USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 646 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 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -157:sc= -0.129 (180deg=-0.529) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0498 USER MOD Single : A 31 GLN : amide:sc= -1.53 K(o=-1.5,f=0) USER MOD Single : A 37 SER OG : rot -37:sc= 0.0442 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.425 K(o=-0.43,f=-4.1!) USER MOD Single : A 55 THR OG1 : rot -38:sc= 0.955 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 3:sc= 0.917! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -51:sc= 0.518 USER MOD Single : A 70 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -14.3! C(o=-14!,f=-14!) USER MOD Single : A 79 THR OG1 : rot 106:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 99 N GLY A 10 13.999 -0.207 -0.230 1.00 0.00 N ATOM 100 CA GLY A 10 14.539 -0.167 1.116 1.00 0.00 C ATOM 101 C GLY A 10 14.081 1.055 1.888 1.00 0.00 C ATOM 102 O GLY A 10 13.444 0.935 2.935 1.00 0.00 O ATOM 0 HA2 GLY A 10 14.237 -1.066 1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.628 -0.176 1.068 1.00 0.00 H new ATOM 106 N LEU A 11 14.407 2.235 1.372 1.00 0.00 N ATOM 107 CA LEU A 11 14.027 3.485 2.020 1.00 0.00 C ATOM 108 C LEU A 11 12.540 3.491 2.361 1.00 0.00 C ATOM 109 O LEU A 11 12.085 4.282 3.188 1.00 0.00 O ATOM 110 CB LEU A 11 14.359 4.674 1.116 1.00 0.00 C ATOM 111 CG LEU A 11 13.267 5.095 0.132 1.00 0.00 C ATOM 112 CD1 LEU A 11 12.771 3.896 -0.661 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.114 5.762 0.869 1.00 0.00 C ATOM 0 H LEU A 11 14.934 2.352 0.506 1.00 0.00 H new ATOM 0 HA LEU A 11 14.595 3.572 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.600 5.529 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.258 4.433 0.549 1.00 0.00 H new ATOM 0 HG LEU A 11 13.693 5.816 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.994 4.215 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.600 3.460 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.363 3.152 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.346 6.055 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.690 5.063 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.479 6.646 1.392 1.00 0.00 H new ATOM 125 N LEU A 12 11.788 2.603 1.720 1.00 0.00 N ATOM 126 CA LEU A 12 10.352 2.504 1.956 1.00 0.00 C ATOM 127 C LEU A 12 10.038 2.589 3.447 1.00 0.00 C ATOM 128 O LEU A 12 9.319 3.484 3.890 1.00 0.00 O ATOM 129 CB LEU A 12 9.810 1.193 1.383 1.00 0.00 C ATOM 130 CG LEU A 12 9.475 1.200 -0.108 1.00 0.00 C ATOM 131 CD1 LEU A 12 9.065 -0.189 -0.570 1.00 0.00 C ATOM 132 CD2 LEU A 12 8.374 2.209 -0.403 1.00 0.00 C ATOM 0 H LEU A 12 12.149 1.941 1.033 1.00 0.00 H new ATOM 0 HA LEU A 12 9.868 3.341 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.544 0.409 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.910 0.923 1.936 1.00 0.00 H new ATOM 0 HG LEU A 12 10.368 1.495 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.830 -0.164 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.884 -0.887 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.186 -0.513 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.149 2.200 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.478 1.945 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.706 3.205 -0.110 1.00 0.00 H new ATOM 144 N VAL A 13 10.585 1.653 4.216 1.00 0.00 N ATOM 145 CA VAL A 13 10.367 1.623 5.657 1.00 0.00 C ATOM 146 C VAL A 13 10.848 2.913 6.312 1.00 0.00 C ATOM 147 O VAL A 13 10.213 3.430 7.232 1.00 0.00 O ATOM 148 CB VAL A 13 11.087 0.429 6.309 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.490 -0.884 5.825 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.579 0.484 6.020 1.00 0.00 C ATOM 0 H VAL A 13 11.183 0.905 3.865 1.00 0.00 H new ATOM 0 HA VAL A 13 9.293 1.518 5.813 1.00 0.00 H new ATOM 0 HB VAL A 13 10.947 0.488 7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.012 -1.717 6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.433 -0.922 6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.597 -0.955 4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.072 -0.368 6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.742 0.450 4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.993 1.409 6.421 1.00 0.00 H new ATOM 160 N HIS A 14 11.975 3.429 5.832 1.00 0.00 N ATOM 161 CA HIS A 14 12.543 4.660 6.370 1.00 0.00 C ATOM 162 C HIS A 14 11.568 5.823 6.210 1.00 0.00 C ATOM 163 O HIS A 14 11.038 6.343 7.192 1.00 0.00 O ATOM 164 CB HIS A 14 13.863 4.986 5.672 1.00 0.00 C ATOM 165 CG HIS A 14 14.440 6.310 6.069 1.00 0.00 C ATOM 166 ND1 HIS A 14 14.889 7.240 5.155 1.00 0.00 N ATOM 167 CD2 HIS A 14 14.638 6.859 7.290 1.00 0.00 C ATOM 168 CE1 HIS A 14 15.339 8.303 5.796 1.00 0.00 C ATOM 169 NE2 HIS A 14 15.198 8.098 7.093 1.00 0.00 N ATOM 0 H HIS A 14 12.513 3.014 5.071 1.00 0.00 H new ATOM 0 HA HIS A 14 12.731 4.510 7.433 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.586 4.202 5.896 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.706 4.976 4.593 1.00 0.00 H new ATOM 0 HD2 HIS A 14 14.400 6.407 8.242 1.00 0.00 H new ATOM 0 HE1 HIS A 14 15.752 9.189 5.338 1.00 0.00 H new ATOM 0 HE2 HIS A 14 15.462 8.753 7.829 1.00 0.00 H new ATOM 178 N LYS A 15 11.337 6.227 4.965 1.00 0.00 N ATOM 179 CA LYS A 15 10.426 7.328 4.675 1.00 0.00 C ATOM 180 C LYS A 15 8.990 6.954 5.029 1.00 0.00 C ATOM 181 O LYS A 15 8.435 6.000 4.485 1.00 0.00 O ATOM 182 CB LYS A 15 10.514 7.713 3.196 1.00 0.00 C ATOM 183 CG LYS A 15 9.426 8.676 2.753 1.00 0.00 C ATOM 184 CD LYS A 15 9.205 8.615 1.251 1.00 0.00 C ATOM 185 CE LYS A 15 8.342 9.769 0.767 1.00 0.00 C ATOM 186 NZ LYS A 15 8.455 9.967 -0.705 1.00 0.00 N ATOM 0 H LYS A 15 11.768 5.808 4.141 1.00 0.00 H new ATOM 0 HA LYS A 15 10.721 8.182 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.487 8.164 3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.457 6.809 2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.496 8.437 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.698 9.691 3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.167 8.640 0.739 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.729 7.669 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.301 9.579 1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.638 10.684 1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.852 10.763 -0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.444 10.174 -0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.148 9.103 -1.196 1.00 0.00 H new ATOM 200 N ALA A 16 8.394 7.714 5.943 1.00 0.00 N ATOM 201 CA ALA A 16 7.022 7.464 6.366 1.00 0.00 C ATOM 202 C ALA A 16 6.131 7.134 5.173 1.00 0.00 C ATOM 203 O ALA A 16 6.349 7.628 4.067 1.00 0.00 O ATOM 204 CB ALA A 16 6.475 8.667 7.120 1.00 0.00 C ATOM 0 H ALA A 16 8.840 8.507 6.404 1.00 0.00 H new ATOM 0 HA ALA A 16 7.025 6.602 7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.449 8.467 7.430 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.090 8.855 8.000 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.493 9.542 6.471 1.00 0.00 H new ATOM 210 N VAL A 17 5.125 6.297 5.405 1.00 0.00 N ATOM 211 CA VAL A 17 4.200 5.902 4.350 1.00 0.00 C ATOM 212 C VAL A 17 3.252 7.041 3.995 1.00 0.00 C ATOM 213 O VAL A 17 2.832 7.178 2.846 1.00 0.00 O ATOM 214 CB VAL A 17 3.373 4.669 4.761 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.381 4.303 3.668 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.287 3.495 5.077 1.00 0.00 C ATOM 0 H VAL A 17 4.930 5.879 6.315 1.00 0.00 H new ATOM 0 HA VAL A 17 4.804 5.651 3.478 1.00 0.00 H new ATOM 0 HB VAL A 17 2.811 4.915 5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.806 3.430 3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.705 5.140 3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.920 4.076 2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.686 2.633 5.365 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.878 3.247 4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.953 3.763 5.897 1.00 0.00 H new ATOM 226 N ASP A 18 2.918 7.857 4.989 1.00 0.00 N ATOM 227 CA ASP A 18 2.020 8.987 4.782 1.00 0.00 C ATOM 228 C ASP A 18 2.663 10.033 3.877 1.00 0.00 C ATOM 229 O ASP A 18 2.039 11.036 3.529 1.00 0.00 O ATOM 230 CB ASP A 18 1.642 9.618 6.124 1.00 0.00 C ATOM 231 CG ASP A 18 2.739 10.508 6.674 1.00 0.00 C ATOM 232 OD1 ASP A 18 3.829 9.984 6.984 1.00 0.00 O ATOM 233 OD2 ASP A 18 2.507 11.729 6.796 1.00 0.00 O ATOM 0 H ASP A 18 3.256 7.757 5.946 1.00 0.00 H new ATOM 0 HA ASP A 18 1.117 8.618 4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.730 10.203 6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.422 8.830 6.844 1.00 0.00 H new ATOM 238 N LYS A 19 3.914 9.794 3.500 1.00 0.00 N ATOM 239 CA LYS A 19 4.643 10.714 2.636 1.00 0.00 C ATOM 240 C LYS A 19 4.913 10.083 1.274 1.00 0.00 C ATOM 241 O LYS A 19 5.532 10.698 0.406 1.00 0.00 