 36 3.801 -10.590 -0.473 1.00 1.25 H new ATOM 0 HG23 VAL A 36 4.238 -9.247 0.610 1.00 1.25 H new ATOM 523 N MET A 37 2.215 -9.919 2.268 1.00 1.18 N ATOM 524 CA MET A 37 1.608 -8.644 2.651 1.00 1.11 C ATOM 525 C MET A 37 0.919 -8.740 4.012 1.00 1.14 C ATOM 526 O MET A 37 0.056 -7.933 4.342 1.00 1.18 O ATOM 527 CB MET A 37 0.617 -8.186 1.573 1.00 1.19 C ATOM 528 CG MET A 37 0.187 -6.726 1.690 1.00 1.18 C ATOM 529 SD MET A 37 1.316 -5.567 0.876 1.00 1.41 S ATOM 530 CE MET A 37 2.848 -5.803 1.779 1.00 0.92 C ATOM 0 H MET A 37 1.651 -10.475 1.626 1.00 1.18 H new ATOM 0 HA MET A 37 2.403 -7.903 2.737 1.00 1.11 H new ATOM 0 HB2 MET A 37 1.068 -8.342 0.593 1.00 1.19 H new ATOM 0 HB3 MET A 37 -0.270 -8.818 1.620 1.00 1.19 H new ATOM 0 HG2 MET A 37 -0.808 -6.614 1.259 1.00 1.18 H new ATOM 0 HG3 MET A 37 0.109 -6.463 2.745 1.00 1.18 H new ATOM 0 HE1 MET A 37 3.508 -4.953 1.605 1.00 0.92 H new ATOM 0 HE2 MET A 37 2.634 -5.883 2.845 1.00 0.92 H new ATOM 0 HE3 MET A 37 3.335 -6.716 1.437 1.00 0.92 H new ATOM 540 N THR A 38 1.308 -9.739 4.794 1.00 1.18 N ATOM 541 CA THR A 38 0.781 -9.915 6.137 1.00 1.27 C ATOM 542 C THR A 38 0.903 -8.623 6.944 1.00 1.26 C ATOM 543 O THR A 38 1.891 -7.897 6.804 1.00 1.16 O ATOM 544 CB THR A 38 1.535 -11.044 6.860 1.00 1.37 C ATOM 545 OG1 THR A 38 2.944 -10.902 6.637 1.00 1.35 O ATOM 546 CG2 THR A 38 1.073 -12.401 6.364 1.00 1.45 C ATOM 0 H THR A 38 1.992 -10.443 4.517 1.00 1.18 H new ATOM 0 HA THR A 38 -0.273 -10.178 6.053 1.00 1.27 H new ATOM 0 HB THR A 38 1.324 -10.975 7.927 1.00 1.37 H new ATOM 0 HG1 THR A 38 3.423 -11.621 7.100 1.00 1.35 H new ATOM 0 HG21 THR A 38 1.619 -13.185 6.888 1.00 1.45 H new ATOM 0 HG22 THR A 38 0.005 -12.513 6.553 1.00 1.45 H new ATOM 0 HG23 THR A 38 1.262 -12.481 5.294 1.00 1.45 H new ATOM 554 N PRO A 39 -0.102 -8.315 7.781 1.00 1.41 N ATOM 555 CA PRO A 39 -0.125 -7.091 8.596 1.00 1.46 C ATOM 556 C PRO A 39 1.188 -6.835 9.338 1.00 1.43 C ATOM 557 O PRO A 39 1.634 -5.692 9.452 1.00 1.40 O ATOM 558 CB PRO A 39 -1.253 -7.356 9.590 1.00 1.69 C ATOM 559 CG PRO A 39 -2.179 -8.274 8.870 1.00 1.72 C ATOM 560 CD PRO A 39 -1.315 -9.131 7.986 1.00 1.56 C ATOM 0 HA PRO A 39 -0.268 -6.203 7.980 1.00 1.46 H new ATOM 0 HB2 PRO A 39 -0.876 -7.811 10.506 1.00 1.69 H new ATOM 0 HB3 PRO A 39 -1.754 -6.432 9.877 1.00 1.69 H new ATOM 0 HG2 PRO A 39 -2.745 -8.886 9.572 1.00 1.72 H new ATOM 0 HG3 PRO A 39 -2.904 -7.713 8.280 1.00 1.72 H new ATOM 0 HD2 PRO A 39 -1.080 -10.085 8.459 1.00 1.56 H new ATOM 0 HD3 PRO A 39 -1.809 -9.357 7.041 1.00 1.56 H new ATOM 568 N GLU A 40 1.807 -7.903 9.832 1.00 1.49 N ATOM 569 CA GLU A 40 3.080 -7.788 10.533 1.00 1.53 C ATOM 570 C GLU A 40 4.160 -7.221 9.618 1.00 1.32 C ATOM 571 O GLU A 40 4.962 -6.396 10.043 1.00 1.29 O ATOM 572 CB GLU A 40 3.522 -9.142 11.086 1.00 1.71 C ATOM 573 CG GLU A 40 4.888 -9.102 11.751 1.00 1.94 C ATOM 574 CD GLU A 40 5.240 -10.395 12.451 1.00 2.17 C ATOM 575 OE1 GLU A 40 4.832 -11.472 11.975 1.00 2.48 O ATOM 576 OE2 GLU A 40 5.925 -10.337 13.490 1.00 2.76 O ATOM 0 H GLU A 40 1.448 -8.855 9.760 1.00 1.49 H new ATOM 0 HA GLU A 40 2.936 -7.100 11.366 1.00 1.53 H new ATOM 0 HB2 GLU A 40 2.784 -9.490 11.808 1.00 1.71 H new ATOM 0 HB3 GLU A 40 3.542 -9.869 10.274 1.00 1.71 H new ATOM 0 HG2 GLU A 40 5.646 -8.884 10.999 1.00 1.94 H new ATOM 0 HG3 GLU A 40 4.911 -8.286 12.473 1.00 1.94 H new ATOM 583 N LEU A 41 4.167 -7.651 8.359 1.00 1.20 N ATOM 584 CA LEU A 41 5.150 -7.159 7.399 1.00 1.02 C ATOM 585 C LEU A 41 5.016 -5.664 7.238 1.00 0.89 C ATOM 586 O LEU A 41 6.008 -4.943 7.203 1.00 0.81 O ATOM 587 CB LEU A 41 4.973 -7.778 6.029 1.00 0.97 C ATOM 588 CG LEU A 41 6.088 -7.422 5.042 1.00 0.87 C ATOM 589 CD1 LEU A 41 7.085 -8.567 4.904 1.00 1.11 C ATOM 590 CD2 LEU A 41 5.503 -7.024 3.699 1.00 0.83 C ATOM 0 H LEU A 41 3.509 -8.333 7.982 1.00 1.20 H new ATOM 0 HA LEU A 41 6.129 -7.431 7.793 1.00 1.02 H new ATOM 0 HB2 LEU A 41 4.925 -8.862 6.134 1.00 0.97 H new ATOM 0 HB3 LEU A 41 4.018 -7.455 5.615 1.00 0.97 H new ATOM 0 HG LEU A 41 6.634 -6.565 5.435 1.00 0.87 H new ATOM 0 HD11 LEU A 41 7.866 -8.286 4.197 1.00 1.11 H new ATOM 0 HD12 LEU A 41 7.533 -8.778 5.875 1.00 1.11 H new ATOM 0 HD13 LEU A 41 6.570 -9.456 4.541 1.00 1.11 H new ATOM 0 HD21 LEU A 41 6.310 -6.774 3.010 1.00 0.83 H new ATOM 0 HD22 LEU A 41 4.924 -7.854 3.294 1.00 0.83 H new ATOM 0 HD23 LEU A 41 4.854 -6.157 3.827 1.00 0.83 H new ATOM 602 N GLN A 42 3.777 -5.210 7.118 1.00 0.95 N ATOM 603 CA GLN A 42 3.496 -3.793 6.988 1.00 0.95 C ATOM 604 C GLN A 42 4.070 -3.031 8.183 1.00 0.97 C ATOM 605 O GLN A 42 4.619 -1.939 8.034 1.00 0.97 O ATOM 606 CB GLN A 42 1.988 -3.556 6.881 1.00 1.13 C ATOM 607 CG GLN A 42 1.598 -2.087 6.928 1.00 1.33 C ATOM 608 CD GLN A 42 1.821 -1.336 5.620 1.00 1.41 C ATOM 609 OE1 GLN A 42 2.759 -1.793 4.808 1.00 2.06 O flip ATOM 610 NE2 GLN A 42 1.142 -0.348 5.342 1.00 1.57 N flip ATOM 0 H GLN A 42 2.950 -5.807 7.108 1.00 0.95 H new ATOM 0 HA GLN A 42 3.969 -3.425 6.078 1.00 0.95 H new ATOM 0 HB2 GLN A 42 1.626 -3.990 5.949 1.00 1.13 H new ATOM 0 HB3 GLN A 42 1.487 -4.082 7.694 1.00 1.13 H new ATOM 0 HG2 GLN A 42 0.546 -2.011 7.202 1.00 1.33 H new ATOM 0 HG3 GLN A 42 2.169 -1.597 7.717 1.00 1.33 H new ATOM 0 HE21 GLN A 42 0.426 -0.022 5.991 1.00 1.57 H new ATOM 0 HE22 GLN A 42 1.295 0.145 4.462 1.00 1.57 H new ATOM 619 N SER A 43 3.960 -3.632 9.362 1.00 1.06 N ATOM 620 CA SER A 43 4.500 -3.047 10.579 1.00 1.12 C ATOM 621 C SER A 43 6.032 -3.054 10.544 1.00 1.02 C ATOM 622 O SER A 43 6.679 -2.182 11.124 1.00 1.08 O ATOM 623 CB SER A 43 3.980 -3.812 11.802 1.00 1.29 C ATOM 624 OG SER A 43 4.339 -3.164 13.011 1.00 1.57 O ATOM 0 H SER A 43 3.498 -4.531 9.499 1.00 1.06 H new ATOM 0 HA SER A 43 4.169 -2.011 10.650 1.00 1.12 H new ATOM 0 HB2 SER A 43 2.895 -3.900 11.743 1.00 1.29 H new ATOM 0 HB3 SER A 43 4.383 -4.825 11.797 1.00 1.29 H new ATOM 0 HG SER A 43 3.992 -3.675 13.772 1.00 1.57 H new ATOM 630 N ARG A 44 6.605 -4.037 9.854 1.00 0.97 N ATOM 631 CA ARG A 44 8.054 -4.110 9.683 1.00 0.98 C ATOM 632 C ARG A 44 8.518 -3.039 8.699 1.00 0.90 C ATOM 633 O ARG A 44 9.549 -2.402 8.904 1.00 1.04 O ATOM 634 CB ARG A 44 8.477 -5.495 9.182 1.00 1.09 C ATOM 635 CG ARG A 44 8.003 -6.638 10.067 1.00 1.26 C ATOM 636 CD ARG A 44 8.556 -6.527 11.478 1.00 1.51 C ATOM 637 NE ARG A 44 8.007 -7.558 12.358 1.00 1.90 N ATOM 638 CZ ARG A 44 8.523 -7.878 13.544 1.00 2.59 C ATOM 639 NH1 ARG A 44 9.613 -7.267 13.991 1.00 3.00 N ATOM 640 NH2 ARG A 44 7.949 -8.818 14.285 1.00 3.34 N ATOM 0 H ARG A 44 6.089 -4.793 9.405 1.00 0.97 H new ATOM 0 HA ARG A 44 8.521 -3.937 10.652 1.00 0.98 H new ATOM 0 HB2 ARG A 44 8.087 -5.642 8.175 1.00 1.09 H new ATOM 0 HB3 ARG A 44 9.564 -5.529 9.111 1.00 1.09 H new ATOM 0 HG2 ARG A 44 6.914 -6.642 10.103 1.00 1.26 H new ATOM 0 HG3 ARG A 44 8.311 -7.588 9.630 1.00 1.26 H new ATOM 0 HD2 ARG A 44 9.642 -6.613 11.451 1.00 1.51 H new ATOM 0 HD3 ARG A 44 8.324 -5.542 11.883 1.00 1.51 H new ATOM 0 HE ARG A 44 7.178 -8.063 12.045 1.00 1.90 H new ATOM 0 HH11 ARG A 44 10.062 -6.547 13.426 1.00 3.00 H new ATOM 0 HH12 ARG A 44 10.002 -7.518 14.900 1.00 3.00 H new ATOM 0 HH21 ARG A 44 7.113 -9.295 13.946 1.00 3.34 H new ATOM 0 HH22 ARG A 44 8.344 -9.063 15.193 1.00 3.34 H new ATOM 654 N LEU A 45 7.743 -2.854 7.628 1.00 0.78 N ATOM 655 CA LEU A 45 7.998 -1.790 6.659 1.00 0.80 C ATOM 656 C LEU A 45 7.928 -0.437 7.369 1.00 1.06 C ATOM 657 O LEU A 45 8.685 0.484 7.073 1.00 1.25 O ATOM 658 CB LEU A 45 6.969 -1.846 5.515 1.00 0.77 C ATOM 659 CG LEU A 45 6.875 -3.183 4.756 1.00 0.64 C ATOM 660 CD1 LEU A 45 5.675 -3.194 3.824 1.00 0.78 C ATOM 661 CD2 LEU A 45 8.132 -3.444 3.947 1.00 0.54 C ATOM 0 H LEU A 45 6.930 -3.431 7.411 1.00 0.78 H new ATOM 0 HA LEU A 45 8.991 -1.924 6.230 1.00 0.80 H new ATOM 0 HB2 LEU A 45 5.986 -1.614 5.925 1.00 0.77 H new ATOM 0 HB3 LEU A 45 7.209 -1.060 4.799 1.00 0.77 H new ATOM 0 HG LEU A 45 6.761 -3.969 5.502 1.00 0.64 H new ATOM 0 HD11 LEU A 45 5.630 -4.148 3.300 1.00 0.78 H new ATOM 0 HD12 LEU A 45 4.763 -3.056 4.404 1.00 0.78 H new ATOM 0 HD13 LEU A 45 5.770 -2.386 3.099 1.00 0.78 H new ATOM 0 HD21 LEU A 45 8.036 -4.395 3.422 1.00 0.54 H new ATOM 0 HD22 LEU A 45 8.271 -2.642 3.222 1.00 0.54 H new ATOM 0 HD23 LEU A 45 8.993 -3.483 4.615 1.00 0.54 H new ATOM 673 N GLY A 46 6.981 -0.333 8.296 1.00 1.20 N ATOM 674 CA GLY A 46 6.887 0.824 9.167 1.00 1.56 C ATOM 675 C GLY A 46 6.109 1.966 8.553 1.00 1.89 C ATOM 676 O GLY A 46 5.565 2.808 9.268 1.00 2.30 O ATOM 0 H GLY A 46 6.266 -1.042 8.461 1.00 1.20 H new ATOM 0 HA2 GLY A 46 6.411 0.530 10.103 1.00 1.56 H new ATOM 0 HA3 GLY A 46 7.891 1.168 9.414 1.00 1.56 H new ATOM 680 N GLY A 47 6.039 1.987 7.229 1.00 1.84 N ATOM 681 CA GLY A 47 5.350 3.058 6.536 1.00 2.25 C ATOM 682 C GLY A 47 6.072 4.383 6.675 1.00 2.18 C ATOM 683 O GLY A 47 5.483 5.446 6.471 1.00 2.57 O ATOM 0 H GLY A 47 6.449 1.279 6.620 1.00 1.84 H new ATOM 0 HA2 GLY A 47 5.257 2.805 5.480 1.00 2.25 H new ATOM 0 HA3 GLY A 47 4.339 3.153 6.931 1.00 2.25 H new ATOM 687 N ALA A 48 7.352 4.322 7.024 1.00 1.86 N ATOM 688 CA ALA A 48 8.147 5.520 7.197 1.00 2.02 C ATOM 689 C ALA A 48 8.661 5.999 5.849 1.00 2.08 C ATOM 690 O ALA A 48 8.915 5.194 4.954 1.00 1.94 O ATOM 691 CB ALA A 48 9.296 5.249 8.155 1.00 1.99 C ATOM 0 H ALA A 48 7.857 3.452 7.192 1.00 1.86 H new ATOM 0 HA ALA A 48 7.526 6.307 7.626 1.00 2.02 H new ATOM 0 HB1 ALA A 48 9.888 6.156 8.279 1.00 1.99 H new ATOM 0 HB2 ALA A 48 8.898 4.940 9.122 1.00 1.99 H new ATOM 0 HB3 ALA A 48 9.926 4.456 7.752 1.00 1.99 H new ATOM 697 N ARG A 49 8.841 7.300 5.716 1.00 2.37 N ATOM 698 CA ARG A 49 9.190 7.888 4.431 1.00 2.47 C ATOM 699 C ARG A 49 10.609 7.503 4.004 1.00 2.33 C ATOM 700 O ARG A 49 10.813 7.018 2.898 1.00 2.17 O ATOM 701 CB ARG A 49 9.024 9.408 4.484 1.00 2.87 C ATOM 702 CG ARG A 49 9.874 10.076 5.546 1.00 3.30 C ATOM 703 CD ARG A 49 9.752 11.586 5.486 1.00 3.76 C ATOM 704 NE ARG A 49 8.597 12.099 6.218 1.00 4.15 N ATOM 705 CZ ARG A 49 8.687 12.796 7.353 1.00 4.69 C ATOM 706 NH1 ARG A 49 9.866 12.971 7.933 1.00 4.89 N ATOM 707 NH2 ARG A 49 7.598 13.322 7.894 1.00 5.36 N ATOM 0 H ARG A 49 8.752 7.971 6.479 1.00 2.37 H new ATOM 0 HA ARG A 49 8.509 7.490 3.679 1.00 2.47 H new ATOM 0 HB2 ARG A 49 9.279 9.827 3.510 1.00 2.87 H new ATOM 0 HB3 ARG A 49 7.976 9.644 4.668 1.00 2.87 H new ATOM 0 HG2 ARG A 49 9.570 9.724 6.532 1.00 3.30 H new ATOM 0 HG3 ARG A 49 10.917 9.789 5.413 1.00 3.30 H new ATOM 0 HD2 ARG A 49 10.659 12.034 5.891 1.00 3.76 H new ATOM 0 HD3 ARG A 49 9.681 11.897 4.444 1.00 3.76 H new ATOM 0 HE ARG A 49 7.668 11.914 5.840 1.00 4.15 H new ATOM 0 HH11 ARG A 49 10.706 12.573 7.512 1.00 4.89 H new ATOM 0 HH12 ARG A 49 9.934 13.504 8.800 1.00 4.89 H new ATOM 0 HH21 ARG A 49 6.692 13.194 7.443 1.00 5.36 H new ATOM 0 HH22 ARG A 49 7.666 13.855 8.761 1.00 5.36 H new ATOM 721 N HIS A 50 11.576 7.693 4.901 1.00 2.45 N ATOM 722 CA HIS A 50 12.978 7.368 4.613 1.00 2.44 C ATOM 723 C HIS A 50 13.141 5.884 4.325 1.00 2.06 C ATOM 724 O HIS A 50 13.976 5.481 3.512 1.00 1.95 O ATOM 725 CB HIS A 50 13.897 7.782 5.777 1.00 2.74 C ATOM 726 CG HIS A 50 13.363 7.422 7.135 1.00 2.77 C ATOM 727 ND1 HIS A 50 13.308 6.130 7.614 1.00 2.59 N ATOM 728 CD2 HIS A 50 12.799 8.198 8.093 1.00 2.99 C ATOM 729 CE1 HIS A 50 12.723 6.125 8.795 1.00 2.68 C ATOM 730 NE2 HIS A 50 12.412 7.368 9.113 1.00 2.91 N ATOM 0 H HIS A 50 11.417 8.071 5.835 1.00 2.45 H new ATOM 0 HA HIS A 50 13.270 7.932 3.727 1.00 2.44 H new ATOM 0 HB2 HIS A 50 14.870 7.310 5.644 1.00 2.74 H new ATOM 0 HB3 HIS A 50 14.057 8.859 5.735 1.00 2.74 H new ATOM 0 HD1 HIS A 50 13.665 5.306 7.130 1.00 2.59 H new ATOM 0 HD2 HIS A 50 12.677 9.271 8.059 1.00 2.99 H new ATOM 0 HE1 HIS A 50 12.531 5.252 9.400 1.00 2.68 H new ATOM 739 N GLU A 51 12.321 5.085 4.989 1.00 1.91 N ATOM 740 CA GLU A 51 12.352 3.646 4.824 1.00 1.65 C ATOM 741 C GLU A 51 11.923 3.271 3.433 1.00 1.36 C ATOM 742 O GLU A 51 12.608 2.535 2.726 1.00 1.19 O ATOM 743 CB GLU A 51 11.419 2.974 5.823 1.00 1.68 C ATOM 744 CG GLU A 51 12.147 2.061 6.769 1.00 1.72 C ATOM 745 CD GLU A 51 13.037 2.831 7.727 1.00 2.19 C ATOM 746 OE1 GLU A 51 14.003 3.477 7.266 1.00 2.54 O ATOM 747 OE2 GLU A 51 12.754 2.823 8.942 1.00 2.75 O ATOM 0 H GLU A 51 11.621 5.416 5.653 1.00 1.91 H new ATOM 0 HA GLU A 51 13.374 3.310 4.997 1.00 1.65 H new ATOM 0 HB2 GLU A 51 10.893 3.739 6.394 1.00 1.68 H new ATOM 0 HB3 GLU A 51 10.664 2.404 5.282 1.00 1.68 H new ATOM 0 HG2 GLU A 51 11.424 1.475 7.337 1.00 1.72 H new ATOM 0 HG3 GLU A 51 12.752 1.356 6.199 1.00 1.72 H new ATOM 754 N LEU A 52 10.787 3.802 3.042 1.00 1.41 N ATOM 755 CA LEU A 52 10.205 3.441 1.770 1.00 1.31 C ATOM 756 C LEU A 52 11.038 3.981 0.611 1.00 1.37 C ATOM 757 O LEU A 52 11.029 3.419 -0.483 1.00 1.27 O ATOM 758 CB LEU A 52 8.761 3.931 1.671 1.00 1.57 C ATOM 759 CG LEU A 52 7.807 3.354 2.721 1.00 1.56 C ATOM 760 CD1 LEU A 52 6.411 3.928 2.544 1.00 1.90 C ATOM 761 CD2 LEU A 52 7.776 1.833 2.634 1.00 1.33 C ATOM 0 H LEU A 52 10.251 4.481 3.582 1.00 1.41 H new ATOM 0 HA LEU A 52 10.201 2.353 1.704 1.00 1.31 H new ATOM 0 HB2 LEU A 52 8.756 5.018 1.756 1.00 1.57 H new ATOM 0 HB3 LEU A 52 8.378 3.686 0.680 1.00 1.57 H new ATOM 0 HG LEU A 52 8.171 3.634 3.710 1.00 1.56 H new ATOM 0 HD11 LEU A 52 5.746 3.507 3.298 1.00 1.90 H new ATOM 0 HD12 LEU A 52 6.446 5.012 2.655 1.00 1.90 H new ATOM 0 HD13 LEU A 52 6.038 3.677 1.551 1.00 1.90 H new ATOM 0 HD21 LEU A 52 7.093 1.439 3.387 1.00 1.33 H new ATOM 0 HD22 LEU A 52 7.436 1.532 1.643 1.00 1.33 H new ATOM 0 HD23 LEU A 52 8.777 1.438 2.810 1.00 1.33 H new ATOM 773 N ILE A 53 11.761 5.069 0.854 1.00 1.59 N ATOM 774 CA ILE A 53 12.689 5.596 -0.139 1.00 1.69 C ATOM 775 C ILE A 53 13.762 4.557 -0.454 1.00 1.43 C ATOM 776 O ILE A 53 14.036 4.260 -1.617 1.00 1.32 O ATOM 777 CB ILE A 53 13.361 6.905 0.338 1.00 2.06 C ATOM 778 CG1 ILE A 53 12.317 8.018 0.481 1.00 2.36 C ATOM 779 CG2 ILE A 53 14.462 7.322 -0.628 1.00 2.17 C ATOM 780 CD1 ILE A 53 12.879 9.313 1.028 1.00 2.74 C ATOM 0 H ILE A 53 11.723 5.600 1.724 1.00 1.59 H new ATOM 0 HA ILE A 53 12.114 5.821 -1.038 1.00 1.69 H new ATOM 0 HB ILE A 53 13.812 6.728 1.314 1.00 2.06 H new ATOM 0 HG12 ILE A 53 11.868 8.210 -0.493 1.00 2.36 H new ATOM 0 HG13 ILE A 53 11.518 7.673 1.138 1.00 2.36 H new ATOM 0 HG21 ILE A 53 14.924 8.245 -0.277 1.00 2.17 H new ATOM 0 HG22 ILE A 53 15.216 6.536 -0.682 1.00 2.17 H new ATOM 0 HG23 ILE A 53 14.035 7.484 -1.618 1.00 2.17 H new ATOM 0 HD11 ILE A 53 12.082 10.053 1.101 1.00 2.74 H new ATOM 0 HD12 ILE A 53 13.303 9.137 2.017 1.00 2.74 H new ATOM 0 HD13 ILE A 53 13.657 9.683 0.360 1.00 2.74 H new ATOM 792 N ALA A 54 14.346 3.985 0.594 1.00 1.41 N ATOM 793 CA ALA A 54 15.355 2.944 0.437 1.00 1.31 C ATOM 794 C ALA A 54 14.728 1.667 -0.120 1.00 1.00 C ATOM 795 O ALA A 54 15.384 0.885 -0.812 1.00 0.95 O ATOM 796 CB ALA A 54 16.034 2.661 1.768 1.00 1.50 C ATOM 0 H ALA A 54 14.137 4.226 1.563 1.00 1.41 H new ATOM 0 HA ALA A 54 16.105 3.297 -0.271 1.00 1.31 H new ATOM 0 HB1 ALA A 54 16.785 1.882 1.635 1.00 1.50 H new ATOM 0 HB2 ALA A 54 16.514 3.569 2.132 1.00 1.50 H new ATOM 0 HB3 ALA A 54 15.290 2.329 2.492 1.00 1.50 H new ATOM 802 N LEU A 55 13.446 1.486 0.163 1.00 0.89 N ATOM 803 CA LEU A 55 12.708 0.309 -0.273 1.00 0.74 C ATOM 804 C LEU A 55 12.528 0.356 -1.786 1.00 0.70 C ATOM 805 O LEU A 55 12.623 -0.657 -2.471 1.00 0.73 O ATOM 806 CB LEU A 55 11.351 0.259 0.452 1.00 0.84 C ATOM 807 CG LEU A 55 10.592 -1.076 0.410 1.00 0.76 C ATOM 808 CD1 LEU A 55 9.985 -1.324 -0.959 1.00 1.32 C ATOM 809 CD2 LEU A 55 11.513 -2.222 0.806 1.00 1.01 C ATOM 0 H LEU A 55 12.889 2.150 0.701 1.00 0.89 H new ATOM 0 HA LEU A 55 13.261 -0.597 -0.024 1.00 0.74 H new ATOM 0 HB2 LEU A 55 11.514 0.524 1.497 1.00 0.84 H new ATOM 0 HB3 LEU A 55 10.709 1.029 0.024 1.00 0.84 H new ATOM 0 HG LEU A 55 9.774 -1.021 1.129 1.00 0.76 H new ATOM 0 HD11 LEU A 55 9.455 -2.277 -0.955 1.00 1.32 H new ATOM 0 HD12 LEU A 55 9.287 -0.522 -1.198 1.00 1.32 H new ATOM 0 HD13 LEU A 55 10.776 -1.352 -1.708 1.00 1.32 H new ATOM 0 HD21 LEU A 55 10.961 -3.161 0.771 1.00 1.01 H new ATOM 0 HD22 LEU A 55 12.353 -2.269 0.113 1.00 1.01 H new ATOM 0 HD23 LEU A 55 11.885 -2.057 1.817 1.00 1.01 H new ATOM 821 N LEU A 56 12.292 1.547 -2.304 1.00 0.81 N ATOM 822 CA LEU A 56 12.155 1.743 -3.723 1.00 0.89 C ATOM 823 C LEU A 56 13.540 1.787 -4.372 1.00 0.83 C ATOM 824 O LEU A 56 13.715 1.431 -5.539 1.00 0.90 O ATOM 825 CB LEU A 56 11.362 3.027 -3.954 1.00 1.13 C ATOM 826 CG LEU A 56 11.739 3.827 -5.184 1.00 1.15 C ATOM 827 CD1 LEU A 56 11.363 3.093 -6.467 1.00 1.28 C ATOM 828 CD2 LEU A 56 11.086 5.197 -5.137 1.00 1.68 C ATOM 0 H LEU A 56 12.191 2.398 -1.750 1.00 0.81 H new ATOM 0 HA LEU A 56 11.614 0.917 -4.185 1.00 0.89 H new ATOM 0 HB2 LEU A 56 10.305 2.771 -4.021 1.00 1.13 H new ATOM 0 HB3 LEU