O ATOM 242 CB LYS A 19 5.964 11.124 3.291 1.00 0.00 C ATOM 243 CG LYS A 19 5.854 12.368 4.155 1.00 0.00 C ATOM 244 CD LYS A 19 5.065 12.097 5.425 1.00 0.00 C ATOM 245 CE LYS A 19 5.271 13.197 6.455 1.00 0.00 C ATOM 246 NZ LYS A 19 6.688 13.273 6.908 1.00 0.00 N ATOM 0 H LYS A 19 4.445 8.969 3.780 1.00 0.00 H new ATOM 0 HA LYS A 19 4.027 11.601 2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.328 10.298 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.707 11.297 2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.852 12.722 4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.371 13.164 3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.005 12.015 5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.371 11.140 5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.974 14.155 6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.624 13.017 7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.730 13.726 7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.084 12.314 6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.241 13.832 6.227 1.00 0.00 H new ATOM 260 N TRP A 20 4.444 8.854 1.093 1.00 0.00 N ATOM 261 CA TRP A 20 4.633 8.140 -0.165 1.00 0.00 C ATOM 262 C TRP A 20 3.805 8.770 -1.278 1.00 0.00 C ATOM 263 O TRP A 20 2.892 9.556 -1.019 1.00 0.00 O ATOM 264 CB TRP A 20 4.255 6.667 -0.001 1.00 0.00 C ATOM 265 CG TRP A 20 5.181 5.913 0.904 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.193 6.434 1.660 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.182 4.502 1.146 1.00 0.00 C ATOM 268 NE1 TRP A 20 6.822 5.431 2.357 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.220 4.237 2.061 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.405 3.437 0.682 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.500 2.951 2.516 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.685 2.162 1.135 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.724 1.927 2.045 1.00 0.00 C ATOM 0 H TRP A 20 3.930 8.331 1.802 1.00 0.00 H new ATOM 0 HA TRP A 20 5.686 8.209 -0.439 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.241 6.601 0.393 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.248 6.190 -0.981 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.459 7.480 1.703 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.610 5.555 2.992 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.600 3.607 -0.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.302 2.768 3.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 4.092 1.332 0.781 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.916 0.919 2.381 1.00 0.00 H new ATOM 284 N THR A 21 4.127 8.422 -2.520 1.00 0.00 N ATOM 285 CA THR A 21 3.413 8.954 -3.674 1.00 0.00 C ATOM 286 C THR A 21 2.698 7.845 -4.438 1.00 0.00 C ATOM 287 O THR A 21 3.062 6.673 -4.336 1.00 0.00 O ATOM 288 CB THR A 21 4.365 9.692 -4.633 1.00 0.00 C ATOM 289 OG1 THR A 21 5.513 8.879 -4.905 1.00 0.00 O ATOM 290 CG2 THR A 21 4.808 11.021 -4.041 1.00 0.00 C ATOM 0 H THR A 21 4.879 7.773 -2.752 1.00 0.00 H new ATOM 0 HA THR A 21 2.676 9.660 -3.291 1.00 0.00 H new ATOM 0 HB THR A 21 3.829 9.887 -5.562 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.113 9.354 -5.517 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.480 11.523 -4.737 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.935 11.649 -3.862 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.327 10.845 -3.099 1.00 0.00 H new ATOM 298 N THR A 22 1.680 8.223 -5.204 1.00 0.00 N ATOM 299 CA THR A 22 0.914 7.260 -5.985 1.00 0.00 C ATOM 300 C THR A 22 1.821 6.188 -6.580 1.00 0.00 C ATOM 301 O THR A 22 1.386 5.066 -6.834 1.00 0.00 O ATOM 302 CB THR A 22 0.139 7.950 -7.124 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.293 9.249 -6.705 1.00 0.00 O ATOM 304 CG2 THR A 22 -1.066 7.119 -7.539 1.00 0.00 C ATOM 0 H THR A 22 1.367 9.189 -5.300 1.00 0.00 H new ATOM 0 HA THR A 22 0.204 6.793 -5.302 1.00 0.00 H new ATOM 0 HB THR A 22 0.806 8.048 -7.981 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.783 9.682 -7.435 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.598 7.626 -8.344 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.732 6.141 -7.884 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.733 6.994 -6.686 1.00 0.00 H new ATOM 312 N GLU A 23 3.083 6.543 -6.799 1.00 0.00 N ATOM 313 CA GLU A 23 4.051 5.610 -7.364 1.00 0.00 C ATOM 314 C GLU A 23 4.570 4.652 -6.296 1.00 0.00 C ATOM 315 O GLU A 23 4.369 3.441 -6.384 1.00 0.00 O ATOM 316 CB GLU A 23 5.219 6.372 -7.993 1.00 0.00 C ATOM 317 CG GLU A 23 5.857 5.646 -9.166 1.00 0.00 C ATOM 318 CD GLU A 23 7.202 6.231 -9.552 1.00 0.00 C ATOM 319 OE1 GLU A 23 8.222 5.813 -8.965 1.00 0.00 O ATOM 320 OE2 GLU A 23 7.234 7.107 -10.441 1.00 0.00 O ATOM 0 H GLU A 23 3.459 7.469 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 23 3.549 5.028 -8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.867 7.348 -8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.978 6.551 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.982 4.593 -8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.186 5.690 -10.024 1.00 0.00 H new ATOM 327 N GLU A 24 5.239 5.204 -5.289 1.00 0.00 N ATOM 328 CA GLU A 24 5.789 4.398 -4.205 1.00 0.00 C ATOM 329 C GLU A 24 4.708 3.526 -3.573 1.00 0.00 C ATOM 330 O GLU A 24 4.951 2.369 -3.227 1.00 0.00 O ATOM 331 CB GLU A 24 6.421 5.297 -3.140 1.00 0.00 C ATOM 332 CG GLU A 24 7.648 6.049 -3.629 1.00 0.00 C ATOM 333 CD GLU A 24 8.453 5.256 -4.640 1.00 0.00 C ATOM 334 OE1 GLU A 24 8.093 5.282 -5.836 1.00 0.00 O ATOM 335 OE2 GLU A 24 9.442 4.610 -4.237 1.00 0.00 O ATOM 0 H GLU A 24 5.413 6.205 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 24 6.557 3.748 -4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.678 6.016 -2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.698 4.688 -2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.337 6.992 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.282 6.295 -2.777 1.00 0.00 H new ATOM 342 N VAL A 25 3.513 4.088 -3.426 1.00 0.00 N ATOM 343 CA VAL A 25 2.393 3.363 -2.837 1.00 0.00 C ATOM 344 C VAL A 25 2.157 2.039 -3.555 1.00 0.00 C ATOM 345 O VAL A 25 2.021 0.993 -2.921 1.00 0.00 O ATOM 346 CB VAL A 25 1.099 4.197 -2.881 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.099 3.344 -2.492 1.00 0.00 C ATOM 348 CG2 VAL A 25 1.217 5.412 -1.974 1.00 0.00 C ATOM 0 H VAL A 25 3.295 5.044 -3.707 1.00 0.00 H new ATOM 0 HA VAL A 25 2.654 3.167 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 25 0.948 4.549 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.004 3.950 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.192 2.509 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.040 2.961 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.294 5.990 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.393 5.085 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.050 6.033 -2.304 1.00 0.00 H new ATOM 358 N VAL A 26 2.110 2.092 -4.882 1.00 0.00 N ATOM 359 CA VAL A 26 1.892 0.897 -5.688 1.00 0.00 C ATOM 360 C VAL A 26 3.127 0.003 -5.690 1.00 0.00 C ATOM 361 O VAL A 26 3.021 -1.221 -5.775 1.00 0.00 O ATOM 362 CB VAL A 26 1.530 1.257 -7.141 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.399 0.000 -7.986 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.248 2.074 -7.183 1.00 0.00 C ATOM 0 H VAL A 26 2.220 2.950 -5.422 1.00 0.00 H new ATOM 0 HA VAL A 26 1.058 0.359 -5.237 1.00 0.00 H new ATOM 0 HB VAL A 26 2.334 1.863 -7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.143 0.275 -9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.345 -0.542 -7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.615 -0.635 -7.574 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.007 2.320 -8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.567 1.495 -6.748 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.384 2.994 -6.614 1.00 0.00 H new ATOM 374 N LEU A 27 4.299 0.622 -5.595 1.00 0.00 N ATOM 375 CA LEU A 27 5.556 -0.117 -5.586 1.00 0.00 C ATOM 376 C LEU A 27 5.647 -1.022 -4.361 1.00 0.00 C ATOM 377 O LEU A 27 5.886 -2.223 -4.481 1.00 0.00 O ATOM 378 CB LEU A 27 6.740 0.851 -5.608 1.00 0.00 C ATOM 379 CG LEU A 27 7.257 1.248 -6.991 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.443 2.192 -6.867 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.639 0.012 -7.793 1.00 0.00 C ATOM 0 H LEU A 27 4.404 1.634 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 27 5.588 -0.741 -6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.452 1.758 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.562 0.401 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 27 6.459 1.768 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.797 2.464 -7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.138 3.091 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.245 1.698 -6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.005 0.314 -8.774 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.421 -0.536 -7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.765 -0.628 -7.913 1.00 0.00 H new ATOM 393 N TRP A 28 5.453 -0.437 -3.185 1.00 0.00 N ATOM 394 CA TRP A 28 5.511 -1.191 -1.938 1.00 0.00 C ATOM 395 C TRP A 28 4.512 -2.342 -1.951 1.00 0.00 C ATOM 396 O TRP A 28 4.807 -3.439 -1.475 1.00 0.00 O ATOM 397 CB TRP A 28 5.231 -0.270 -0.748 1.00 0.00 C ATOM 398 CG TRP A 28 4.786 -1.006 0.480 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.584 -1.616 1.404 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.437 -1.209 0.915 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.813 -2.186 2.388 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.492 -1.950 2.111 1.00 0.00 C ATOM 403 CE3 TRP A 28 2.188 -0.835 0.411 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.347 -2.324 2.808 1.00 0.00 C ATOM 405 CZ3 TRP A 28 1.052 -1.207 1.104 1.00 0.00 C ATOM 406 CH2 TRP A 28 1.137 -1.945 2.292 1.00 0.00 C ATOM 0 H TRP A 28 5.254 0.557 -3.068 1.00 0.00 H new ATOM 0 HA TRP A 28 6.514 -1.606 -1.840 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.133 0.297 -0.516 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.464 0.452 -1.029 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.663 -1.646 1.367 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.167 -2.701 3.194 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.112 -0.266 -0.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.411 -2.893 3.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.082 -0.924 0.723 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.230 -2.220 2.811 1.00 0.00 H new ATOM 417 N LEU A 29 3.329 -2.087 -2.498 1.00 0.00 N ATOM 418 CA LEU A 29 2.285 -3.103 -2.574 1.00 0.00 C ATOM 419 C LEU A 29 2.597 -4.124 -3.663 1.00 0.00 C ATOM 420 O LEU A 29 2.137 -5.264 -3.608 1.00 0.00 O ATOM 421 CB LEU A 29 0.928 -2.451 -2.844 1.00 0.00 C ATOM 422 CG LEU A 29 -0.202 -3.396 -3.252 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.836 -4.032 -2.024 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.249 -2.655 -4.071 1.00 0.00 C ATOM 0 H LEU A 29 3.068 -1.185 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 29 2.247 -3.621 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.620 -1.915 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.055 -1.708 -3.631 1.00 0.00 H new ATOM 0 HG LEU A 29 0.220 -4.189 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.638 -4.701 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.082 -4.598 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.243 -3.253 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.045 -3.344 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.666 -1.841 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.787 -2.248 -4.970 1.00 0.00 H new ATOM 436 N GLU A 30 3.383 -3.707 -4.651 1.00 0.00 N ATOM 437 CA GLU A 30 3.758 -4.586 -5.752 1.00 0.00 C ATOM 438 C GLU A 30 4.891 -5.521 -5.340 1.00 0.00 C ATOM 439 O GLU A 30 5.501 -6.180 -6.181 1.00 0.00 O ATOM 440 CB GLU A 30 4.178 -3.763 -6.971 1.00 0.00 C ATOM 441 CG GLU A 30 3.019 -3.371 -7.871 1.00 0.00 C ATOM 442 CD GLU A 30 3.477 -2.824 -9.209 1.00 0.00 C ATOM 443 OE1 GLU A 30 4.224 -1.823 -9.215 1.00 0.00 O ATOM 444 OE2 GLU A 30 3.089 -3.396 -10.248 1.00 0.00 O ATOM 0 H GLU A 30 3.772 -2.766 -4.711 1.00 0.00 H new ATOM 0 HA GLU A 30 2.889 -5.190 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.685 -2.860 -6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.901 -4.335 -7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.383 -4.240 -8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.409 -2.622 -7.366 1.00 0.00 H new ATOM 451 N GLN A 31 5.166 -5.572 -4.041 1.00 0.00 N ATOM 452 CA GLN A 31 6.226 -6.425 -3.518 1.00 0.00 C ATOM 453 C GLN A 31 5.657 -7.499 -2.597 1.00 0.00 C ATOM 454 O GLN A 31 6.223 -8.586 -2.468 1.00 0.00 O ATOM 455 CB GLN A 31 7.259 -5.586 -2.764 1.00 0.00 C ATOM 456 CG GLN A 31 8.205 -4.821 -3.676 1.00 0.00 C ATOM 457 CD GLN A 31 9.153 -3.921 -2.910 1.00 0.00 C ATOM 458 OE1 GLN A 31 10.270 -4.318 -2.575 1.00 0.00 O ATOM 459 NE2 GLN A 31 8.714 -2.700 -2.629 1.00 0.00 N ATOM 0 H GLN A 31 4.670 -5.033 -3.332 1.00 0.00 H new ATOM 0 HA GLN A 31 6.712 -6.916 -4.361 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.739 -4.878 -2.118 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.842 -6.240 -2.116 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.783 -5.529 -4.270 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.623 -4.219 -4.374 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.781 -2.412 -2.926 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.309 -2.049 -2.116 1.00 0.00 H new ATOM 468 N LEU A 32 4.534 -7.190 -1.959 1.00 0.00 N ATOM 469 CA LEU A 32 3.887 -8.129 -1.049 1.00 0.00 C ATOM 470 C LEU A 32 3.476 -9.402 -1.782 1.00 0.00 C ATOM 471 O LEU A 32 3.393 -10.474 -1.185 1.00 0.00 O ATOM 472 CB LEU A 32 2.661 -7.481 -0.403 1.00 0.00 C ATOM 473 CG LEU A 32 2.785 -5.994 -0.069 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.585 -5.526 0.740 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.078 -5.723 0.687 1.00 0.00 C ATOM 0 H LEU A 32 4.052 -6.296 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 32 4.603 -8.394 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.811 -7.613 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.431 -8.021 0.515 1.00 0.00 H new ATOM 0 HG LEU A 32 2.809 -5.433 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.691 -4.465 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.674 -5.684 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.529 -6.093 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.149 -4.660 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.084 -6.295 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.928 -6.019 0.072 1.00 0.00 H new ATOM 487 N GLY A 33 3.221 -9.275 -3.081 1.00 0.00 N ATOM 488 CA GLY A 33 2.825 -10.423 -3.875 1.00 0.00 C ATOM 489 C GLY A 33 2.533 -10.059 -5.317 1.00 0.00 C ATOM 490 O GLY A 33 2.378 -8.888 -5.664 1.00 0.00 O ATOM 0 H GLY A 33 3.282 -8.397 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.617 -11.171 -3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.939 -10.879 -3.432 1.00 0.00 H new ATOM 494 N PRO A 34 2.457 -11.078 -6.185 1.00 0.00 N ATOM 495 CA PRO A 34 2.183 -10.884 -7.612 1.00 0.00 C ATOM 496 C PRO A 34 0.751 -10.428 -7.871 1.00 0.00 C ATOM 497 O PRO A 34 0.469 -9.782 -8.880 1.00 0.00 O ATOM 498 CB PRO A 34 2.418 -12.273 -8.211 1.00 0.00 C ATOM 499 CG PRO A 34 2.181 -13.217 -7.083 1.00 0.00 C ATOM 500 CD PRO A 34 2.631 -12.499 -5.841 1.00 0.00 C ATOM 0 HA PRO A 34 2.812 -10.106 -8.045 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.737 -12.467 -9.040 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.431 -12.369 -8.602 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.128 -13.489 -7.017 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.741 -14.142 -7.224 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.031 -12.779 -4.975 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.668 -12.729 -5.598 1.00 0.00 H new ATOM 508 N TRP A 35 -0.147 -10.766 -6.953 1.00 0.00 N ATOM 509 CA TRP A 35 -1.550 -10.390 -7.083 1.00 0.00 C ATOM 510 C TRP A 35 -1.720 -8.878 -6.989 1.00 0.00 C ATOM 511 O TRP A 35 -2.750 -8.334 -7.385 1.00 0.00 O ATOM 512 CB TRP A 35 -2.386 -11.077 -6.001 1.00 0.00 C ATOM 513 CG TRP A 35 -1.787 -10.971 -4.631 1.00 0.00 C ATOM 514 CD1 TRP A 35 -1.230 -11.980 -3.900 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.689 -9.789 -3.829 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.790 -11.497 -2.691 1.00 0.00 N ATOM 517 CE2 TRP A 35 -1.059 -10.156 -2.623 1.00 0.00 C ATOM 518 CE3 TRP A 35 -2.068 -8.457 -4.012 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.804 -9.238 -1.608 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -1.815 -7.547 -3.003 1.00 0.00 C ATOM 521 CH2 TRP A 35 -1.187 -7.941 -1.814 1.00 0.00 C ATOM 0 H TRP A 35 0.071 -11.299 -6.111 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.898 -10.716 -8.063 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.383 -10.637 -5.989 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.505 -12.130 -6.257 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.147 -13.007 -4.224 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.336 -12.048 -1.962 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.550 -8.144 -4.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.321 -9.539 -0.