A 56 11.480 3.666 -3.079 1.00 1.13 H new ATOM 0 HG LEU A 56 12.822 3.952 -5.186 1.00 1.15 H new ATOM 0 HD11 LEU A 56 11.648 3.697 -7.329 1.00 1.28 H new ATOM 0 HD12 LEU A 56 11.885 2.137 -6.505 1.00 1.28 H new ATOM 0 HD13 LEU A 56 10.287 2.920 -6.485 1.00 1.28 H new ATOM 0 HD21 LEU A 56 11.364 5.763 -6.026 1.00 1.68 H new ATOM 0 HD22 LEU A 56 10.003 5.083 -5.104 1.00 1.68 H new ATOM 0 HD23 LEU A 56 11.422 5.730 -4.248 1.00 1.68 H new ATOM 840 N ARG A 57 14.534 2.193 -3.594 1.00 0.82 N ATOM 841 CA ARG A 57 15.910 2.215 -4.067 1.00 0.88 C ATOM 842 C ARG A 57 16.400 0.797 -4.347 1.00 0.87 C ATOM 843 O ARG A 57 17.272 0.586 -5.191 1.00 0.98 O ATOM 844 CB ARG A 57 16.817 2.908 -3.046 1.00 1.09 C ATOM 845 CG ARG A 57 18.265 3.034 -3.495 1.00 1.53 C ATOM 846 CD ARG A 57 19.082 3.853 -2.510 1.00 1.95 C ATOM 847 NE ARG A 57 18.609 5.234 -2.426 1.00 2.59 N ATOM 848 CZ ARG A 57 18.938 6.081 -1.452 1.00 3.23 C ATOM 849 NH1 ARG A 57 19.708 5.688 -0.445 1.00 3.41 N ATOM 850 NH2 ARG A 57 18.489 7.325 -1.472 1.00 4.07 N ATOM 0 H ARG A 57 14.413 2.511 -2.633 1.00 0.82 H new ATOM 0 HA ARG A 57 15.947 2.781 -4.998 1.00 0.88 H new ATOM 0 HB2 ARG A 57 16.423 3.903 -2.840 1.00 1.09 H new ATOM 0 HB3 ARG A 57 16.784 2.352 -2.109 1.00 1.09 H new ATOM 0 HG2 ARG A 57 18.704 2.041 -3.597 1.00 1.53 H new ATOM 0 HG3 ARG A 57 18.303 3.502 -4.479 1.00 1.53 H new ATOM 0 HD2 ARG A 57 19.031 3.391 -1.524 1.00 1.95 H new ATOM 0 HD3 ARG A 57 20.129 3.846 -2.812 1.00 1.95 H new ATOM 0 HE ARG A 57 17.987 5.571 -3.161 1.00 2.59 H new ATOM 0 HH11 ARG A 57 20.054 4.729 -0.412 1.00 3.41 H new ATOM 0 HH12 ARG A 57 19.954 6.345 0.296 1.00 3.41 H new ATOM 0 HH21 ARG A 57 17.889 7.638 -2.235 1.00 4.07 H new ATOM 0 HH22 ARG A 57 18.743 7.971 -0.725 1.00 4.07 H new ATOM 864 N GLN A 58 15.815 -0.172 -3.651 1.00 0.86 N ATOM 865 CA GLN A 58 16.153 -1.576 -3.855 1.00 1.07 C ATOM 866 C GLN A 58 15.714 -2.030 -5.249 1.00 1.15 C ATOM 867 O GLN A 58 16.316 -2.928 -5.844 1.00 1.40 O ATOM 868 CB GLN A 58 15.485 -2.446 -2.780 1.00 1.15 C ATOM 869 CG GLN A 58 14.176 -3.078 -3.214 1.00 0.96 C ATOM 870 CD GLN A 58 13.490 -3.833 -2.095 1.00 1.15 C ATOM 871 OE1 GLN A 58 14.137 -4.338 -1.179 1.00 1.75 O ATOM 872 NE2 GLN A 58 12.174 -3.932 -2.168 1.00 0.91 N ATOM 0 H GLN A 58 15.103 -0.010 -2.939 1.00 0.86 H new ATOM 0 HA GLN A 58 17.234 -1.689 -3.774 1.00 1.07 H new ATOM 0 HB2 GLN A 58 16.177 -3.236 -2.487 1.00 1.15 H new ATOM 0 HB3 GLN A 58 15.305 -1.835 -1.895 1.00 1.15 H new ATOM 0 HG2 GLN A 58 13.508 -2.301 -3.585 1.00 0.96 H new ATOM 0 HG3 GLN A 58 14.364 -3.759 -4.044 1.00 0.96 H new ATOM 0 HE21 GLN A 58 11.672 -3.499 -2.944 1.00 0.91 H new ATOM 0 HE22 GLN A 58 11.660 -4.441 -1.449 1.00 0.91 H new ATOM 881 N LEU A 59 14.674 -1.378 -5.765 1.00 1.05 N ATOM 882 CA LEU A 59 14.079 -1.739 -7.047 1.00 1.27 C ATOM 883 C LEU A 59 14.967 -1.302 -8.199 1.00 1.30 C ATOM 884 O LEU A 59 14.833 -1.789 -9.321 1.00 1.61 O ATOM 885 CB LEU A 59 12.701 -1.091 -7.183 1.00 1.40 C ATOM 886 CG LEU A 59 11.758 -1.340 -6.009 1.00 1.61 C ATOM 887 CD1 LEU A 59 10.418 -0.667 -6.248 1.00 1.94 C ATOM 888 CD2 LEU A 59 11.578 -2.830 -5.788 1.00 2.47 C ATOM 0 H LEU A 59 14.222 -0.587 -5.306 1.00 1.05 H new ATOM 0 HA LEU A 59 13.976 -2.824 -7.082 1.00 1.27 H new ATOM 0 HB2 LEU A 59 12.831 -0.016 -7.305 1.00 1.40 H new ATOM 0 HB3 LEU A 59 12.230 -1.460 -8.094 1.00 1.40 H new ATOM 0 HG LEU A 59 12.199 -0.908 -5.111 1.00 1.61 H new ATOM 0 HD11 LEU A 59 9.760 -0.856 -5.400 1.00 1.94 H new ATOM 0 HD12 LEU A 59 10.565 0.407 -6.361 1.00 1.94 H new ATOM 0 HD13 LEU A 59 9.966 -1.068 -7.155 1.00 1.94 H new ATOM 0 HD21 LEU A 59 10.903 -2.994 -4.948 1.00 2.47 H new ATOM 0 HD22 LEU A 59 11.157 -3.283 -6.686 1.00 2.47 H new ATOM 0 HD23 LEU A 59 12.544 -3.285 -5.571 1.00 2.47 H new ATOM 900 N GLN A 60 15.861 -0.370 -7.915 1.00 1.09 N ATOM 901 CA GLN A 60 16.797 0.121 -8.911 1.00 1.19 C ATOM 902 C GLN A 60 18.077 -0.704 -8.870 1.00 1.31 C ATOM 903 O GLN A 60 18.872 -0.588 -7.935 1.00 1.42 O ATOM 904 CB GLN A 60 17.083 1.601 -8.668 1.00 1.31 C ATOM 905 CG GLN A 60 15.873 2.479 -8.939 1.00 1.43 C ATOM 906 CD GLN A 60 16.037 3.892 -8.428 1.00 1.79 C ATOM 907 OE1 GLN A 60 16.549 4.765 -9.127 1.00 2.58 O ATOM 908 NE2 GLN A 60 15.586 4.132 -7.209 1.00 1.95 N ATOM 0 H GLN A 60 15.958 0.064 -6.997 1.00 1.09 H new ATOM 0 HA GLN A 60 16.360 0.019 -9.905 1.00 1.19 H new ATOM 0 HB2 GLN A 60 17.406 1.741 -7.636 1.00 1.31 H new ATOM 0 HB3 GLN A 60 17.908 1.918 -9.306 1.00 1.31 H new ATOM 0 HG2 GLN A 60 15.685 2.507 -10.012 1.00 1.43 H new ATOM 0 HG3 GLN A 60 14.995 2.031 -8.474 1.00 1.43 H new ATOM 0 HE21 GLN A 60 15.168 3.379 -6.662 1.00 1.95 H new ATOM 0 HE22 GLN A 60 15.656 5.070 -6.815 1.00 1.95 H new ATOM 1254 N GLY B 8 -19.697 -0.070 -7.805 1.00 4.66 N ATOM 1255 CA GLY B 8 -20.261 -0.713 -6.637 1.00 4.09 C ATOM 1256 C GLY B 8 -19.665 -2.082 -6.411 1.00 4.04 C ATOM 1257 O GLY B 8 -19.407 -2.473 -5.276 1.00 3.54 O ATOM 0 HA2 GLY B 8 -20.087 -0.091 -5.759 1.00 4.09 H new ATOM 0 HA3 GLY B 8 -21.341 -0.801 -6.756 1.00 4.09 H new ATOM 1261 N ALA B 9 -19.423 -2.805 -7.500 1.00 4.69 N ATOM 1262 CA ALA B 9 -18.807 -4.123 -7.421 1.00 4.91 C ATOM 1263 C ALA B 9 -17.368 -4.002 -6.938 1.00 4.50 C ATOM 1264 O ALA B 9 -16.883 -4.842 -6.175 1.00 4.40 O ATOM 1265 CB ALA B 9 -18.857 -4.820 -8.770 1.00 5.78 C ATOM 0 H ALA B 9 -19.645 -2.499 -8.448 1.00 4.69 H new ATOM 0 HA ALA B 9 -19.367 -4.725 -6.705 1.00 4.91 H new ATOM 0 HB1 ALA B 9 -18.392 -5.802 -8.689 1.00 5.78 H new ATOM 0 HB2 ALA B 9 -19.895 -4.934 -9.082 1.00 5.78 H new ATOM 0 HB3 ALA B 9 -18.320 -4.224 -9.508 1.00 5.78 H new ATOM 1271 N LEU B 10 -16.694 -2.942 -7.380 1.00 4.38 N ATOM 1272 CA LEU B 10 -15.333 -2.664 -6.943 1.00 3.97 C ATOM 1273 C LEU B 10 -15.308 -2.440 -5.437 1.00 3.17 C ATOM 1274 O LEU B 10 -14.483 -3.014 -4.729 1.00 2.96 O ATOM 1275 CB LEU B 10 -14.778 -1.439 -7.678 1.00 4.13 C ATOM 1276 CG LEU B 10 -13.411 -0.941 -7.196 1.00 3.77 C ATOM 1277 CD1 LEU B 10 -12.339 -2.002 -7.398 1.00 3.68 C ATOM 1278 CD2 LEU B 10 -13.026 0.339 -7.921 1.00 4.12 C ATOM 0 H LEU B 10 -17.071 -2.263 -8.041 1.00 4.38 H new ATOM 0 HA LEU B 10 -14.702 -3.521 -7.180 1.00 3.97 H new ATOM 0 HB2 LEU B 10 -14.705 -1.677 -8.739 1.00 4.13 H new ATOM 0 HB3 LEU B 10 -15.496 -0.624 -7.583 1.00 4.13 H new ATOM 0 HG LEU B 10 -13.487 -0.733 -6.129 1.00 3.77 H new ATOM 0 HD11 LEU B 10 -11.380 -1.621 -7.047 1.00 3.68 H new ATOM 0 HD12 LEU B 10 -12.602 -2.897 -6.834 1.00 3.68 H new ATOM 0 HD13 LEU B 10 -12.266 -2.249 -8.457 1.00 3.68 H new ATOM 0 HD21 LEU B 10 -12.053 0.679 -7.567 1.00 4.12 H new ATOM 0 HD22 LEU B 10 -12.976 0.149 -8.993 1.00 4.12 H new ATOM 0 HD23 LEU B 10 -13.773 1.108 -7.723 1.00 4.12 H new ATOM 1290 N LEU B 11 -16.243 -1.630 -4.960 1.00 2.86 N ATOM 1291 CA LEU B 11 -16.385 -1.362 -3.536 1.00 2.18 C ATOM 1292 C LEU B 11 -16.719 -2.658 -2.800 1.00 2.26 C ATOM 1293 O LEU B 11 -16.075 -3.007 -1.813 1.00 2.13 O ATOM 1294 CB LEU B 11 -17.482 -0.301 -3.323 1.00 2.17 C ATOM 1295 CG LEU B 11 -17.617 0.289 -1.907 1.00 1.84 C ATOM 1296 CD1 LEU B 11 -18.326 -0.675 -0.962 1.00 1.83 C ATOM 1297 CD2 LEU B 11 -16.250 0.666 -1.355 1.00 1.71 C ATOM 0 H LEU B 11 -16.921 -1.143 -5.546 1.00 2.86 H new ATOM 0 HA LEU B 11 -15.449 -0.975 -3.134 1.00 2.18 H new ATOM 0 HB2 LEU B 11 -17.299 0.520 -4.016 1.00 2.17 H new ATOM 0 HB3 LEU B 11 -18.439 -0.743 -3.599 1.00 2.17 H new ATOM 0 HG LEU B 11 -18.228 1.189 -1.981 1.00 1.84 H new ATOM 0 HD11 LEU B 11 -18.403 -0.224 0.027 1.00 1.83 H new ATOM 0 HD12 LEU B 11 -19.325 -0.888 -1.342 1.00 1.83 H new ATOM 0 HD13 LEU B 11 -17.758 -1.603 -0.895 1.00 1.83 H new ATOM 0 HD21 LEU B 11 -16.364 1.081 -0.354 1.00 1.71 H new ATOM 0 HD22 LEU B 11 -15.618 -0.221 -1.310 1.00 1.71 H new ATOM 0 HD23 LEU B 11 -15.787 1.408 -2.005 1.00 1.71 H new ATOM 1309 N ALA B 12 -17.709 -3.380 -3.317 1.00 2.76 N ATOM 1310 CA ALA B 12 -18.182 -4.611 -2.696 1.00 3.14 C ATOM 1311 C ALA B 12 -17.060 -5.627 -2.495 1.00 3.58 C ATOM 1312 O ALA B 12 -16.849 -6.112 -1.383 1.00 3.74 O ATOM 1313 CB ALA B 12 -19.299 -5.226 -3.527 1.00 3.68 C ATOM 0 H ALA B 12 -18.203 -3.129 -4.173 1.00 2.76 H new ATOM 0 HA ALA B 12 -18.564 -4.347 -1.710 1.00 3.14 H new ATOM 0 HB1 ALA B 12 -19.643 -6.145 -3.052 1.00 3.68 H new ATOM 0 HB2 ALA B 12 -20.128 -4.522 -3.599 1.00 3.68 H new ATOM 0 HB3 ALA B 12 -18.927 -5.452 -4.526 1.00 3.68 H new ATOM 1319 N HIS B 13 -16.327 -5.945 -3.558 1.00 3.94 N ATOM 1320 CA HIS B 13 -15.302 -6.980 -3.460 1.00 4.46 C ATOM 1321 C HIS B 13 -14.088 -6.475 -2.680 1.00 4.06 C ATOM 1322 O HIS B 13 -13.387 -7.258 -2.041 1.00 4.48 O ATOM 1323 CB HIS B 13 -14.905 -7.531 -4.845 1.00 5.05 C ATOM 1324 CG HIS B 13 -13.858 -6.755 -5.590 1.00 4.87 C ATOM 1325 ND1 HIS B 13 -13.943 -5.631 -6.333 1.00 4.94 N flip ATOM 1326 CD2 HIS B 13 -12.545 -7.153 -5.660 1.00 4.82 C flip ATOM 1327 CE1 HIS B 13 -12.691 -5.369 -6.832 1.00 4.81 C flip ATOM 1328 NE2 HIS B 13 -11.866 -6.305 -6.404 1.00 4.82 N flip ATOM 0 H HIS B 13 -16.419 -5.513 -4.477 1.00 3.94 H new ATOM 0 HA HIS B 13 -15.729 -7.814 -2.904 1.00 4.46 H new ATOM 0 HB2 HIS B 13 -14.549 -8.553 -4.718 1.00 5.05 H new ATOM 0 HB3 HIS B 13 -15.801 -7.580 -5.464 1.00 5.05 H new ATOM 0 HD2 HIS B 13 -12.133 -8.027 -5.179 1.00 4.82 H new ATOM 0 HE1 HIS B 13 -12.426 -4.537 -7.468 1.00 4.81 H new ATOM 0 HE2 HIS B 13 -10.870 -6.362 -6.614 1.00 4.82 H new ATOM 1337 N ALA B 14 -13.848 -5.167 -2.714 1.00 3.33 N ATOM 1338 CA ALA B 14 -12.753 -4.584 -1.948 1.00 2.95 C ATOM 1339 C ALA B 14 -13.033 -4.690 -0.454 1.00 2.97 C ATOM 1340 O ALA B 14 -12.154 -5.054 0.330 1.00 3.30 O ATOM 1341 CB ALA B 14 -12.521 -3.134 -2.347 1.00 2.26 C ATOM 0 H ALA B 14 -14.392 -4.497 -3.258 1.00 3.33 H new ATOM 0 HA ALA B 14 -11.846 -5.145 -2.172 1.00 2.95 H new ATOM 0 HB1 ALA B 14 -11.699 -2.722 -1.761 1.00 2.26 H new ATOM 0 HB2 ALA B 14 -12.272 -3.084 -3.407 1.00 2.26 H new ATOM 0 HB3 ALA B 14 -13.426 -2.556 -2.159 1.00 2.26 H new ATOM 1347 N ALA B 15 -14.267 -4.378 -0.071 1.00 2.80 N ATOM 1348 CA ALA B 15 -14.700 -4.498 1.316 1.00 3.07 C ATOM 1349 C ALA B 15 -14.683 -5.954 1.764 1.00 3.91 C ATOM 1350 O ALA B 15 -14.280 -6.266 2.884 1.00 4.37 O ATOM 1351 CB ALA B 15 -16.095 -3.913 1.492 1.00 2.79 C ATOM 0 H ALA B 15 -14.989 -4.038 -0.707 1.00 2.80 H new ATOM 0 HA ALA B 15 -14.002 -3.937 1.938 1.00 3.07 H new ATOM 0 HB1 ALA B 15 -16.402 -4.011 2.533 1.00 2.79 H new ATOM 0 HB2 ALA B 15 -16.085 -2.859 1.214 1.00 2.79 H new ATOM 0 HB3 ALA B 15 -16.798 -4.450 0.854 1.00 2.79 H new ATOM 1357 N SER B 16 -15.113 -6.839 0.869 1.00 4.22 N ATOM 1358 CA SER B 16 -15.147 -8.268 1.152 1.00 5.05 C ATOM 1359 C SER B 16 -13.743 -8.810 1.424 1.00 5.46 C ATOM 1360 O SER B 16 -13.558 -9.679 2.276 1.00 6.10 O ATOM 1361 CB SER B 16 -15.790 -9.022 -0.019 1.00 5.36 C ATOM 1362 OG SER B 16 -17.106 -8.549 -0.263 1.00 5.53 O ATOM 0 H SER B 16 -15.444 -6.588 -0.063 1.00 4.22 H new ATOM 0 HA SER B 16 -15.747 -8.423 2.048 1.00 5.05 H new ATOM 0 HB2 SER B 16 -15.182 -8.897 -0.915 1.00 5.36 H new ATOM 0 HB3 SER B 16 -15.818 -10.089 0.201 1.00 5.36 H new ATOM 0 HG SER B 16 -17.075 -7.816 -0.913 1.00 5.53 H new ATOM 1368 N LEU B 17 -12.756 -8.287 0.704 1.00 5.11 N ATOM 1369 CA LEU B 17 -11.373 -8.700 0.907 1.00 5.45 C ATOM 1370 C LEU B 17 -10.759 -7.958 2.087 1.00 5.30 C ATOM 1371 O LEU B 17 -9.820 -8.441 2.718 1.00 5.77 O ATOM 1372 CB LEU B 17 -10.542 -8.442 -0.354 1.00 5.21 C ATOM 1373 CG LEU B 17 -10.992 -9.200 -1.603 1.00 5.62 C ATOM 1374 CD1 LEU B 17 -10.059 -8.894 -2.766 1.00 5.51 C ATOM 1375 CD2 LEU B 17 -11.045 -10.697 -1.331 1.00 6.49 C ATOM 0 H LEU B 17 -12.887 -7.581 -0.021 1.00 5.11 H new ATOM 0 HA LEU B 17 -11.369 -9.769 1.121 1.00 5.45 H new ATOM 0 HB2 LEU B 17 -10.564 -7.374 -0.571 1.00 5.21 H new ATOM 0 HB3 LEU B 17 -9.505 -8.704 -0.145 1.00 5.21 H new ATOM 0 HG LEU B 17 -11.996 -8.870 -1.870 1.00 5.62 H new ATOM 0 HD11 LEU B 17 -10.389 -9.439 -3.650 1.00 5.51 H new ATOM 0 HD12 LEU B 17 -10.074 -7.824 -2.973 1.00 5.51 H new ATOM 0 HD13 LEU B 17 -9.045 -9.199 -2.509 1.00 5.51 H new ATOM 0 HD21 LEU B 17 -11.367 -11.219 -2.232 1.00 6.49 H new ATOM 0 HD22 LEU B 17 -10.055 -11.050 -1.042 1.00 6.49 H new ATOM 0 HD23 LEU B 17 -11.751 -10.895 -0.524 1.00 6.49 H new ATOM 1387 N GLY B 18 -11.298 -6.785 2.387 1.00 4.72 N ATOM 1388 CA GLY B 18 -10.816 -6.007 3.508 1.00 4.73 C ATOM 1389 C GLY B 18 -9.648 -5.119 3.142 1.00 4.26 C ATOM 1390 O GLY B 18 -8.780 -4.857 3.974 1.00 4.55 O ATOM 0 H GLY B 18 -12.066 -6.357 1.870 1.00 4.72 H new ATOM 0 HA2 GLY B 18 -11.628 -5.391 3.894 1.00 4.73 H new ATOM 0 HA3 GLY B 18 -10.517 -6.681 4.311 1.00 4.73 H new ATOM 1394 N VAL B 19 -9.624 -4.652 1.895 1.00 3.60 N ATOM 1395 CA VAL B 19 -8.571 -3.754 1.433 1.00 3.07 C ATOM 1396 C VAL B 19 -8.806 -2.356 1.993 1.00 2.71 C ATOM 1397 O VAL B 19 -9.869 -1.773 1.796 1.00 2.39 O ATOM 1398 CB VAL B 19 -8.505 -3.690 -0.110 1.00 2.62 C ATOM 1399 CG1 VAL B 19 -7.346 -2.818 -0.567 1.00 2.10 C ATOM 1400 CG2 VAL B 19 -8.379 -5.086 -0.700 1.00 3.34 C ATOM 0 H VAL B 19 -10.322 -4.881 1.188 1.00 3.60 H new ATOM 0 HA VAL B 19 -7.619 -4.146 1.792 1.00 3.07 H new ATOM 0 HB VAL B 19 -9.433 -3.244 -0.468 1.00 2.62 H new ATOM 0 HG11 VAL B 19 -7.320 -2.789 -1.656 1.00 2.10 H new ATOM 0 HG12 VAL B 19 -7.476 -1.808 -0.180 1.00 2.10 H new ATOM 0 HG13 VAL B 19 -6.410 -3.232 -0.193 1.00 2.10 H new ATOM 0 HG21 VAL B 19 -8.334 -5.019 -1.787 1.00 3.34 H new ATOM 0 HG22 VAL B 19 -7.470 -5.558 -0.328 1.00 3.34 H new ATOM 0 HG23 VAL B 19 -9.243 -5.683 -0.409 1.00 3.34 H new ATOM 1410 N ARG B 20 -7.821 -1.831 2.706 1.00 2.95 N ATOM 1411 CA ARG B 20 -7.975 -0.560 3.400 1.00 3.09 C ATOM 1412 C ARG B 20 -6.826 0.385 3.075 1.00 2.88 C ATOM 1413 O ARG B 20 -5.660 -0.004 3.127 1.00 2.99 O ATOM 1414 CB ARG B 20 -8.033 -0.806 4.910 1.00 3.99 C ATOM 1415 CG ARG B 20 -8.965 -1.944 5.296 1.00 4.33 C ATOM 1416 CD ARG B 20 -8.894 -2.271 6.777 1.00 5.13 C ATOM 1417 NE ARG B 20 -9.572 -3.535 7.062 1.00 5.49 N ATOM 1418 CZ ARG B 20 -9.472 -4.202 8.212 1.00 6.26 C ATOM 1419 NH1 ARG B 20 -8.756 -3.713 9.220 1.00 6.80 N ATOM 1420 NH2 ARG B 20 -10.092 -5.368 8.350 1.00 6.67 N ATOM 0 H ARG B 20 -6.905 -2.266 2.820 1.00 2.95 H new ATOM 0 HA ARG B 20 -8.902 -0.094 3.066 1.00 3.09 H new ATOM 0 HB2 ARG B 20 -7.030 -1.027 5.274 1.00 3.99 H new ATOM 0 HB3 ARG B 20 -8.359 0.107 5.408 1.00 3.99 H new ATOM 0 HG2 ARG B 20 -9.989 -1.677 5.034 1.00 4.33 H new ATOM 0 HG3 ARG B 20 -8.709 -2.832 4.718 1.00 4.33 H new ATOM 0 HD2 ARG B 20 -7.852 -2.333 7.091 1.00 5.13 H new ATOM 0 HD3 ARG B 20 -9.353 -1.468 7.354 1.00 5.13 H new ATOM 0 HE ARG B 20 -10.162 -3.933 6.331 1.00 5.49 H new ATOM 0 HH11 ARG B 20 -8.276 -2.819 9.118 1.00 6.80 H new ATOM 0 HH12 ARG B 20 -8.687 -4.232 10.095 1.00 6.80 H new ATOM 0 HH21 ARG B 20 -10.641 -5.748 7.579 1.00 6.67 H new ATOM 0 HH22 ARG B 20 -10.020 -5.883 9.227 1.00 6.67 H new ATOM 1434 N LEU B 21 -7.161 1.617 2.718 1.00 2.77 N ATOM 1435 CA LEU B 21 -6.159 2.643 2.473 1.00 2.92 C ATOM 1436 C LEU B 21 -6.565 3.944 3.150 1.00 3.68 C ATOM 1437 O LEU B 21 -7.668 4.448 2.937 1.00 3.80 O ATOM 1438 CB LEU B 21 -5.954 2.897 0.975 1.00 2.28 C ATOM 1439 CG LEU B 21 -5.312 1.756 0.185 1.00 1.58 C ATOM 1440 CD1 LEU B 21 -6.369 0.792 -0.329 1.00 1.07 C ATOM 1441 CD2 LEU B 21 -4.486 2.307 -0.965 1.00 1.46 C ATOM 0 H LEU B 21 -8.123 1.930 2.591 1.00 2.77 H new ATOM 0 HA LEU B 21 -5.219 2.282 2.889 1.00 2.92 H new ATOM 0 HB2 LEU B 21 -6.923 3.122 0.529 1.00 2.28 H new ATOM 0 HB3 LEU B 21 -5.335 3.787 0.859 1.00 2.28 H new ATOM 0 HG LEU B 21 -4.650 1.206 0.855 1.00 1.58 H new ATOM 0 HD11 LEU B 21 -5.888 -0.011 -0.888 1.00 1.07 H new ATOM 0 HD12 LEU B 21 -6.917 0.370 0.513 1.00 1.07 H new ATOM 0 HD13 LEU B 21 -7.061 1.325 -0.982 1.00 1.07 H new ATOM 0 HD21 LEU B 21 -4.036 1.482 -1.517 1.00 1.46 H new ATOM 0 HD22 LEU B 21 -5.129 2.882 -1.632 1.00 1.46 H new ATOM 0 HD23 LEU B 21 -3.700 2.952 -0.572 1.00 1.46 H new ATOM 1453 N TRP B 22 -5.677 4.479 3.969 1.00 4.27 N ATOM 1454 CA TRP B 22 -5.929 5.746 4.635 1.00 5.07 C ATOM 1455 C TRP B 22 -4.642 6.552 4.736 1.00 5.46 C ATOM 1456 O TRP B 22 -3.574 6.008 5.028 1.00 5.34 O ATOM 1457 CB TRP B 22 -6.547 5.528 6.027 1.00 5.66 C ATOM 1458 CG TRP B 22 -5.635 4.880 7.031 1.00 5.95 C ATOM 1459 CD1 TRP B 22 -4.967 5.500 8.049 1.00 6.65 C ATOM 1460 CD2 TRP B 22 -5.296 3.488 7.119 1.00 5.65 C ATOM 1461 NE1 TRP B 22 -4.235 4.583 8.762 1.00 6.80 N ATOM 1462 CE2 TRP B 22 -4.419 3.341 8.210 1.00 6.24 C ATOM 1463 CE3 TRP B 22 -5.643 2.355 6.378 1.00 5.04 C ATOM 1464 CZ2 TRP B 22 -3.892 2.106 8.580 1.00 6.30 C ATOM 1465 CZ3 TRP B 22 -5.120 1.132 6.748 1.00 5.15 C ATOM 1466 CH2 TRP B 22 -4.252 1.016 7.839 1.00 5.80 C ATOM 0 H TRP B 22 -4.775 4.057 4.189 1.00 4.27 H new ATOM 0 HA TRP B 22 -6.647 6.309 4.038 1.00 5.07 H new ATOM 0 HB2 TRP B 22 -6.869 6.492 6.420 1.00 