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.106 -6.515 -3.133 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.002 -7.206 -1.045 1.00 0.00 H new ATOM 532 N ALA A 36 -0.702 -8.204 -6.462 1.00 0.00 N ATOM 533 CA ALA A 36 -0.739 -6.754 -6.319 1.00 0.00 C ATOM 534 C ALA A 36 -1.054 -6.079 -7.649 1.00 0.00 C ATOM 535 O ALA A 36 -1.786 -5.091 -7.696 1.00 0.00 O ATOM 536 CB ALA A 36 0.584 -6.245 -5.767 1.00 0.00 C ATOM 0 H ALA A 36 0.158 -8.639 -6.127 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.534 -6.503 -5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.543 -5.161 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.768 -6.694 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.391 -6.515 -6.449 1.00 0.00 H new ATOM 542 N SER A 37 -0.496 -6.618 -8.728 1.00 0.00 N ATOM 543 CA SER A 37 -0.714 -6.064 -10.059 1.00 0.00 C ATOM 544 C SER A 37 -2.189 -6.135 -10.442 1.00 0.00 C ATOM 545 O SER A 37 -2.611 -5.557 -11.445 1.00 0.00 O ATOM 546 CB SER A 37 0.129 -6.815 -11.092 1.00 0.00 C ATOM 547 OG SER A 37 0.091 -6.166 -12.351 1.00 0.00 O ATOM 0 H SER A 37 0.110 -7.438 -8.707 1.00 0.00 H new ATOM 0 HA SER A 37 -0.410 -5.017 -10.044 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.160 -6.882 -10.745 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.240 -7.836 -11.194 1.00 0.00 H new ATOM 0 HG SER A 37 -0.804 -5.796 -12.502 1.00 0.00 H new ATOM 553 N LEU A 38 -2.969 -6.847 -9.636 1.00 0.00 N ATOM 554 CA LEU A 38 -4.398 -6.994 -9.889 1.00 0.00 C ATOM 555 C LEU A 38 -5.187 -5.870 -9.225 1.00 0.00 C ATOM 556 O LEU A 38 -6.370 -5.678 -9.507 1.00 0.00 O ATOM 557 CB LEU A 38 -4.890 -8.349 -9.376 1.00 0.00 C ATOM 558 CG LEU A 38 -4.172 -9.578 -9.935 1.00 0.00 C ATOM 559 CD1 LEU A 38 -4.422 -10.790 -9.050 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.622 -9.856 -11.362 1.00 0.00 C ATOM 0 H LEU A 38 -2.636 -7.331 -8.802 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.559 -6.939 -10.966 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.796 -8.360 -8.290 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.952 -8.438 -9.605 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.101 -9.376 -9.946 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.904 -11.655 -9.463 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.050 -10.590 -8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.492 -10.995 -9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.101 -10.734 -11.743 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.697 -10.038 -11.376 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.391 -8.996 -11.990 1.00 0.00 H new ATOM 572 N TYR A 39 -4.524 -5.129 -8.344 1.00 0.00 N ATOM 573 CA TYR A 39 -5.164 -4.024 -7.640 1.00 0.00 C ATOM 574 C TYR A 39 -4.492 -2.698 -7.984 1.00 0.00 C ATOM 575 O TYR A 39 -5.110 -1.636 -7.902 1.00 0.00 O ATOM 576 CB TYR A 39 -5.114 -4.257 -6.130 1.00 0.00 C ATOM 577 CG TYR A 39 -5.740 -5.564 -5.698 1.00 0.00 C ATOM 578 CD1 TYR A 39 -5.052 -6.763 -5.831 1.00 0.00 C ATOM 579 CD2 TYR A 39 -7.020 -5.599 -5.158 1.00 0.00 C ATOM 580 CE1 TYR A 39 -5.619 -7.960 -5.438 1.00 0.00 C ATOM 581 CE2 TYR A 39 -7.595 -6.791 -4.762 1.00 0.00 C ATOM 582 CZ TYR A 39 -6.891 -7.969 -4.904 1.00 0.00 C ATOM 583 OH TYR A 39 -7.461 -9.158 -4.511 1.00 0.00 O ATOM 0 H TYR A 39 -3.544 -5.273 -8.100 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.205 -3.977 -7.959 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.075 -4.236 -5.802 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.624 -3.436 -5.627 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.056 -6.760 -6.249 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.574 -4.679 -5.046 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.070 -8.883 -5.548 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.591 -6.801 -4.343 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.359 -8.989 -4.156 1.00 0.00 H new ATOM 593 N ARG A 40 -3.222 -2.768 -8.370 1.00 0.00 N ATOM 594 CA ARG A 40 -2.464 -1.574 -8.725 1.00 0.00 C ATOM 595 C ARG A 40 -3.327 -0.601 -9.524 1.00 0.00 C ATOM 596 O ARG A 40 -3.334 0.601 -9.257 1.00 0.00 O ATOM 597 CB ARG A 40 -1.223 -1.954 -9.535 1.00 0.00 C ATOM 598 CG ARG A 40 -1.507 -2.196 -11.008 1.00 0.00 C ATOM 599 CD ARG A 40 -0.298 -2.782 -11.720 1.00 0.00 C ATOM 600 NE ARG A 40 -0.243 -2.385 -13.124 1.00 0.00 N ATOM 601 CZ ARG A 40 0.109 -1.170 -13.530 1.00 0.00 C ATOM 602 NH1 ARG A 40 0.437 -0.240 -12.644 1.00 0.00 N ATOM 603 NH2 ARG A 40 0.135 -0.884 -14.826 1.00 0.00 N ATOM 0 H ARG A 40 -2.696 -3.639 -8.445 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.152 -1.084 -7.803 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.482 -1.160 -9.442 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.781 -2.854 -9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.354 -2.874 -11.110 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.791 -1.257 -11.484 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.612 -2.457 -11.216 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.329 -3.869 -11.652 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.488 -3.078 -13.831 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.420 -0.456 -11.647 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.707 0.692 -12.959 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.115 -1.597 -15.511 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.405 0.049 -15.137 1.00 0.00 H new ATOM 617 N ASP A 41 -4.052 -1.128 -10.504 1.00 0.00 N ATOM 618 CA ASP A 41 -4.918 -0.307 -11.341 1.00 0.00 C ATOM 619 C ASP A 41 -5.834 0.563 -10.486 1.00 0.00 C ATOM 620 O ASP A 41 -6.011 1.751 -10.758 1.00 0.00 O ATOM 621 CB ASP A 41 -5.754 -1.190 -12.269 1.00 0.00 C ATOM 622 CG ASP A 41 -4.909 -1.901 -13.307 1.00 0.00 C ATOM 623 OD1 ASP A 41 -4.267 -2.913 -12.958 1.00 0.00 O ATOM 624 OD2 ASP A 41 -4.888 -1.444 -14.470 1.00 0.00 O ATOM 0 H ASP A 41 -4.057 -2.121 -10.738 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.286 0.345 -11.944 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.293 -1.929 -11.675 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.503 -0.578 -12.772 1.00 0.00 H new ATOM 629 N ARG A 42 -6.415 -0.036 -9.451 1.00 0.00 N ATOM 630 CA ARG A 42 -7.315 0.683 -8.558 1.00 0.00 C ATOM 631 C ARG A 42 -6.554 1.730 -7.748 1.00 0.00 C ATOM 632 O ARG A 42 -7.111 2.760 -7.366 1.00 0.00 O ATOM 633 CB ARG A 42 -8.020 -0.293 -7.615 1.00 0.00 C ATOM 634 CG ARG A 42 -8.644 -1.483 -8.325 1.00 0.00 C ATOM 635 CD ARG A 42 -9.834 -2.031 -7.554 1.00 0.00 C ATOM 636 NE ARG A 42 -10.642 -2.937 -8.366 1.00 0.00 N ATOM 637 CZ ARG A 42 -10.312 -4.201 -8.606 1.00 0.00 C ATOM 638 NH1 ARG A 42 -9.196 -4.705 -8.099 1.00 0.00 N ATOM 639 NH2 ARG A 42 -11.099 -4.963 -9.355 1.00 0.00 N ATOM 0 H ARG A 42 -6.278 -1.018 -9.211 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.062 1.191 -9.168 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.303 -0.655 -6.878 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.797 0.241 -7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.962 -1.186 -9.324 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.897 -2.267 -8.448 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.480 -2.557 -6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.454 -1.204 -7.208 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.507 -2.579 -8.771 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.589 -4.122 -7.523 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.945 -5.676 -8.285 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.958 -4.578 -9.747 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.844 -5.934 -9.539 1.00 0.00 H new ATOM 653 N PHE A 43 -5.279 1.459 -7.489 1.00 0.00 N ATOM 654 CA PHE A 43 -4.443 2.376 -6.724 1.00 0.00 C ATOM 655 C PHE A 43 -4.088 3.608 -7.552 1.00 0.00 C ATOM 656 O PHE A 43 -4.232 4.741 -7.092 1.00 0.00 O ATOM 657 CB PHE A 43 -3.165 1.671 -6.264 1.00 0.00 C ATOM 658 CG PHE A 43 -3.375 0.753 -5.093 1.00 0.00 C ATOM 659 CD1 PHE A 43 -4.289 -0.286 -5.166 1.00 0.00 C ATOM 660 CD2 PHE A 43 -2.659 0.930 -3.920 1.00 0.00 C ATOM 661 CE1 PHE A 43 -4.485 -1.131 -4.091 1.00 0.00 C ATOM 662 CE2 PHE A 43 -2.850 0.087 -2.841 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.764 -0.945 -2.927 1.00 0.00 C ATOM 0 H PHE A 43 -4.802 0.612 -7.798 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.007 2.698 -5.849 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.756 1.098 -7.096 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.421 2.422 -5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.855 -0.437 -6.074 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.943 1.736 -3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.201 -1.936 -4.160 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.285 0.235 -1.932 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.915 -1.605 -2.086 1.00 0.00 H new ATOM 673 N LEU A 44 -3.622 3.377 -8.774 1.00 0.00 N ATOM 674 CA LEU A 44 -3.244 4.467 -9.667 1.00 0.00 C ATOM 675 C LEU A 44 -4.464 5.293 -10.064 1.00 0.00 C ATOM 676 O LEU A 44 -4.485 6.511 -9.889 1.00 0.00 O ATOM 677 CB LEU A 44 -2.560 3.914 -10.919 1.00 0.00 C ATOM 678 CG LEU A 44 -1.130 3.406 -10.733 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.258 4.484 -10.108 1.00 0.00 C ATOM 680 CD2 LEU A 44 -1.118 2.147 -9.878 1.00 0.00 C ATOM 0 H LEU A 44 -3.497 2.445 -9.169 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.546 5.114 -9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.167 3.097 -11.309 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.551 4.695 -11.679 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.722 3.160 -11.713 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.756 4.105 -9.983 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.241 5.360 -10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.664 4.762 -9.135 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.092 1.800 -9.756 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.545 2.368 -8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.708 1.371 -10.365 1.00 0.00 H new ATOM 692 N SER A 45 -5.480 4.621 -10.596 1.00 0.00 N ATOM 693 CA SER A 45 -6.703 5.293 -11.019 1.00 0.00 C ATOM 694 C SER A 45 -7.252 6.175 -9.901 1.00 0.00 C ATOM 695 O SER A 45 -7.583 7.339 -10.122 1.00 0.00 O ATOM 696 CB SER A 45 -7.756 4.265 -11.437 1.00 0.00 C ATOM 697 OG SER A 45 -8.642 4.806 -12.402 1.00 0.00 O ATOM 0 H SER A 45 -5.480 3.612 -10.744 1.00 0.00 H new ATOM 0 HA SER A 45 -6.464 5.926 -11.874 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.265 3.382 -11.845 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.320 3.941 -10.562 1.00 0.00 H new ATOM 0 HG SER A 45 -9.304 4.129 -12.654 1.00 0.00 H new ATOM 703 N GLU A 46 -7.346 5.609 -8.702 1.00 0.00 N ATOM 704 CA GLU A 46 -7.856 6.344 -7.550 1.00 0.00 C ATOM 705 C GLU A 46 -6.770 7.227 -6.943 1.00 0.00 C ATOM 706 O GLU A 46 -6.940 7.781 -5.857 1.00 0.00 O ATOM 707 CB GLU A 46 -8.389 5.373 -6.494 1.00 0.00 C ATOM 708 CG GLU A 46 -9.684 4.687 -6.895 1.00 0.00 C ATOM 709 CD GLU A 46 -10.800 5.672 -7.185 1.00 0.00 C ATOM 710 OE1 GLU A 46 -11.135 6.471 -6.287 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.339 5.642 -8.312 1.00 0.00 O ATOM 0 H GLU A 46 -7.076 4.646 -8.503 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.671 6.983 -7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.632 4.614 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.549 5.915 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.507 4.073 -7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.997 4.014 -6.097 1.00 0.00 H new ATOM 718 N ARG A 47 -5.653 7.353 -7.653 1.00 0.00 N ATOM 719 CA ARG A 47 -4.538 8.166 -7.184 1.00 0.00 C ATOM 720 C ARG A 47 -4.260 7.909 -5.706 1.00 0.00 C ATOM 721 O ARG A 47 -3.871 8.815 -4.969 1.00 0.00 O ATOM 722 CB ARG A 47 -4.833 9.651 -7.408 1.00 0.00 C ATOM 723 CG ARG A 47 -5.014 10.022 -8.870 1.00 0.00 C ATOM 724 CD ARG A 47 -3.787 9.661 -9.693 1.00 0.00 C ATOM 725 NE ARG A 47 -3.618 10.547 -10.842 1.00 0.00 N ATOM 726 CZ ARG A 47 -3.233 11.815 -10.742 1.00 0.00 C ATOM 727 NH1 ARG A 47 -2.978 12.342 -9.553 1.00 0.00 N ATOM 728 NH2 ARG A 47 -3.102 12.557 -11.834 1.00 0.00 N ATOM 0 H ARG A 47 -5.497 6.902 -8.555 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.653 7.887 -7.755 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.735 9.920 -6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.018 10.242 -6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.887 9.507 -9.272 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.208 11.091 -8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.900 9.712 -9.062 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.873 8.631 -10.039 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.806 10.172 -11.772 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.077 11.774 -8.712 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.683 13.316 -9.479 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.297 12.154 -12.751 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.807 13.530 -11.757 1.00 0.00 H new ATOM 742 N VAL A 48 -4.464 6.667 -5.279 1.00 0.00 N ATOM 743 CA VAL A 48 -4.235 6.289 -3.889 1.00 0.00 C ATOM 744 C VAL A 48 -2.812 6.623 -3.456 1.00 0.00 C ATOM 745 O VAL A 48 -1.870 5.899 -3.773 1.00 0.00 O ATOM 746 CB VAL A 48 -4.488 4.787 -3.666 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.265 4.417 -2.208 1.00 0.00 C ATOM 748 CG2 VAL A 48 -5.895 4.413 -4.110 1.00 0.00 C ATOM 0 H VAL A 48 -4.787 5.905 -5.875 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.940 6.862 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.778 4.223 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.449 3.351 -2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.237 4.647 -1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.949 4.987 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.057 3.348 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.622 4.984 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.014 4.639 -5.170 1.00 0.00 H new ATOM 758 N ASN A 49 -2.664 7.726 -2.728 1.00 0.00 N ATOM 759 CA ASN A 49 -1.355 8.156 -2.251 1.00 0.00 C ATOM 760 C ASN A 49 -1.081 7.615 -0.851 1.00 0.00 C ATOM 761 O ASN A 49 -2.004 7.255 -0.122 1.00 0.00 O ATOM 762 CB ASN A 49 -1.268 9.684 -2.245 1.00 0.00 C ATOM 763 CG ASN A 49 -2.026 10.301 -1.085 1.00 0.00 C ATOM 764 OD1 ASN A 49 -1.462 10.536 -0.016 1.00 0.00 O ATOM 765 ND2 ASN A 49 -3.310 10.566 -1.292 1.00 0.00 N ATOM 0 H ASN A 49 -3.434 8.337 -2.456 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.600 7.758 -2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.222 9.986 -2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.666 10.072 -3.183 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.871 10.981 -0.549 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.735 10.354 -2.195 1.00 0.00 H new ATOM 772 N GLY A 50 0.196 7.560 -0.483 1.00 0.00 N ATOM 773 CA GLY A 50 0.569 7.062 0.828 1.00 0.00 C ATOM 774 C GLY A 50 -0.424 7.459 1.903 1.00 0.00 C ATOM 775 O GLY A 50 -1.070 6.603 2.507 1.00 0.00 O ATOM 0 H GLY A 50 0.978 7.851 -1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.646 5.975 0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.556 7.443 1.091 1.00 0.00 H new ATOM 779 N ARG A 51 -0.544 8.761 2.144 1.00 0.00 N ATOM 780 CA ARG A 51 -1.462 9.269 3.156 1.00 0.00 C ATOM 781 C ARG A 51 -2.812 8.562 3.069 1.00 0.00 C ATOM 782 O ARG A 51 -3.374 8.148 4.084 1.00 0.00 O ATOM 783 CB ARG A 51 -1.652 10.778 2.990 1.00 0.00 C ATOM 784 CG ARG A 51 -2.023 11.490 4.281 1.00 0.00 C ATOM 785 CD ARG A 51 -3.526 11.487 4.507 1.00 0.00 C ATOM 786 NE ARG A 51 -3.907 12.286 5.669 1.00 0.00 N ATOM 787 CZ ARG A 51 -5.166 12.562 5.991 1.00 0.00 C ATOM 788 NH1 ARG A 51 -6.160 12.106 5.242 1.00 0.00 N ATOM 789 NH2 ARG A 51 -5.432 13.296 7.064 1.00 0.00 N ATOM 0 H ARG A 51 -0.017 9.483 1.652 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.030 9.070 4.137 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.732 11.211 2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.430 10.958 2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.527 11.004 5.121 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.661 12.518 4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.027 11.876 3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.870 10.462 4.644 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.166 12.652 6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.959 11.542 4.416 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.126 12.319 5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.670 13.649 7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.399 13.507 7.310 1.00 0.00 H new ATOM 803 N LEU A 52 -3.326 8.429 1.852 1.00 0.00 N ATOM 804 CA LEU A 52 -4.611 7.773 1.632 1.00 0.00 C ATOM 805 C LEU A 52 -4.542 6.299 2.017 1.00 0.00 C ATOM 806 O LEU A 52 -5.399 5.796 2.746 1.00 0.00 O ATOM 807 CB LEU A 52 -5.032 7.911 0.168 1.00 0.00 C ATOM 808 CG LEU A 52 -6.469 7.505 -0.158 1.00 0.00 C ATOM 809 CD1 LEU A 52 -6.604 5.990 -0.179 1.00 0.00 C ATOM 810 CD2 LEU A 52 -7.437 8.115 0.846 1.00 0.00 C ATOM 0 H LEU A 52 -2.874 8.766 1.002 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.353 8.260 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.892 8.949 -0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.358 7.309 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.718 7.885 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.634 5.720 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.939 5.576 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.336 5.587 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.455 7.815 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.190 7.766 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.360 9.202 0.811 1.00 0.00 H new ATOM 822 N LEU A 53 -3.518 5.612 1.525 1.00 0.00 N ATOM 823 CA LEU A 53 -3.336 4.194 1.819 1.00 0.00 C ATOM 824 C LEU A 53 -3.386 3.940 3.322 1.00 0.00 C ATOM 825 O LEU A 53 -3.942 2.938 3.775 1.00 0.00 O ATOM 826 CB LEU A 53 -2.003 3.703 1.252 1.00 0.00 C ATOM 827 CG LEU A 53 -1.891 2.197 1.011 1.00 0.00 C ATOM 828 CD1 LEU A 53 -0.504 1.840 0.499 1.00 0.00 C ATOM 829 CD2 LEU A 53 -2.205 1.428 2.286 1.00 0.00 C ATOM 0 H LEU A 53 -2.801 6.013 0.921 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.150 3.642 1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.821 4.216 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.208 4.002 1.935 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.620 1.915 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.443 0.764 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.317 2.363 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.243 2.137 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.120 0.358 2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.500 1.715 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.220 1.660 2.610 1.00 0.00 H new ATOM 841 N LEU A 54 -2.804 4.853 4.092 1.00 0.00 N ATOM 842 CA LEU A 54 -2.784 4.729 5.545 1.00 0.00 C ATOM 843 C LEU A 54 -4.187 4.881 6.124 1.00 0.00 C ATOM 844 O LEU A 54 -4.666 4.016 6.857 1.00 0.00 O ATOM 845 CB LEU A 54 -1.852 5.778 6.154 1.00 0.00 C ATOM 846 CG LEU A 54 -0.372 5.400 6.226 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.458 6.583 6.699 1.00 0.00 C ATOM 848 CD2 LEU A 54 -0.171 4.204 7.145 1.00 0.00 C ATOM 0 H LEU A 54 -2.340 5.688 3.734 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.414 3.735 5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.944 6.697 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.199 6.001 7.163 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.038 5.124 5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.508 6.296 6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.339 7.413 6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.123 6.890 7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.888 3.949 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.522 4.452 8.147 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.735 3.353 6.763 1.00 0.00 H new ATOM 860 N THR A 55 -4.843 5.987 5.787 1.00 0.00 N ATOM 861 CA THR A 55 -6.192 6.253 6.272 1.00 0.00 C ATOM 862 C THR A 55 -7.105 5.055 6.042 1.00 0.00 C ATOM 863 O THR A 55 -8.044 4.821 6.804 1.00 0.00 O ATOM 864 CB THR A 55 -6.802 7.489 5.585 1.00 0.00 C ATOM 865 OG1 THR A 55 -7.006 7.225 4.193 1.00 0.00 O ATOM 866 CG2 THR A 55 -5.898 8.701 5.750 1.00 0.00 C ATOM 0 H THR A 55 -4.462 6.713 5.180 1.00 0.00 H new ATOM 0 HA THR A 55 -6.111 6.444 7.342 1.00 0.00 H new ATOM 0 HB THR A 55 -7.761 7.704 6.057 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.258 6.694 3.848 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.350 9.562 5.257 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.769 8.917 6.811 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.926 8.494 5.301 1.00 0.00 H new ATOM 874 N LEU A 56 -6.825 4.298 4.986 1.00 0.00 N ATOM 875 CA LEU A 56 -7.622 3.121 4.656 1.00 0.00 C ATOM 876 C LEU A 56 -7.532 2.074 5.761 1.00 0.00 C ATOM 877 O LEU A 56 -6.444 1.754 6.241 1.00 0.00 O ATOM 878 CB LEU A 56 -7.154 2.521 3.329 1.00 0.00 C ATOM 879 CG LEU A 56 -7.374 3.384 2.086 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.590 2.831 0.906 1.00 0.00 C ATOM 881 CD2 LEU A 56 -8.856 3.468 1.752 1.00 0.00 C ATOM 0 H LEU A 56 -6.053 4.478 4.344 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.662 3.432 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.090 2.300 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.667 1.571 3.182 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.011 4.390 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.759 3.458 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.527 2.823 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.921 1.815 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.995 4.086 0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.243 2.467 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.393 3.911 2.590 1.00 0.00 H new ATOM 893 N THR A 57 -8.683 1.541 6.160 1.00 0.00 N ATOM 894 CA THR A 57 -8.734 0.530 7.207 1.00 0.00 C ATOM 895 C THR A 57 -9.270 -0.792 6.669 1.00 0.00 C ATOM 896 O THR A 57 -9.794 -0.853 5.557 1.00 0.00 O ATOM 897 CB THR A 57 -9.615 0.986 8.386 1.00 0.00 C ATOM 898 OG1 THR A 57 -10.966 1.166 7.947 1.00 0.00 O ATOM 899 CG2 THR A 57 -9.092 2.284 8.982 1.00 0.00 C ATOM 0 H THR A 57 -9.592 1.794 5.773 1.00 0.00 H new ATOM 0 HA THR A 57 -7.712 0.388 7.560 1.00 0.00 H new ATOM 0 HB THR A 57 -9.583 0.214 9.155 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.520 1.454 8.702 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.730 2.586 9.813 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.074 2.135 9.342 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.097 3.063 8.219 1.00 0.00 H new ATOM 907 N GLU A 58 -9.136 -1.848 7.466 1.00 0.00 N ATOM 908 CA GLU A 58 -9.607 -3.169 7.067 1.00 0.00 C ATOM 909 C GLU A 58 -11.031 -3.098 6.524 1.00 0.00 C ATOM 910 O GLU A 58 -11.482 -3.998 5.817 1.00 0.00 O ATOM 911 CB GLU A 58 -9.550 -4.135 8.253 1.00 0.00 C ATOM 912 CG GLU A 58 -10.393 -5.384 8.062 1.00 0.00 C ATOM 913 CD GLU A 58 -10.527 -6.197 9.335 1.00 0.00 C ATOM 914 OE1 GLU A 58 -10.473 -5.598 10.430 1.00 0.00 O ATOM 915 OE2 GLU A 58 -10.686 -7.432 9.237 1.00 0.00 O ATOM 0 H GLU A 58 -8.706 -1.814 8.390 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.953 -3.536 6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.514 -4.429 8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.884 -3.615 9.151 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.385 -5.098 7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.946 -6.004 7.285 1.00 0.00 H new ATOM 922 N GLU A 59 -11.734 -2.021 6.861 1.00 0.00 N ATOM 923 CA GLU A 59 -13.107 -1.832 6.408 1.00 0.00 C ATOM 924 C GLU A 59 -13.142 -1.133 5.052 1.00 0.00 C ATOM 925 O GLU A 59 -13.644 -1.682 4.073 1.00 0.00 O ATOM 926 CB GLU A 59 -13.899 -1.020 7.434 1.00 0.00 C ATOM 927 CG GLU A 59 -14.940 -0.104 6.813 1.00 0.00 C ATOM 928 CD GLU A 59 -16.045 0.267 7.783 1.00 0.00 C ATOM 929 OE1 GLU A 59 -16.857 -0.618 8.124 1.00 0.00 O ATOM 930 OE2 GLU A 59 -16.096 1.442 8.202 1.00 0.00 O ATOM 0 H GLU A 59 -11.375 -1.266 7.446 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.566 -2.815 6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.394 -1.705 8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.206 -0.421 8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.453 0.804 6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.376 -0.593 5.942 1.00 0.00 H new ATOM 937 N GLU A 60 -12.604 0.082 5.006 1.00 0.00 N ATOM 938 CA GLU A 60 -12.576 0.858 3.772 1.00 0.00 C ATOM 939 C GLU A 60 -11.980 0.040 2.629 1.00 0.00 C ATOM 940 O GLU A 60 -12.314 0.247 1.462 1.00 0.00 O ATOM 941 CB GLU A 60 -11.768 2.142 3.968 1.00 0.00 C ATOM 942 CG GLU A 60 -12.395 3.110 4.958 1.00 0.00 C ATOM 943 CD GLU A 60 -13.571 3.865 4.371 1.00 0.00 C ATOM 944 OE1 GLU A 60 -13.339 4.861 3.655 1.00 0.00 O ATOM 945 OE2 GLU A 60 -14.724 3.458 4.627 1.00 0.00 O ATOM 0 H GLU A 60 -12.182 0.550 5.808 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.602 1.119 3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.766 1.882 4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.656 2.641 3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.725 2.560 5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.640 3.823 5.291 1.00 0.00 H new ATOM 952 N PHE A 61 -11.095 -0.891 2.974 1.00 0.00 N ATOM 953 CA PHE A 61 -10.451 -1.739 1.978 1.00 0.00 C ATOM 954 C PHE A 61 -11.453 -2.714 1.365 1.00 0.00 C ATOM 955 O PHE A 61 -11.292 -3.150 0.225 1.00 0.00 O ATOM 956 CB PHE A 61 -9.292 -2.512 2.610 1.00 0.00 C ATOM 957 CG PHE A 61 -8.067 -1.674 2.839 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.477 -0.984 1.792 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.504 -1.577 4.101 1.00 0.00 C ATOM 960 CE1 PHE A 61 -6.350 -0.212 1.999 1.00 0.00 C ATOM 961 CE2 PHE A 61 -6.377 -0.806 4.315 1.00 0.00 C ATOM 962 CZ PHE A 61 -5.799 -0.123 3.262 1.00 0.00 C ATOM 0 H PHE A 61 -10.808 -1.077 3.935 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.063 -1.098 1.186 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.620 -2.929 3.562 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.032 -3.352 1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.903 -1.051 0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.951 -2.110 4.927 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.901 0.321 1.174 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.949 -0.737 5.304 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.918 0.479 3.427 1.00 0.00 H new ATOM 972 N SER A 62 -12.486 -3.051 2.130 1.00 0.00 N ATOM 973 CA SER A 62 -13.512 -3.977 1.664 1.00 0.00 C ATOM 974 C SER A 62 -14.617 -3.234 0.920 1.00 0.00 C ATOM 975 O SER A 62 -15.603 -3.833 0.490 1.00 0.00 O ATOM 976 CB SER A 62 -14.105 -4.749 2.844 1.00 0.00 C ATOM 977 OG SER A 62 -15.306 -5.403 2.472 1.00 0.00 O ATOM 0 H SER A 62 -12.635 -2.697 3.075 1.00 