5.66 H new ATOM 0 HB3 TRP B 22 -7.440 4.913 5.919 1.00 5.66 H new ATOM 0 HD1 TRP B 22 -5.009 6.558 8.262 1.00 6.65 H new ATOM 0 HE1 TRP B 22 -3.650 4.792 9.571 1.00 6.80 H new ATOM 0 HE3 TRP B 22 -6.308 2.435 5.531 1.00 5.04 H new ATOM 0 HZ2 TRP B 22 -3.223 2.013 9.423 1.00 6.30 H new ATOM 0 HZ3 TRP B 22 -5.386 0.249 6.185 1.00 5.15 H new ATOM 0 HH2 TRP B 22 -3.858 0.045 8.101 1.00 5.80 H new ATOM 1477 N VAL B 23 -4.739 7.844 4.463 1.00 5.98 N ATOM 1478 CA VAL B 23 -3.580 8.713 4.537 1.00 6.42 C ATOM 1479 C VAL B 23 -3.539 9.420 5.885 1.00 7.21 C ATOM 1480 O VAL B 23 -4.460 10.154 6.249 1.00 7.74 O ATOM 1481 CB VAL B 23 -3.544 9.742 3.377 1.00 6.77 C ATOM 1482 CG1 VAL B 23 -4.829 10.557 3.301 1.00 7.35 C ATOM 1483 CG2 VAL B 23 -2.332 10.658 3.506 1.00 7.25 C ATOM 0 H VAL B 23 -5.604 8.310 4.190 1.00 5.98 H new ATOM 0 HA VAL B 23 -2.693 8.087 4.435 1.00 6.42 H new ATOM 0 HB VAL B 23 -3.459 9.181 2.447 1.00 6.77 H new ATOM 0 HG11 VAL B 23 -4.762 11.266 2.475 1.00 7.35 H new ATOM 0 HG12 VAL B 23 -5.675 9.889 3.138 1.00 7.35 H new ATOM 0 HG13 VAL B 23 -4.971 11.101 4.235 1.00 7.35 H new ATOM 0 HG21 VAL B 23 -2.326 11.372 2.682 1.00 7.25 H new ATOM 0 HG22 VAL B 23 -2.382 11.196 4.452 1.00 7.25 H new ATOM 0 HG23 VAL B 23 -1.420 10.061 3.476 1.00 7.25 H new ATOM 1493 N GLU B 24 -2.484 9.165 6.637 1.00 7.30 N ATOM 1494 CA GLU B 24 -2.325 9.778 7.939 1.00 8.08 C ATOM 1495 C GLU B 24 -1.141 10.729 7.915 1.00 8.45 C ATOM 1496 O GLU B 24 0.005 10.311 7.719 1.00 8.09 O ATOM 1497 CB GLU B 24 -2.147 8.709 9.018 1.00 7.99 C ATOM 1498 CG GLU B 24 -2.078 9.269 10.427 1.00 8.87 C ATOM 1499 CD GLU B 24 -2.036 8.181 11.476 1.00 9.06 C ATOM 1500 OE1 GLU B 24 -3.111 7.704 11.891 1.00 9.44 O ATOM 1501 OE2 GLU B 24 -0.923 7.786 11.883 1.00 9.18 O ATOM 0 H GLU B 24 -1.726 8.538 6.367 1.00 7.30 H new ATOM 0 HA GLU B 24 -3.224 10.346 8.179 1.00 8.08 H new ATOM 0 HB2 GLU B 24 -2.975 8.003 8.957 1.00 7.99 H new ATOM 0 HB3 GLU B 24 -1.235 8.148 8.814 1.00 7.99 H new ATOM 0 HG2 GLU B 24 -1.192 9.897 10.523 1.00 8.87 H new ATOM 0 HG3 GLU B 24 -2.943 9.908 10.604 1.00 8.87 H new ATOM 1508 N GLY B 25 -1.430 12.007 8.078 1.00 9.20 N ATOM 1509 CA GLY B 25 -0.399 13.013 8.004 1.00 9.66 C ATOM 1510 C GLY B 25 0.038 13.248 6.577 1.00 9.29 C ATOM 1511 O GLY B 25 -0.628 13.961 5.827 1.00 9.46 O ATOM 0 H GLY B 25 -2.367 12.367 8.261 1.00 9.20 H new ATOM 0 HA2 GLY B 25 -0.767 13.946 8.432 1.00 9.66 H new ATOM 0 HA3 GLY B 25 0.458 12.703 8.603 1.00 9.66 H new ATOM 1515 N GLU B 26 1.147 12.632 6.200 1.00 8.83 N ATOM 1516 CA GLU B 26 1.676 12.771 4.851 1.00 8.54 C ATOM 1517 C GLU B 26 1.689 11.435 4.112 1.00 7.58 C ATOM 1518 O GLU B 26 1.807 11.392 2.885 1.00 7.39 O ATOM 1519 CB GLU B 26 3.102 13.317 4.909 1.00 8.75 C ATOM 1520 CG GLU B 26 4.037 12.450 5.739 1.00 9.32 C ATOM 1521 CD GLU B 26 5.489 12.758 5.485 1.00 8.94 C ATOM 1522 OE1 GLU B 26 5.922 13.889 5.773 1.00 9.25 O ATOM 1523 OE2 GLU B 26 6.213 11.861 5.004 1.00 9.09 O ATOM 0 H GLU B 26 1.700 12.030 6.810 1.00 8.83 H new ATOM 0 HA GLU B 26 1.026 13.460 4.311 1.00 8.54 H new ATOM 0 HB2 GLU B 26 3.495 13.399 3.896 1.00 8.75 H new ATOM 0 HB3 GLU B 26 3.083 14.324 5.326 1.00 8.75 H new ATOM 0 HG2 GLU B 26 3.818 12.595 6.797 1.00 9.32 H new ATOM 0 HG3 GLU B 26 3.847 11.400 5.515 1.00 9.32 H new ATOM 1530 N ARG B 27 1.565 10.344 4.852 1.00 7.08 N ATOM 1531 CA ARG B 27 1.854 9.037 4.288 1.00 6.17 C ATOM 1532 C ARG B 27 0.615 8.154 4.233 1.00 5.81 C ATOM 1533 O ARG B 27 -0.107 7.997 5.221 1.00 6.17 O ATOM 1534 CB ARG B 27 2.970 8.369 5.095 1.00 5.82 C ATOM 1535 CG ARG B 27 3.827 7.400 4.291 1.00 5.05 C ATOM 1536 CD ARG B 27 4.279 8.013 2.973 1.00 5.18 C ATOM 1537 NE ARG B 27 5.039 9.247 3.174 1.00 5.89 N ATOM 1538 CZ ARG B 27 5.552 9.977 2.184 1.00 6.56 C ATOM 1539 NH1 ARG B 27 5.397 9.602 0.922 1.00 6.63 N ATOM 1540 NH2 ARG B 27 6.215 11.092 2.456 1.00 7.34 N ATOM 0 H ARG B 27 1.271 10.337 5.829 1.00 7.08 H new ATOM 0 HA ARG B 27 2.186 9.173 3.259 1.00 6.17 H new ATOM 0 HB2 ARG B 27 3.613 9.143 5.515 1.00 5.82 H new ATOM 0 HB3 ARG B 27 2.526 7.834 5.934 1.00 5.82 H new ATOM 0 HG2 ARG B 27 4.700 7.112 4.877 1.00 5.05 H new ATOM 0 HG3 ARG B 27 3.261 6.490 4.094 1.00 5.05 H new ATOM 0 HD2 ARG B 27 4.892 7.294 2.430 1.00 5.18 H new ATOM 0 HD3 ARG B 27 3.408 8.221 2.352 1.00 5.18 H new ATOM 0 HE ARG B 27 5.185 9.568 4.131 1.00 5.89 H new ATOM 0 HH11 ARG B 27 4.882 8.749 0.703 1.00 6.63 H new ATOM 0 HH12 ARG B 27 5.793 10.166 0.170 1.00 6.63 H new ATOM 0 HH21 ARG B 27 6.333 11.392 3.424 1.00 7.34 H new ATOM 0 HH22 ARG B 27 6.607 11.650 1.698 1.00 7.34 H new ATOM 1554 N LEU B 28 0.373 7.610 3.051 1.00 5.18 N ATOM 1555 CA LEU B 28 -0.714 6.669 2.819 1.00 4.75 C ATOM 1556 C LEU B 28 -0.350 5.308 3.418 1.00 4.35 C ATOM 1557 O LEU B 28 0.703 4.751 3.109 1.00 3.95 O ATOM 1558 CB LEU B 28 -0.956 6.568 1.296 1.00 4.29 C ATOM 1559 CG LEU B 28 -2.211 5.807 0.818 1.00 3.68 C ATOM 1560 CD1 LEU B 28 -2.051 4.304 0.973 1.00 3.48 C ATOM 1561 CD2 LEU B 28 -3.448 6.288 1.556 1.00 3.83 C ATOM 0 H LEU B 28 0.928 7.810 2.219 1.00 5.18 H new ATOM 0 HA LEU B 28 -1.630 7.010 3.301 1.00 4.75 H new ATOM 0 HB2 LEU B 28 -1.005 7.581 0.896 1.00 4.29 H new ATOM 0 HB3 LEU B 28 -0.084 6.091 0.849 1.00 4.29 H new ATOM 0 HG LEU B 28 -2.334 6.019 -0.244 1.00 3.68 H new ATOM 0 HD11 LEU B 28 -2.955 3.804 0.626 1.00 3.48 H new ATOM 0 HD12 LEU B 28 -1.200 3.966 0.382 1.00 3.48 H new ATOM 0 HD13 LEU B 28 -1.883 4.062 2.023 1.00 3.48 H new ATOM 0 HD21 LEU B 28 -4.320 5.737 1.202 1.00 3.83 H new ATOM 0 HD22 LEU B 28 -3.322 6.120 2.626 1.00 3.83 H new ATOM 0 HD23 LEU B 28 -3.591 7.352 1.371 1.00 3.83 H new ATOM 1573 N ARG B 29 -1.204 4.791 4.295 1.00 4.62 N ATOM 1574 CA ARG B 29 -1.001 3.463 4.862 1.00 4.54 C ATOM 1575 C ARG B 29 -1.883 2.446 4.153 1.00 3.87 C ATOM 1576 O ARG B 29 -3.009 2.759 3.759 1.00 3.74 O ATOM 1577 CB ARG B 29 -1.295 3.436 6.364 1.00 5.38 C ATOM 1578 CG ARG B 29 -0.138 3.891 7.241 1.00 6.16 C ATOM 1579 CD ARG B 29 0.082 5.391 7.164 1.00 6.30 C ATOM 1580 NE ARG B 29 1.156 5.832 8.053 1.00 6.97 N ATOM 1581 CZ ARG B 29 0.961 6.267 9.295 1.00 7.39 C ATOM 1582 NH1 ARG B 29 -0.249 6.225 9.833 1.00 7.29 N ATOM 1583 NH2 ARG B 29 1.986 6.712 10.005 1.00 8.07 N ATOM 0 H ARG B 29 -2.041 5.270 4.628 1.00 4.62 H new ATOM 0 HA ARG B 29 0.048 3.204 4.716 1.00 4.54 H new ATOM 0 HB2 ARG B 29 -2.158 4.071 6.564 1.00 5.38 H new ATOM 0 HB3 ARG B 29 -1.573 2.421 6.649 1.00 5.38 H new ATOM 0 HG2 ARG B 29 -0.334 3.606 8.275 1.00 6.16 H new ATOM 0 HG3 ARG B 29 0.772 3.375 6.935 1.00 6.16 H new ATOM 0 HD2 ARG B 29 0.322 5.670 6.138 1.00 6.30 H new ATOM 0 HD3 ARG B 29 -0.841 5.907 7.427 1.00 6.30 H new ATOM 0 HE ARG B 29 2.112 5.804 7.700 1.00 6.97 H new ATOM 0 HH11 ARG B 29 -1.034 5.858 9.295 1.00 7.29 H new ATOM 0 HH12 ARG B 29 -0.396 6.559 10.785 1.00 7.29 H new ATOM 0 HH21 ARG B 29 2.922 6.721 9.599 1.00 8.07 H new ATOM 0 HH22 ARG B 29 1.840 7.046 10.958 1.00 8.07 H new ATOM 1597 N PHE B 30 -1.372 1.232 4.007 1.00 3.54 N ATOM 1598 CA PHE B 30 -2.063 0.203 3.253 1.00 3.01 C ATOM 1599 C PHE B 30 -2.361 -1.003 4.140 1.00 3.62 C ATOM 1600 O PHE B 30 -1.490 -1.490 4.857 1.00 4.16 O ATOM 1601 CB PHE B 30 -1.206 -0.223 2.057 1.00 2.37 C ATOM 1602 CG PHE B 30 -1.995 -0.567 0.823 1.00 1.77 C ATOM 1603 CD1 PHE B 30 -3.056 -1.458 0.879 1.00 2.01 C ATOM 1604 CD2 PHE B 30 -1.664 0.000 -0.395 1.00 1.94 C ATOM 1605 CE1 PHE B 30 -3.771 -1.773 -0.259 1.00 1.96 C ATOM 1606 CE2 PHE B 30 -2.375 -0.313 -1.537 1.00 1.84 C ATOM 1607 CZ PHE B 30 -3.429 -1.199 -1.470 1.00 1.59 C ATOM 0 H PHE B 30 -0.479 0.938 4.403 1.00 3.54 H new ATOM 0 HA PHE B 30 -3.009 0.607 2.893 1.00 3.01 H new ATOM 0 HB2 PHE B 30 -0.511 0.582 1.817 1.00 2.37 H new ATOM 0 HB3 PHE B 30 -0.606 -1.087 2.344 1.00 2.37 H new ATOM 0 HD1 PHE B 30 -3.326 -1.910 1.822 1.00 2.01 H new ATOM 0 HD2 PHE B 30 -0.840 0.696 -0.453 1.00 1.94 H new ATOM 0 HE1 PHE B 30 -4.597 -2.467 -0.204 1.00 1.96 H new ATOM 0 HE2 PHE B 30 -2.105 0.136 -2.482 1.00 1.84 H new ATOM 0 HZ PHE B 30 -3.987 -1.445 -2.362 1.00 1.59 H new ATOM 1617 N GLN B 31 -3.594 -1.468 4.094 1.00 3.62 N ATOM 1618 CA GLN B 31 -4.000 -2.653 4.830 1.00 4.28 C ATOM 1619 C GLN B 31 -4.626 -3.656 3.870 1.00 4.09 C ATOM 1620 O GLN B 31 -5.676 -3.387 3.286 1.00 3.68 O ATOM 1621 CB GLN B 31 -5.003 -2.278 5.925 1.00 4.83 C ATOM 1622 CG GLN B 31 -5.505 -3.458 6.744 1.00 5.54 C ATOM 1623 CD GLN B 31 -4.441 -4.042 