0.00 H new ATOM 0 HA SER A 62 -13.046 -4.682 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.383 -5.483 3.202 1.00 0.00 H new ATOM 0 HB3 SER A 62 -14.300 -4.065 3.670 1.00 0.00 H new ATOM 0 HG SER A 62 -15.473 -5.262 1.517 1.00 0.00 H new ATOM 983 N ARG A 63 -14.445 -1.924 0.772 1.00 0.00 N ATOM 984 CA ARG A 63 -15.428 -1.098 0.081 1.00 0.00 C ATOM 985 C ARG A 63 -14.972 -0.786 -1.342 1.00 0.00 C ATOM 986 O ARG A 63 -13.777 -0.654 -1.606 1.00 0.00 O ATOM 987 CB ARG A 63 -15.662 0.204 0.850 1.00 0.00 C ATOM 988 CG ARG A 63 -16.029 -0.009 2.310 1.00 0.00 C ATOM 989 CD ARG A 63 -17.444 -0.547 2.456 1.00 0.00 C ATOM 990 NE ARG A 63 -17.483 -2.006 2.401 1.00 0.00 N ATOM 991 CZ ARG A 63 -18.609 -2.709 2.361 1.00 0.00 C ATOM 992 NH1 ARG A 63 -19.782 -2.091 2.368 1.00 0.00 N ATOM 993 NH2 ARG A 63 -18.563 -4.035 2.312 1.00 0.00 N ATOM 0 H ARG A 63 -13.635 -1.412 1.121 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.363 -1.656 0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.761 0.815 0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.458 0.766 0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.325 -0.705 2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -15.939 0.934 2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.865 -0.209 3.403 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -18.071 -0.137 1.664 1.00 0.00 H new ATOM 0 HE ARG A 63 -16.598 -2.512 2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -19.822 -1.072 2.404 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -20.645 -2.634 2.337 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -17.663 -4.514 2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -19.428 -4.575 2.281 1.00 0.00 H new ATOM 1007 N ALA A 64 -15.932 -0.670 -2.253 1.00 0.00 N ATOM 1008 CA ALA A 64 -15.630 -0.372 -3.647 1.00 0.00 C ATOM 1009 C ALA A 64 -14.930 0.976 -3.782 1.00 0.00 C ATOM 1010 O ALA A 64 -15.073 1.864 -2.940 1.00 0.00 O ATOM 1011 CB ALA A 64 -16.903 -0.392 -4.480 1.00 0.00 C ATOM 0 H ALA A 64 -16.926 -0.778 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.954 -1.142 -4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.662 -0.168 -5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.362 -1.379 -4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.599 0.356 -4.100 1.00 0.00 H new ATOM 1017 N PRO A 65 -14.154 1.136 -4.864 1.00 0.00 N ATOM 1018 CA PRO A 65 -13.976 0.086 -5.872 1.00 0.00 C ATOM 1019 C PRO A 65 -13.166 -1.093 -5.344 1.00 0.00 C ATOM 1020 O PRO A 65 -13.371 -2.234 -5.759 1.00 0.00 O ATOM 1021 CB PRO A 65 -13.215 0.798 -6.994 1.00 0.00 C ATOM 1022 CG PRO A 65 -12.500 1.915 -6.317 1.00 0.00 C ATOM 1023 CD PRO A 65 -13.390 2.352 -5.186 1.00 0.00 C ATOM 0 HA PRO A 65 -14.927 -0.342 -6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.517 0.123 -7.489 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.896 1.170 -7.760 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.529 1.588 -5.945 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.316 2.737 -7.009 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.811 2.701 -4.331 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.045 3.171 -5.483 1.00 0.00 H new ATOM 1031 N TYR A 66 -12.247 -0.811 -4.428 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.405 -1.849 -3.844 1.00 0.00 C ATOM 1033 C TYR A 66 -12.207 -3.121 -3.588 1.00 0.00 C ATOM 1034 O TYR A 66 -11.776 -4.222 -3.932 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.781 -1.355 -2.538 1.00 0.00 C ATOM 1036 CG TYR A 66 -10.491 0.129 -2.529 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -9.704 0.709 -3.517 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -11.002 0.951 -1.533 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -9.436 2.064 -3.513 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -10.740 2.308 -1.521 1.00 0.00 C ATOM 1041 CZ TYR A 66 -9.956 2.859 -2.513 1.00 0.00 C ATOM 1042 OH TYR A 66 -9.691 4.210 -2.504 1.00 0.00 O ATOM 0 H TYR A 66 -12.066 0.128 -4.073 1.00 0.00 H new ATOM 0 HA TYR A 66 -10.611 -2.078 -4.554 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.453 -1.590 -1.712 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.853 -1.899 -2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.295 0.089 -4.301 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -11.615 0.522 -0.754 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.823 2.499 -4.289 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -11.147 2.933 -0.740 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.133 4.625 -1.734 1.00 0.00 H new ATOM 1052 N THR A 67 -13.380 -2.962 -2.982 1.00 0.00 N ATOM 1053 CA THR A 67 -14.243 -4.096 -2.679 1.00 0.00 C ATOM 1054 C THR A 67 -13.424 -5.339 -2.354 1.00 0.00 C ATOM 1055 O THR A 67 -13.820 -6.458 -2.683 1.00 0.00 O ATOM 1056 CB THR A 67 -15.190 -4.410 -3.852 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.189 -5.349 -3.438 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.417 -4.974 -5.035 1.00 0.00 C ATOM 0 H THR A 67 -13.754 -2.058 -2.692 1.00 0.00 H new ATOM 0 HA THR A 67 -14.836 -3.818 -1.808 1.00 0.00 H new ATOM 0 HB THR A 67 -15.670 -3.481 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.758 -6.117 -3.008 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.107 -5.188 -5.851 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.677 -4.246 -5.367 1.00 0.00 H new ATOM 0 HG23 THR A 67 -13.913 -5.893 -4.735 1.00 0.00 H new ATOM 1066 N ILE A 68 -12.282 -5.137 -1.706 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.408 -6.244 -1.335 1.00 0.00 C ATOM 1068 C ILE A 68 -12.186 -7.342 -0.619 1.00 0.00 C ATOM 1069 O ILE A 68 -12.269 -7.358 0.609 1.00 0.00 O ATOM 1070 CB ILE A 68 -10.256 -5.772 -0.429 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -9.435 -4.690 -1.133 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.372 -6.947 -0.041 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -8.378 -4.063 -0.250 1.00 0.00 C ATOM 0 H ILE A 68 -11.940 -4.218 -1.427 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.992 -6.642 -2.261 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.680 -5.346 0.480 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.954 -5.123 -2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.107 -3.910 -1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.562 -6.597 0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.965 -7.687 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.954 -7.400 -0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.835 -3.305 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.854 -3.600 0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.683 -4.832 0.087 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.754 -8.260 -1.395 1.00 0.00 N ATOM 1086 CA GLU A 69 -13.524 -9.364 -0.834 1.00 0.00 C ATOM 1087 C GLU A 69 -12.602 -10.456 -0.301 1.00 0.00 C ATOM 1088 O GLU A 69 -12.977 -11.223 0.585 1.00 0.00 O ATOM 1089 CB GLU A 69 -14.466 -9.947 -1.890 1.00 0.00 C ATOM 1090 CG GLU A 69 -15.303 -8.899 -2.604 1.00 0.00 C ATOM 1091 CD GLU A 69 -16.623 -9.450 -3.106 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -16.603 -10.296 -4.023 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -17.677 -9.034 -2.580 1.00 0.00 O ATOM 0 H GLU A 69 -12.695 -8.261 -2.413 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.115 -8.976 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.878 -10.494 -2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.131 -10.668 -1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.495 -8.068 -1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.737 -8.499 -3.445 1.00 0.00 H new ATOM 1100 N ASN A 70 -11.392 -10.520 -0.848 1.00 0.00 N ATOM 1101 CA ASN A 70 -10.415 -11.519 -0.429 1.00 0.00 C ATOM 1102 C ASN A 70 -9.603 -11.019 0.761 1.00 0.00 C ATOM 1103 O ASN A 70 -8.579 -10.356 0.593 1.00 0.00 O ATOM 1104 CB ASN A 70 -9.480 -11.866 -1.589 1.00 0.00 C ATOM 1105 CG ASN A 70 -8.908 -13.266 -1.472 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -9.499 -14.139 -0.836 1.00 0.00 O ATOM 1107 ND2 ASN A 70 -7.751 -13.485 -2.085 1.00 0.00 N ATOM 0 H ASN A 70 -11.065 -9.892 -1.582 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.956 -12.416 -0.126 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.024 -11.776 -2.530 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.664 -11.145 -1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.316 -14.407 -2.040 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.297 -12.732 -2.601 1.00 0.00 H new ATOM 1114 N SER A 71 -10.066 -11.342 1.965 1.00 0.00 N ATOM 1115 CA SER A 71 -9.384 -10.923 3.184 1.00 0.00 C ATOM 1116 C SER A 71 -7.870 -10.996 3.012 1.00 0.00 C ATOM 1117 O SER A 71 -7.146 -10.078 3.397 1.00 0.00 O ATOM 1118 CB SER A 71 -9.818 -11.798 4.362 1.00 0.00 C ATOM 1119 OG SER A 71 -9.298 -11.303 5.583 1.00 0.00 O ATOM 0 H SER A 71 -10.910 -11.892 2.122 1.00 0.00 H new ATOM 0 HA