7.649 1.00 6.28 C ATOM 1624 OE1 GLN B 31 -3.707 -4.947 7.265 1.00 6.66 O ATOM 1625 NE2 GLN B 31 -4.356 -3.523 8.863 1.00 6.72 N ATOM 0 H GLN B 31 -4.341 -1.038 3.548 1.00 3.62 H new ATOM 0 HA GLN B 31 -3.124 -3.101 5.300 1.00 4.28 H new ATOM 0 HB2 GLN B 31 -4.537 -1.556 6.596 1.00 4.83 H new ATOM 0 HB3 GLN B 31 -5.857 -1.781 5.465 1.00 4.83 H new ATOM 0 HG2 GLN B 31 -6.354 -3.139 7.349 1.00 5.54 H new ATOM 0 HG3 GLN B 31 -5.867 -4.234 6.070 1.00 5.54 H new ATOM 0 HE21 GLN B 31 -4.986 -2.771 9.141 1.00 6.72 H new ATOM 0 HE22 GLN B 31 -3.660 -3.875 9.520 1.00 6.72 H new ATOM 1634 N ALA B 32 -3.977 -4.795 3.693 1.00 4.50 N ATOM 1635 CA ALA B 32 -4.472 -5.807 2.774 1.00 4.62 C ATOM 1636 C ALA B 32 -4.041 -7.201 3.212 1.00 5.46 C ATOM 1637 O ALA B 32 -2.850 -7.472 3.361 1.00 5.75 O ATOM 1638 CB ALA B 32 -3.988 -5.522 1.359 1.00 4.15 C ATOM 0 H ALA B 32 -3.110 -5.042 4.171 1.00 4.50 H new ATOM 0 HA ALA B 32 -5.561 -5.770 2.785 1.00 4.62 H new ATOM 0 HB1 ALA B 32 -4.367 -6.289 0.683 1.00 4.15 H new ATOM 0 HB2 ALA B 32 -4.351 -4.545 1.040 1.00 4.15 H new ATOM 0 HB3 ALA B 32 -2.898 -5.528 1.339 1.00 4.15 H new ATOM 1644 N PRO B 33 -5.010 -8.100 3.438 1.00 5.89 N ATOM 1645 CA PRO B 33 -4.735 -9.491 3.813 1.00 6.71 C ATOM 1646 C PRO B 33 -3.921 -10.225 2.749 1.00 6.87 C ATOM 1647 O PRO B 33 -3.977 -9.886 1.562 1.00 6.45 O ATOM 1648 CB PRO B 33 -6.127 -10.116 3.948 1.00 6.98 C ATOM 1649 CG PRO B 33 -7.046 -8.963 4.148 1.00 6.45 C ATOM 1650 CD PRO B 33 -6.454 -7.831 3.360 1.00 5.63 C ATOM 0 HA PRO B 33 -4.141 -9.554 4.725 1.00 6.71 H new ATOM 0 HB2 PRO B 33 -6.393 -10.684 3.056 1.00 6.98 H new ATOM 0 HB3 PRO B 33 -6.170 -10.807 4.790 1.00 6.98 H new ATOM 0 HG2 PRO B 33 -8.052 -9.199 3.800 1.00 6.45 H new ATOM 0 HG3 PRO B 33 -7.127 -8.705 5.204 1.00 6.45 H new ATOM 0 HD2 PRO B 33 -6.809 -7.826 2.330 1.00 5.63 H new ATOM 0 HD3 PRO B 33 -6.709 -6.862 3.790 1.00 5.63 H new ATOM 1658 N PRO B 34 -3.149 -11.244 3.158 1.00 7.55 N ATOM 1659 CA PRO B 34 -2.311 -12.012 2.240 1.00 7.81 C ATOM 1660 C PRO B 34 -3.119 -12.658 1.116 1.00 8.02 C ATOM 1661 O PRO B 34 -4.077 -13.390 1.364 1.00 8.45 O ATOM 1662 CB PRO B 34 -1.673 -13.086 3.130 1.00 8.57 C ATOM 1663 CG PRO B 34 -2.499 -13.115 4.371 1.00 8.85 C ATOM 1664 CD PRO B 34 -3.037 -11.725 4.543 1.00 8.16 C ATOM 0 HA PRO B 34 -1.581 -11.377 1.738 1.00 7.81 H new ATOM 0 HB2 PRO B 34 -1.673 -14.057 2.635 1.00 8.57 H new ATOM 0 HB3 PRO B 34 -0.634 -12.843 3.355 1.00 8.57 H new ATOM 0 HG2 PRO B 34 -3.309 -13.839 4.283 1.00 8.85 H new ATOM 0 HG3 PRO B 34 -1.899 -13.410 5.232 1.00 8.85 H new ATOM 0 HD2 PRO B 34 -4.002 -11.725 5.050 1.00 8.16 H new ATOM 0 HD3 PRO B 34 -2.366 -11.102 5.134 1.00 8.16 H new ATOM 1672 N GLY B 35 -2.735 -12.359 -0.120 1.00 7.75 N ATOM 1673 CA GLY B 35 -3.367 -12.987 -1.264 1.00 8.09 C ATOM 1674 C GLY B 35 -4.191 -12.020 -2.087 1.00 7.59 C ATOM 1675 O GLY B 35 -4.325 -12.188 -3.295 1.00 7.78 O ATOM 0 H GLY B 35 -1.997 -11.693 -0.350 1.00 7.75 H new ATOM 0 HA2 GLY B 35 -2.600 -13.433 -1.897 1.00 8.09 H new ATOM 0 HA3 GLY B 35 -4.007 -13.799 -0.919 1.00 8.09 H new ATOM 1679 N VAL B 36 -4.728 -10.990 -1.446 1.00 7.00 N ATOM 1680 CA VAL B 36 -5.606 -10.054 -2.139 1.00 6.54 C ATOM 1681 C VAL B 36 -4.814 -8.913 -2.766 1.00 5.96 C ATOM 1682 O VAL B 36 -5.317 -8.206 -3.631 1.00 5.81 O ATOM 1683 CB VAL B 36 -6.688 -9.467 -1.199 1.00 6.15 C ATOM 1684 CG1 VAL B 36 -7.401 -10.580 -0.450 1.00 6.78 C ATOM 1685 CG2 VAL B 36 -6.094 -8.455 -0.228 1.00 5.59 C ATOM 0 H VAL B 36 -4.574 -10.782 -0.459 1.00 7.00 H new ATOM 0 HA VAL B 36 -6.102 -10.624 -2.925 1.00 6.54 H new ATOM 0 HB VAL B 36 -7.417 -8.941 -1.815 1.00 6.15 H new ATOM 0 HG11 VAL B 36 -8.158 -10.150 0.206 1.00 6.78 H new ATOM 0 HG12 VAL B 36 -7.878 -11.251 -1.164 1.00 6.78 H new ATOM 0 HG13 VAL B 36 -6.679 -11.138 0.146 1.00 6.78 H new ATOM 0 HG21 VAL B 36 -6.881 -8.063 0.416 1.00 5.59 H new ATOM 0 HG22 VAL B 36 -5.333 -8.940 0.383 1.00 5.59 H new ATOM 0 HG23 VAL B 36 -5.642 -7.636 -0.787 1.00 5.59 H new ATOM 1695 N MET B 37 -3.561 -8.762 -2.360 1.00 5.73 N ATOM 1696 CA MET B 37 -2.741 -7.633 -2.798 1.00 5.13 C ATOM 1697 C MET B 37 -2.127 -7.895 -4.177 1.00 5.49 C ATOM 1698 O MET B 37 -1.159 -7.246 -4.571 1.00 5.20 O ATOM 1699 CB MET B 37 -1.641 -7.346 -1.768 1.00 4.75 C ATOM 1700 CG MET B 37 -0.933 -6.004 -1.952 1.00 4.01 C ATOM 1701 SD MET B 37 -1.887 -4.587 -1.346 1.00 3.52 S ATOM 1702 CE MET B 37 -3.252 -4.531 -2.500 1.00 3.19 C ATOM 0 H MET B 37 -3.087 -9.406 -1.727 1.00 5.73 H new ATOM 0 HA MET B 37 -3.386 -6.758 -2.880 1.00 5.13 H new ATOM 0 HB2 MET B 37 -2.078 -7.378 -0.770 1.00 4.75 H new ATOM 0 HB3 MET B 37 -0.899 -8.143 -1.816 1.00 4.75 H new ATOM 0 HG2 MET B 37 0.025 -6.035 -1.433 1.00 4.01 H new ATOM 0 HG3 MET B 37 -0.717 -5.859 -3.011 1.00 4.01 H new ATOM 0 HE1 MET B 37 -3.465 -3.495 -2.762 1.00 3.19 H new ATOM 0 HE2 MET B 37 -2.990 -5.087 -3.400 1.00 3.19 H new ATOM 0 HE3 MET B 37 -4.134 -4.978 -2.042 1.00 3.19 H new ATOM 1712 N THR B 38 -2.697 -8.851 -4.902 1.00 6.18 N ATOM 1713 CA THR B 38 -2.263 -9.155 -6.258 1.00 6.68 C ATOM 1714 C THR B 38 -2.230 -7.893 -7.122 1.00 6.35 C ATOM 1715 O THR B 38 -3.088 -7.018 -6.982 1.00 5.90 O ATOM 1716 CB THR B 38 -3.199 -10.188 -6.906 1.00 7.43 C ATOM 1717 OG1 THR B 38 -4.565 -9.804 -6.690 1.00 7.27 O ATOM 1718 CG2 THR B 38 -2.957 -11.576 -6.334 1.00 7.96 C ATOM 0 H THR B 38 -3.466 -9.432 -4.569 1.00 6.18 H new ATOM 0 HA THR B 38 -1.256 -9.567 -6.196 1.00 6.68 H new ATOM 0 HB THR B 38 -2.992 -10.218 -7.976 1.00 7.43 H new ATOM 0 HG1 THR B 38 -5.160 -10.463 -7.105 1.00 7.27 H new ATOM 0 HG21 THR B 38 -3.632 -12.288 -6.809 1.00 7.96 H new ATOM 0 HG22 THR B 38 -1.925 -11.872 -6.523 1.00 7.96 H new ATOM 0 HG23 THR B 38 -3.140 -11.564 -5.260 1.00 7.96 H new ATOM 1726 N PRO B 39 -1.235 -7.788 -8.020 1.00 6.65 N ATOM 1727 CA PRO B 39 -1.046 -6.610 -8.881 1.00 6.53 C ATOM 1728 C PRO B 39 -2.324 -6.173 -9.597 1.00 6.66 C ATOM 1729 O PRO B 39 -2.577 -4.976 -9.754 1.00 6.35 O ATOM 1730 CB PRO B 39 0.002 -7.079 -9.890 1.00 7.19 C ATOM 1731 CG PRO B 39 0.780 -8.121 -9.163 1.00 7.30 C ATOM 1732 CD PRO B 39 -0.202 -8.812 -8.261 1.00 7.21 C ATOM 0 HA PRO B 39 -0.749 -5.735 -8.303 1.00 6.53 H new ATOM 0 HB2 PRO B 39 -0.465 -7.486 -10.787 1.00 7.19 H new ATOM 0 HB3 PRO B 39 0.642 -6.256 -10.209 1.00 7.19 H new ATOM 0 HG2 PRO B 39 1.234 -8.826 -9.859 1.00 7.30 H new ATOM 0 HG3 PRO B 39 1.591 -7.673 -8.588 1.00 7.30 H new ATOM 0 HD2 PRO B 39 -0.622 -9.701 -8.732 1.00 7.21 H new ATOM 0 HD3 PRO B 39 0.267 -9.135 -7.331 1.00 7.21 H new ATOM 1740 N GLU B 40 -3.134 -7.137 -10.016 1.00 7.16 N ATOM 1741 CA GLU B 40 -4.385 -6.826 -10.695 1.00 7.32 C ATOM 1742 C GLU B 40 -5.317 -6.024 -9.791 1.00 6.59 C ATOM 1743 O GLU B 40 -5.988 -5.107 -10.253 1.00 6.46 O ATOM 1744 CB GLU B 40 -5.089 -8.094 -11.173 1.00 7.95 C ATOM 1745 CG GLU B 40 -6.439 -7.812 -11.812 1.00 8.17 C ATOM 1746 CD GLU B 40 -7.052 -9.025 -12.467 1.00 8.67 C ATOM 1747 OE1 GLU B 40 -7.262 -10.040 -11.777 1.00 9.22 O ATOM 1748 OE2 GLU B 40 -7.337 -8.963 -13.679 1.00 8.70 O ATOM 0 H GLU B 40 -2.949 -8.133 -9.899 1.00 7.16 H new ATOM 0 HA GLU B 40 -4.136 -6.220 -11.566 1.00 7.32 H new ATOM 0 HB2 GLU B 40 -4.452 -8.609 -11.892 1.00 7.95 H new ATOM 0 HB3 GLU B 40 -5.226 -8.769 -10.328 1.00 7.95 H new ATOM 0 HG2 GLU B 40 -7.122 -7.434 -11.051 1.00 8.17 H new ATOM 0 HG3 GLU B 40 -6.324 -7.024 -12.557 1.00 8.17 H new ATOM 1755 N LEU B 41 -5.343 -6.353 -8.501 1.00 6.17 N ATOM 1756 CA LEU B 41 -6.212 -5.649 -7.563 1.00 5.47 C ATOM 1757 C LEU B 41 -5.815 -4.185 -7.481 1.00 4.86 C ATOM 1758 O LEU B 41 -6.668 -3.303 -7.422 1.00 4.46 O ATOM 1759 CB LEU B 41 -6.149 -6.260 -6.164 1.00 5.29 C ATOM 1760 CG LEU B 41 -7.163 -5.671 -5.181 1.00 4.67 C ATOM 1761 CD1 LEU B 41 -8.391 -6.558 -5.085 1.00 5.06 C ATOM 1762 CD2 LEU B 41 -6.534 -5.450 -3.818 1.00 4.24 C ATOM 0 H LEU B 41 -4.779 -7.094 -8.086 1.00 6.17 H new ATOM 0 HA LEU B 41 -7.232 -5.742 -7.935 1.00 5.47 H new ATOM 0 HB2 LEU B 41 -6.315 -7.335 -6.240 1.00 5.29 H new ATOM 0 HB3 LEU B 41 -5.145 -6.120 -5.762 1.00 5.29 H new ATOM 0 HG LEU B 41 -7.480 -4.698 -5.558 1.00 4.67 H new ATOM 0 HD11 LEU B 41 -9.100 -6.122 -4.381 1.00 5.06 H new ATOM 0 HD12 LEU B 41 -8.858 -6.641 -6.066 1.00 5.06 H new ATOM 0 HD13 LEU B 41 -8.098 -7.549 -4.738 1.00 5.06 H new ATOM 0 HD21 LEU B 41 -7.276 -5.031 -3.138 1.00 4.24 H new ATOM 0 HD22 LEU B 41 -6.177 -6.401 -3.423 1.00 4.24 H new ATOM 0 HD23 LEU B 41 -5.696 -4.759 -3.912 1.00 4.24 H new ATOM 1774 N GLN B 42 -4.510 -3.935 -7.478 1.00 4.84 N ATOM 1775 CA GLN B 42 -3.989 -2.577 -7.475 1.00 4.35 C ATOM 1776 C GLN B 42 -4.478 -1.832 -8.712 1.00 4.69 C ATOM 1777 O GLN B 42 -4.847 -0.659 -8.645 1.00 4.37 O ATOM 1778 CB GLN B 42 -2.455 -2.598 -7.431 1.00 4.43 C ATOM 1779 CG GLN B 42 -1.810 -1.219 -7.442 1.00 4.02 C ATOM 1780 CD GLN B 42 -1.872 -0.501 -6.101 1.00 3.27 C ATOM 1781 OE1 GLN B 42 -2.901 -0.768 -5.309 1.00 3.29 O flip ATOM 1782 NE2 GLN B 42 -0.993 0.296 -5.781 1.00 3.09 N flip ATOM 0 H GLN B 42 -3.793 -4.660 -7.478 1.00 4.84 H new ATOM 0 HA GLN B 42 -4.352 -2.058 -6.588 1.00 4.35 H new ATOM 0 HB2 GLN B 42 -2.136 -3.129 -6.534 1.00 4.43 H new ATOM 0 HB3 GLN B 42 -2.086 -3.166 -8.285 1.00 4.43 H new ATOM 0 HG2 GLN B 42 -0.767 -1.318 -7.742 1.00 4.02 H new ATOM 0 HG3 GLN B 42 -2.302 -0.604 -8.196 1.00 4.02 H new ATOM 0 HE21 GLN B 42 -0.215 0.478 -6.415 1.00 3.09 H new ATOM 0 HE22 GLN B 42 -1.042 0.775 -4.882 1.00 3.09 H new ATOM 1791 N SER B 43 -4.503 -2.541 -9.833 1.00 5.44 N ATOM 1792 CA SER B 43 -4.984 -1.991 -11.089 1.00 5.93 C ATOM 1793 C SER B 43 -6.494 -1.739 -11.027 1.00 5.79 C ATOM 1794 O SER B 43 -7.001 -0.802 -11.641 1.00 5.94 O ATOM 1795 CB SER B 43 -4.644 -2.954 -12.228 1.00 6.77 C ATOM 1796 OG SER B 43 -4.968 -2.401 -13.491 1.00 7.35 O ATOM 0 H SER B 43 -4.191 -3.510 -9.895 1.00 5.44 H new ATOM 0 HA SER B 43 -4.494 -1.035 -11.271 1.00 5.93 H new ATOM 0 HB2 SER B 43 -3.581 -3.195 -12.197 1.00 6.77 H new ATOM 0 HB3 SER B 43 -5.187 -3.889 -12.089 1.00 6.77 H new ATOM 0 HG SER B 43 -4.737 -3.040 -14.197 1.00 7.35 H new ATOM 1802 N ARG B 44 -7.203 -2.577 -10.274 1.00 5.57 N ATOM 1803 CA ARG B 44 -8.645 -2.418 -10.095 1.00 5.41 C ATOM 1804 C ARG B 44 -8.933 -1.210 -9.210 1.00 4.69 C ATOM 1805 O ARG B 44 -9.850 -0.436 -9.482 1.00 4.71 O ATOM 1806 CB ARG B 44 -9.261 -3.681 -9.476 1.00 5.44 C ATOM 1807 CG ARG B 44 -9.016 -4.944 -10.287 1.00 6.25 C ATOM 1808 CD ARG B 44 -9.590 -4.829 -11.688 1.00 6.38 C ATOM 1809 NE ARG B 44 -9.153 -5.927 -12.553 1.00 7.03 N ATOM 1810 CZ ARG B 44 -9.726 -6.228 -13.717 1.00 7.53 C ATOM 1811 NH1 ARG B 44 -10.835 -5.603 -14.093 1.00 7.50 N ATOM 1812 NH2 ARG B 44 -9.213 -7.183 -14.479 1.00 8.28 N ATOM 0 H ARG B 44 -6.803 -3.373 -9.778 1.00 5.57 H new ATOM 0 HA ARG B 44 -9.096 -2.260 -11.075 1.00 5.41 H new ATOM 0 HB2 ARG B 44 -8.854 -3.819 -8.474 1.00 5.44 H new ATOM 0 HB3 ARG B 44 -10.335 -3.534 -9.366 1.00 5.44 H new ATOM 0 HG2 ARG B 44 -7.945 -5.137 -10.347 1.00 6.25 H new ATOM 0 HG3 ARG B 44 -9.465 -5.797 -9.778 1.00 6.25 H new ATOM 0 HD2 ARG B 44 -10.679 -4.822 -11.634 1.00 6.38 H new ATOM 0 HD3 ARG B 44 -9.286 -3.879 -12.127 1.00 6.38 H new ATOM 0 HE ARG B 44 -8.363 -6.495 -12.246 1.00 7.03 H new ATOM 0 HH11 ARG B 44 -11.249 -4.892 -13.490 1.00 7.50 H new ATOM 0 HH12 ARG B 44 -11.273 -5.834 -14.985 1.00 7.50 H new ATOM 0 HH21 ARG B 44 -8.380 -7.687 -14.174 1.00 8.28 H new ATOM 0 HH22 ARG B 44 -9.651 -7.414 -15.371 1.00 8.28 H new ATOM 1826 N LEU B 45 -8.134 -1.060 -8.152 1.00 4.13 N ATOM 1827 CA LEU B 45 -8.232 0.096 -7.266 1.00 3.49 C ATOM 1828 C LEU B 45 -7.952 1.373 -8.051 1.00 3.91 C ATOM 1829 O LEU B 45 -8.575 2.408 -7.825 1.00 3.85 O ATOM 1830 CB LEU B 45 -7.236 -0.033 -6.106 1.00 2.89 C ATOM 1831 CG LEU B 45 -7.409 -1.274 -5.223 1.00 2.68 C ATOM 1832 CD1 LEU B 45 -6.265 -1.382 -4.227 1.00 2.32 C ATOM 1833 CD2 LEU B 45 -8.746 -1.238 -4.494 1.00 2.32 C ATOM 0 H LEU B 45 -7.410 -1.729 -7.889 1.00 4.13 H new ATOM 0 HA LEU B 45 -9.241 0.139 -6.856 1.00 3.49 H new ATOM 0 HB2 LEU B 45 -6.226 -0.038 -6.516 1.00 2.89 H new ATOM 0 HB3 LEU B 45 -7.320 0.853 -5.477 1.00 2.89 H new ATOM 0 HG LEU B 45 -7.395 -2.154 -5.866 1.00 2.68 H new ATOM 0 HD11 LEU B 45 -6.404 -2.269 -3.608 1.00 2.32 H new ATOM 0 HD12 LEU B 45 -5.320 -1.459 -4.765 1.00 2.32 H new ATOM 0 HD13 LEU B 45 -6.250 -0.496 -3.593 1.00 2.32 H new ATOM 0 HD21 LEU B 45 -8.846 -2.129 -3.874 1.00 2.32 H new ATOM 0 HD22 LEU B 45 -8.793 -0.350 -3.864 1.00 2.32 H new ATOM 0 HD23 LEU B 45 -9.557 -1.210 -5.222 1.00 2.32 H new ATOM 1845 N GLY B 46 -6.977 1.291 -8.948 1.00 4.49 N ATOM 1846 CA GLY B 46 -6.689 2.381 -9.860 1.00 5.11 C ATOM 1847 C GLY B 46 -5.769 3.421 -9.259 1.00 4.95 C ATOM 1848 O GLY B 46 -5.084 4.146 -9.982 1.00 5.58 O ATOM 0 H GLY B 46 -6.373 0.477 -9.060 1.00 4.49 H new ATOM 0 HA2 GLY B 46 -6.234 1.980 -10.766 1.00 5.11 H new ATOM 0 HA3 GLY B 46 -7.624 2.857 -10.156 1.00 5.11 H new ATOM 1852 N GLY B 47 -5.740 3.482 -7.932 1.00 4.20 N ATOM 1853 CA GLY B 47 -4.902 4.446 -7.245 1.00 4.08 C ATOM 1854 C GLY B 47 -5.397 5.871 -7.420 1.00 4.27 C ATOM 1855 O GLY B 47 -4.658 6.827 -7.184 1.00 4.50 O ATOM 0 H GLY B 47 -6.285 2.877 -7.318 1.00 4.20 H new ATOM 0 HA2 GLY B 47 -4.869 4.203 -6.183 1.00 4.08 H new ATOM 0 HA3 GLY B 47 -3.882 4.370 -7.621 1.00 4.08 H new ATOM 1859 N ALA B 48 -6.647 6.014 -7.841 1.00 4.37 N ATOM 1860 CA ALA B 48 -7.236 7.330 -8.038 1.00 4.85 C ATOM 1861 C ALA B 48 -7.596 7.947 -6.694 1.00 4.49 C ATOM 1862 O ALA B 48 -7.917 7.231 -5.743 1.00 3.88 O ATOM 1863 CB ALA B 48 -8.463 7.234 -8.934 1.00 5.41 C ATOM 0 H ALA B 48 -7.271 5.235 -8.052 1.00 4.37 H new ATOM 0 HA ALA B 48 -6.506 7.973 -8.530 1.00 4.85 H new ATOM 0 HB1 ALA B 48 -8.892 8.227 -9.071 1.00 5.41 H new ATOM 0 HB2 ALA B 48 -8.175 6.826 -9.903 1.00 5.41 H new ATOM 0 HB3 ALA B 48 -9.202 6.581 -8.470 1.00 5.41 H new ATOM 1869 N ARG B 49 -7.560 9.271 -6.620 1.00 5.02 N ATOM 1870 CA ARG B 49 -7.791 9.963 -5.361 1.00 4.98 C ATOM 1871 C ARG B 49 -9.225 9.748 -4.871 1.00 5.00 C ATOM 1872 O ARG B 49 -9.441 9.358 -3.729 1.00 4.59 O ATOM 1873 CB ARG B 49 -7.465 11.460 -5.492 1.00 5.73 C ATOM 1874 CG ARG B 49 -8.316 12.200 -6.508 1.00 6.40 C ATOM 1875 CD ARG B 49 -7.880 13.645 -6.675 1.00 6.81 C ATOM 1876 NE ARG B 49 -6.622 13.762 -7.407 1.00 7.23 N ATOM 1877 CZ ARG B 49 -6.496 14.403 -8.569 1.00 7.61 C ATOM 1878 NH1 ARG B 49 -7.559 14.951 -9.150 1.00 7.61 N ATOM 1879 NH2 ARG B 49 -5.307 14.485 -9.147 1.00 8.22 N ATOM 0 H ARG B 49 -7.374 9.884 -7.414 1.00 5.02 H new ATOM 0 HA ARG B 49 -7.120 9.539 -4.614 1.00 4.98 H new ATOM 0 HB2 ARG B 49 -7.590 11.933 -4.518 1.00 5.73 H new ATOM 0 HB3 ARG B 49 -6.416 11.568 -5.767 1.00 5.73 H new ATOM 0 HG2 ARG B 49 -8.256 11.690 -7.470 1.00 6.40 H new ATOM 0 HG3 ARG B 49 -9.360 12.171 -6.196 1.00 6.40 H new ATOM 0 HD2 ARG B 49 -8.657 14.198 -7.202 1.00 6.81 H new ATOM 0 HD3 ARG B 49 -7.771 14.105 -5.693 1.00 6.81 H new ATOM 0 HE ARG B 49 -5.791 13.328 -7.006 1.00 7.23 H new ATOM 0 HH11 ARG B 49 -8.475 14.882 -8.707 1.00 7.61 H new ATOM 0 HH12 ARG B 49 -7.459 15.441 -10.039 1.00 7.61 H new ATOM 0 HH21 ARG B 49 -4.494 14.059 -8.703 1.00 8.22 H new ATOM 0 HH22 ARG B 49 -5.205 14.974 -10.036 1.00 8.22 H new ATOM 1893 N HIS B 50 -10.198 9.954 -5.754 1.00 5.53 N ATOM 1894 CA HIS B 50 -11.607 9.806 -5.387 1.00 5.65 C ATOM 1895 C HIS B 50 -11.959 8.357 -5.062 1.00 4.90 C ATOM 1896 O HIS B 50 -12.804 8.096 -4.207 1.00 4.73 O ATOM 1897 CB HIS B 50 -12.532 10.352 -6.487 1.00 6.40 C ATOM 1898 CG HIS B 50 -12.170 9.941 -7.880 1.00 6.57 C ATOM 1899 ND1 HIS B 50 -12.570 8.756 -8.455 1.00 6.34 N ATOM 1900 CD2 HIS B 50 -11.438 10.580 -8.818 1.00 7.07 C ATOM 1901 CE1 HIS B 50 -12.097 8.685 -9.684 1.00 6.75 C ATOM 1902 NE2 HIS B 50 -11.408 9.780 -9.928 1.00 7.16 N ATOM 0 H HIS B 50 -10.040 10.223 -6.725 1.00 5.53 H new ATOM 0 HA HIS B 50 -11.763 10.397 -4.484 1.00 5.65 H new ATOM 0 HB2 HIS B 50 -13.551 10.023 -6.280 1.00 6.40 H new ATOM 0 HB3 HIS B 50 -12.531 11.441 -6.434 1.00 6.40 H new ATOM 0 HD1 HIS B 50 -13.143 8.044 -8.001 1.00 6.34 H new ATOM 0 HD2 HIS B 50 -10.964 11.544 -8.712 1.00 7.07 H new ATOM 0 HE1 HIS B 50 -12.249 7.868 -10.373 1.00 6.75 H new ATOM 1911 N GLU B 51 -11.293 7.418 -5.726 1.00 4.52 N ATOM 1912 CA GLU B 51 -11.536 6.001 -5.485 1.00 3.87 C ATOM 1913 C GLU B 51 -11.129 5.623 -4.068 1.00 3.13 C ATOM 1914 O GLU B 51 -11.859 4.929 -3.364 1.00 2.72 O ATOM 1915 CB GLU B 51 -10.770 5.138 -6.491 1.00 3.90 C ATOM 1916 CG GLU B 51 -11.658 4.483 -7.536 1.00 4.40 C ATOM 1917 CD GLU B 51 -12.329 5.487 -8.446 1.00 5.21 C ATOM 1918 OE1 GLU B 51 -13.382 6.044 -8.061 1.00 5.72 O ATOM 1919 OE2 GLU B 51 -11.807 5.734 -9.548 1.00 5.60 O ATOM 0 H GLU B 51 -10.583 7.612 -6.433 1.00 4.52 H new ATOM 0 HA GLU B 51 -12.603 5.818 -5.609 1.00 3.87 H new ATOM 0 HB2 GLU B 51 -10.027 5.756 -6.995 1.00 3.90 H new ATOM 0 HB3 GLU B 51 -10.227 4.362 -5.951 1.00 3.90 H new ATOM 0 HG2 GLU B 51 -11.060 3.798 -8.137 1.00 4.40 H new ATOM 0 HG3 GLU B 51 -12.421 3.886 -7.036 1.00 4.40 H new ATOM 1926 N LEU B 52 -9.970 6.107 -3.647 1.00 3.04 N ATOM 1927 CA LEU B 52 -9.436 5.763 -2.340 1.00 2.56 C ATOM 1928 C LEU B 52 -10.159 6.512 -1.226 1.00 3.06 C ATOM 1929 O LEU B 52 -10.200 6.052 -0.087 1.00 2.94 O ATOM 1930 CB LEU B 52 -7.934 6.032 -2.296 1.00 2.52 C ATOM 1931 CG LEU B 52 -7.113 5.233 -3.309 1.00 2.10 C ATOM 1932 CD1 LEU B 52 -5.642 5.564 -3.175 1.00 2.00 C ATOM 1933 CD2 LEU B 52 -7.342 3.739 -3.130 1.00 1.52 C ATOM 0 H LEU B 52 -9.383 6.738 -4.192 1.00 3.04 H new ATOM 0 HA LEU B 52 -9.603 4.699 -2.175 1.00 2.56 H new ATOM 0 HB2 LEU B 52 -7.764 7.095 -2.468 1.00 2.52 H new ATOM 0 HB3 LEU B 52 -7.568 5.808 -1.294 1.00 2.52 H new ATOM 0 HG LEU B 52 -7.441 5.510 -4.311 1.00 2.10 H new ATOM 0 HD11 LEU B 52 -5.071 4.987 -3.903 1.00 2.00 H new ATOM 0 HD12 LEU B 52 -5.491 6.628 -3.356 1.00 2.00 H new ATOM 0 HD13 LEU B 52 -5.303 5.315 -2.169 1.00 2.00 H new ATOM 0 HD21 LEU B 52 -6.748 3.190 -3.861 1.00 1.52 H new ATOM 0 HD22 LEU B 52 -7.044 3.443 -2.124 1.00 1.52 H new ATOM 0 HD23 LEU B 52 -8.398 3.513 -3.277 1.00 1.52 H new ATOM 1945 N ILE B 53 -10.737 7.662 -1.555 1.00 3.78 N ATOM 1946 CA ILE B 53 -11.571 8.386 -0.603 1.00 4.35 C ATOM 1947 C ILE B 53 -12.796 7.545 -0.249 1.00 4.05 C ATOM 1948 O ILE B 53 -13.123 7.367 0.924 1.00 4.19 O ATOM 1949 CB ILE B 53 -12.017 9.761 -1.154 1.00 5.19 C ATOM 1950 CG1 ILE B 53 -10.804 10.683 -1.333 1.00 5.56 C ATOM 1951 CG2 ILE B 53 -13.044 10.403 -0.229 1.00 5.75 C ATOM 1952 CD1 ILE B 53 -11.142 12.022 -1.956 1.00 6.40 C ATOM 0 H ILE B 53 -10.645 8.110 -2.467 1.00 3.78 H new ATOM 0 HA ILE B 53 -10.975 8.568 0.291 1.00 4.35 H new ATOM 0 HB ILE B 53 -12.483 9.608 -2.127 1.00 5.19 H new ATOM 0 HG12 ILE B 53 -10.341 10.851 -0.361 1.00 5.56 H new ATOM 0 HG13 ILE B 53 -10.065 10.179 -1.956 1.00 5.56 H new ATOM 0 HG21 ILE B 53 -13.345 11.369 -0.634 1.00 5.75 H new ATOM 0 HG22 ILE B 53 -13.917 9.755 -0.149 1.00 5.75 H new ATOM 0 HG23 ILE B 53 -12.606 10.544 0.759 1.00 5.75 H new ATOM 0 HD11 ILE B 53 -10.235 12.619 -2.051 1.00 6.40 H new ATOM 0 HD12 ILE B 53 -11.577 11.865 -2.943 1.00 6.40 H new ATOM 0 HD13 ILE B 53 -11.857 12.547 -1.323 1.00 6.40 H new ATOM 1964 N ALA B 54 -13.449 7.004 -1.273 1.00 3.73 N ATOM 1965 CA ALA B 54 -14.596 6.127 -1.071 1.00 3.39 C ATOM 1966 C ALA B 54 -14.151 4.815 -0.429 1.00 2.66 C ATOM 1967 O ALA B 54 -14.879 4.221 0.367 1.00 2.59 O ATOM 1968 CB ALA B 54 -15.303 5.866 -2.394 1.00 3.40 C ATOM 0 H ALA B 54 -13.203 7.158 -2.251 1.00 3.73 H new ATOM 0 HA ALA B 54 -15.299 6.619 -0.399 1.00 3.39 H new ATOM 0 HB1 ALA B 54 -16.157 5.210 -2.227 1.00 3.40 H new ATOM 0 HB2 ALA B 54 -15.648 6.811 -2.815 1.00 3.40 H new ATOM 0 HB3 ALA B 54 -14.611 5.391 -3.089 1.00 3.40 H new ATOM 1974 N LEU B 55 -12.944 4.385 -0.773 1.00 2.23 N ATOM 1975 CA LEU B 55 -12.354 3.178 -0.201 1.00 1.71 C ATOM 1976 C LEU B 55 -12.174 3.355 1.311 1.00 2.33 C ATOM 1977 O LEU B 55 -12.490 2.465 2.096 1.00 2.46 O ATOM 1978 CB LEU B 55 -11.011 2.887 -0.893 1.00 1.30 C ATOM 1979 CG LEU B 55 -10.470 1.450 -0.788 1.00 1.02 C ATOM 1980 CD1 LEU B 55 -9.969 1.146 0.616 1.00 1.74 C ATOM 1981 CD2 LEU B 55 -11.532 0.445 -1.212 1.00 1.20 C ATOM 0 H LEU B 55 -12.348 4.858 -1.452 1.00 2.23 H new ATOM 0 HA LEU B 55 -13.016 2.328 -0.365 1.00 1.71 H new ATOM 0 HB2 LEU B 55 -11.113 3.134 -1.950 1.00 1.30 H new ATOM 0 HB3 LEU B 55 -10.263 3.562 -0.478 1.00 1.30 H new ATOM 0 HG LEU B 55 -9.622 1.363 -1.467 1.00 1.02 H new ATOM 0 HD11 LEU B 55 -9.594 0.123 0.655 1.00 1.74 H new ATOM 0 HD12 LEU B 55 -9.166 1.837 0.873 1.00 1.74 H new ATOM 0 HD13 LEU B 55 -10.787 1.260 1.327 1.00 1.74 H new ATOM 0 HD21 LEU B 55 -11.130 -0.565 -1.131 1.00 1.20 H new ATOM 0 HD22 LEU B 55 -12.404 0.542 -0.565 1.00 1.20 H new ATOM 0 HD23 LEU B 55 -11.824 0.638 -2.244 1.00 1.20 H new ATOM 1993 N LEU B 56 -11.670 4.515 1.706 1.00 2.95 N ATOM 1994 CA LEU B 56 -11.516 4.851 3.118 1.00 3.69 C ATOM 1995 C LEU B 56 -12.880 5.040 3.782 1.00 4.03 C ATOM 1996 O LEU B 56 -13.058 4.762 4.968 1.00 4.45 O ATOM 1997 CB LEU B 56 -10.669 6.122 3.251 1.00 4.26 C ATOM 1998 CG LEU B 56 -10.663 6.782 4.631 1.00 5.04 C ATOM 1999 CD1 LEU B 56 -10.090 5.846 5.683 1.00 5.31 C ATOM 2000 CD2 LEU B 56 -9.875 8.080 4.584 1.00 5.56 C ATOM 0 H LEU B 56 -11.358 5.245 1.066 1.00 2.95 H new ATOM 0 HA LEU B 56 -11.010 4.030 3.625 1.00 3.69 H new ATOM 0 HB2 LEU B 56 -9.641 5.880 2.982 1.00 4.26 H new ATOM 0 HB3 LEU B 56 -11.026 6.851 2.523 1.00 4.26 H new ATOM 0 HG LEU B 56 -11.693 7.005 4.909 1.00 5.04 H new ATOM 0 HD11 LEU B 56 -10.098 6.341 6.654 1.00 5.31 H new ATOM 0 HD12 LEU B 56 -10.695 4.941 5.733 1.00 5.31 H new ATOM 0 HD13 LEU B 56 -9.066 5.584 5.418 1.00 5.31 H new ATOM 0 HD21 LEU B 56 -9.876 8.542 5.571 1.00 5.56 H new ATOM 0 HD22 LEU B 56 -8.848 7.872 4.282 1.00 5.56 H new ATOM 0 HD23 LEU B 56 -10.334 8.758 3.865 1.00 5.56 H new ATOM 2012 N ARG B 57 -13.846 5.503 3.005 1.00 3.93 N ATOM 2013 CA ARG B 57 -15.190 5.739 3.510 1.00 4.27 C ATOM 2014 C ARG B 57 -15.866 4.423 3.899 1.00 3.92 C ATOM 2015 O ARG B 57 -16.690 4.391 4.814 1.00 4.30 O ATOM 2016 CB ARG B 57 -16.021 6.483 2.464 1.00 4.32 C ATOM 2017 CG ARG B 57 -17.411 6.861 2.938 1.00 4.80 C ATOM 2018 CD ARG B 57 -18.121 7.736 1.918 1.00 5.19 C ATOM 2019 NE ARG B 57 -17.457 9.031 1.744 1.00 5.85 N ATOM 2020 CZ ARG B 57 -17.763 9.907 0.782 1.00 6.39 C ATOM 2021 NH1 ARG B 57 -18.692 9.612 -0.126 1.00 6.40 N ATOM 2022 NH2 ARG B 57 -17.137 11.077 0.729 1.00 7.19 N ATOM 0 H ARG B 57 -13.724 5.724 2.017 1.00 3.93 H new ATOM 0 HA ARG B 57 -15.119 6.357 4.405 1.00 4.27 H new ATOM 0 HB2 ARG B 57 -15.490 7.388 2.169 1.00 4.32 H new ATOM 0 HB3 ARG B 57 -16.108 5.860 1.574 1.00 4.32 H new ATOM 0 HG2 ARG B 57 -17.995 5.958 3.116 1.00 4.80 H new ATOM 0 HG3 ARG B 57 -17.343 7.389 3.889 1.00 4.80 H new ATOM 0 HD2 ARG B 57 -18.159 7.217 0.960 1.00 5.19 H new ATOM 0 HD3 ARG B 57 -19.152 7.897 2.234 1.00 5.19 H new ATOM 0 HE ARG B 57 -16.715 9.279 2.398 1.00 5.85 H new ATOM 0 HH11 ARG B 57 -19.174 8.714 -0.089 1.00 6.40 H new ATOM 0 HH12 ARG B 57 -18.921 10.284 -0.858 1.00 6.40 H new ATOM 0 HH21 ARG B 57 -16.424 11.306 1.422 1.00 7.19 H new ATOM 0 HH22 ARG B 57 -17.369 11.747 -0.004 1.00 7.19 H new ATOM 2036 N GLN B 58 -15.497 3.339 3.222 1.00 3.27 N ATOM 2037 CA GLN B 58 -16.073 2.027 3.513 1.00 3.16 C ATOM 2038 C GLN B 58 -15.622 1.541 4.892 1.00 3.92 C ATOM 2039 O GLN B 58 -16.300 0.739 5.534 1.00 4.23 O ATOM 2040 CB GLN B 58 -15.665 0.999 2.445 1.00 2.58 C ATOM 2041 CG GLN B 58 -14.389 0.240 2.781 1.00 2.73 C ATOM 2042 CD GLN B 58 -13.924 -0.669 1.666 1.00 2.46 C ATOM 2043 OE1 GLN B 58 -14.718 -1.156 0.870 1.00 2.60 O ATOM 2044 NE2 GLN B 58 -12.627 -0.917 1.616 1.00 2.44 N ATOM 0 H GLN B 58 -14.806 3.341 2.472 1.00 3.27 H new ATOM 0 HA GLN B 58 -17.158 2.128 3.504 1.00 3.16 H new ATOM 0 HB2 GLN B 58 -16.478 0.285 2.312 1.00 2.58 H new ATOM 0 HB3 GLN B 58 -15.532 1.512 1.492 1.00 2.58 H new ATOM 0 HG2 GLN B 58 -13.599 0.955 3.011 1.00 2.73 H new ATOM 0 HG3 GLN B 58 -14.554 -0.354 3.680 1.00 2.73 H new ATOM 0 HE21 GLN B 58 -12.000 -0.491 2.298 1.00 2.44 H new ATOM 0 HE22 GLN B 58 -12.253 -1.534 0.895 1.00 2.44 H new ATOM 2053 N LEU B 59 -14.476 2.052 5.341 1.00 4.30 N ATOM 2054 CA LEU B 59 -13.886 1.641 6.611 1.00 5.09 C ATOM 2055 C LEU B 59 -14.647 2.252 7.771 1.00 5.75 C ATOM 2056 O LEU B 59 -14.527 1.811 8.912 1.00 6.46 O ATOM 2057 CB LEU B 59 -12.419 2.069 6.671 1.00 5.21 C ATOM 2058 CG LEU B 59 -11.563 1.619 5.490 1.00 4.98 C ATOM 2059 CD1 LEU B 59 -10.121 2.059 5.681 1.00 5.21 C ATOM 2060 CD2 LEU B 59 -11.647 0.112 5.320 1.00 5.36 C ATOM 0 H LEU B 59 -13.936 2.756 4.839 1.00 4.30 H new ATOM 0 HA LEU B 59 -13.946 0.555 6.685 1.00 5.09 H new ATOM 0 HB2 LEU B 59 -12.377 3.156 6.737 1.00 5.21 H new ATOM 0 HB3 LEU B 59 -11.980 1.677 7.588 1.00 5.21 H new ATOM 0 HG LEU B 59 -11.946 2.088 4.584 1.00 4.98 H new ATOM 0 HD11 LEU B 59 -9.524 1.730 4.830 1.00 5.21 H new ATOM 0 HD12 LEU B 59 -10.079 3.146 5.755 1.00 5.21 H new ATOM 0 HD13 LEU B 59 -9.724 1.617 6.595 1.00 5.21 H new ATOM 0 HD21 LEU B 59 -11.031 -0.194 4.474 1.00 5.36 H new ATOM 0 HD22 LEU B 59 -11.288 -0.377 6.226 1.00 5.36 H new ATOM 0 HD23 LEU B 59 -12.682 -0.177 5.138 1.00 5.36 H new