SER A 71 -9.659 -9.888 3.388 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.906 -11.831 4.413 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.475 -12.821 4.205 1.00 0.00 H new ATOM 0 HG SER A 71 -9.591 -11.878 6.320 1.00 0.00 H new ATOM 1125 N SER A 72 -7.399 -12.095 2.431 1.00 0.00 N ATOM 1126 CA SER A 72 -5.971 -12.291 2.211 1.00 0.00 C ATOM 1127 C SER A 72 -5.284 -10.967 1.890 1.00 0.00 C ATOM 1128 O SER A 72 -4.249 -10.635 2.469 1.00 0.00 O ATOM 1129 CB SER A 72 -5.741 -13.286 1.072 1.00 0.00 C ATOM 1130 OG SER A 72 -4.367 -13.609 0.947 1.00 0.00 O ATOM 0 H SER A 72 -7.985 -12.863 2.104 1.00 0.00 H new ATOM 0 HA SER A 72 -5.539 -12.692 3.128 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.316 -14.194 1.256 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.105 -12.863 0.136 1.00 0.00 H new ATOM 0 HG SER A 72 -4.246 -14.248 0.213 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.868 -10.213 0.964 1.00 0.00 N ATOM 1137 CA HIS A 73 -5.314 -8.924 0.566 1.00 0.00 C ATOM 1138 C HIS A 73 -5.141 -8.010 1.775 1.00 0.00 C ATOM 1139 O HIS A 73 -4.038 -7.542 2.059 1.00 0.00 O ATOM 1140 CB HIS A 73 -6.218 -8.254 -0.469 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.574 -7.095 -1.166 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -6.279 -5.993 -1.601 1.00 0.00 N ATOM 1143 CD2 HIS A 73 -4.282 -6.869 -1.500 1.00 0.00 C ATOM 1144 CE1 HIS A 73 -5.449 -5.140 -2.174 1.00 0.00 C ATOM 1145 NE2 HIS A 73 -4.231 -5.648 -2.126 1.00 0.00 N ATOM 0 H HIS A 73 -6.725 -10.473 0.475 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.334 -9.099 0.122 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.516 -8.994 -1.212 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.128 -7.911 0.023 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.447 -7.527 -1.310 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.720 -4.189 -2.608 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.389 -5.205 -2.494 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.237 -7.760 2.483 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.207 -6.901 3.661 1.00 0.00 C ATOM 1156 C ARG A 74 -5.120 -7.348 4.633 1.00 0.00 C ATOM 1157 O ARG A 74 -4.329 -6.536 5.112 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.568 -6.910 4.360 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.619 -6.064 3.660 1.00 0.00 C ATOM 1160 CD ARG A 74 -9.911 -6.008 4.460 1.00 0.00 C ATOM 1161 NE ARG A 74 -10.415 -7.341 4.780 1.00 0.00 N ATOM 1162 CZ ARG A 74 -11.649 -7.575 5.212 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -12.501 -6.572 5.374 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -12.034 -8.816 5.483 1.00 0.00 N ATOM 0 H ARG A 74 -7.157 -8.140 2.262 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.981 -5.886 3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.926 -7.937 4.426 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.445 -6.549 5.381 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.236 -5.054 3.513 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.820 -6.476 2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.742 -5.453 5.383 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.665 -5.462 3.893 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.785 -8.135 4.666 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.210 -5.617 5.167 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.448 -6.756 5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.382 -9.591 5.360 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.982 -8.995 5.815 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.087 -8.645 4.920 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.099 -9.201 5.836 1.00 0.00 C ATOM 1180 C ARG A 75 -2.685 -8.809 5.413 1.00 0.00 C ATOM 1181 O ARG A 75 -1.869 -8.403 6.240 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.222 -10.725 5.891 1.00 0.00 C ATOM 1183 CG ARG A 75 -3.563 -11.345 7.112 1.00 0.00 C ATOM 1184 CD ARG A 75 -2.106 -11.688 6.845 1.00 0.00 C ATOM 1185 NE ARG A 75 -1.434 -12.191 8.040 1.00 0.00 N ATOM 1186 CZ ARG A 75 -0.114 -12.294 8.152 1.00 0.00 C ATOM 1187 NH1 ARG A 75 0.671 -11.931 7.147 1.00 0.00 N ATOM 1188 NH2 ARG A 75 0.423 -12.762 9.272 1.00 0.00 N ATOM 0 H ARG A 75 -5.734 -9.331 4.531 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.290 -8.793 6.828 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.278 -10.997 5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.775 -11.150 4.992 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.627 -10.653 7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.103 -12.247 7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.049 -12.437 6.055 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.586 -10.802 6.483 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.009 -12.479 8.832 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.262 -11.571 6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.684 -12.011 7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.178 -13.043 10.047 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.436 -12.841 9.358 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.404 -8.935 4.121 1.00 0.00 N ATOM 1203 CA VAL A 76 -1.090 -8.594 3.588 1.00 0.00 C ATOM 1204 C VAL A 76 -0.845 -7.090 3.649 1.00 0.00 C ATOM 1205 O VAL A 76 0.100 -6.631 4.290 1.00 0.00 O ATOM 1206 CB VAL A 76 -0.935 -9.069 2.131 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.471 -8.786 1.624 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -1.264 -10.550 2.016 1.00 0.00 C ATOM 0 H VAL A 76 -3.068 -9.271 3.423 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.354 -9.105 4.210 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.638 -8.515 1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.562 -9.128 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.665 -7.714 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.195 -9.312 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.149 -10.869 0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.587 -11.123 2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.292 -10.720 2.336 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.704 -6.329 2.979 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.582 -4.877 2.960 1.00 0.00 C ATOM 1220 C ILE A 77 -1.404 -4.321 4.368 1.00 0.00 C ATOM 1221 O ILE A 77 -0.363 -3.748 4.695 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.813 -4.217 2.311 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.791 -4.423 0.796 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.859 -2.734 2.649 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -4.105 -4.095 0.122 1.00 0.00 C ATOM 0 H ILE A 77 -2.491 -6.694 2.443 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.699 -4.643 2.366 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.711 -4.689 2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.006 -3.802 0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.531 -5.460 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.734 -2.282 2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.918 -2.609 3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.958 -2.248 2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.016 -4.264 -0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.891 -4.734 0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.357 -3.050 0.305 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.425 -4.494 5.200 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.381 -4.011 6.576 1.00 0.00 C ATOM 1239 C LEU A 78 -1.091 -4.446 7.265 1.00 0.00 C ATOM 1240 O LEU A 78 -0.209 -3.629 7.529 1.00 0.00 O ATOM 1241 CB LEU A 78 -3.589 -4.529 7.358 1.00 0.00 C ATOM 1242 CG LEU A 78 -4.863 -3.688 7.259 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -5.339 -3.607 5.817 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -5.953 -4.265 8.151 1.00 0.00 C ATOM 0 H LEU A 78 -3.293 -4.965 4.946 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.410 -2.922 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.815 -5.538 7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.310 -4.608 8.409 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.637 -2.678 7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.246 -3.005 5.767 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.564 -3.148 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.548 -4.610 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.852 -3.654 8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.177 -5.285 7.838 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.612 -4.270 9.186 1.00 0.00 H new ATOM 1256 N THR A 79 -0.987 -5.740 7.552 1.00 0.00 N ATOM 1257 CA THR A 79 0.195 -6.284 8.209 1.00 0.00 C ATOM 1258 C THR A 79 1.461 -5.578 7.736 1.00 0.00 C ATOM 1259 O THR A 79 2.161 -4.947 8.527 1.00 0.00 O ATOM 1260 CB THR A 79 0.337 -7.796 7.948 1.00 0.00 C ATOM 1261 OG1 THR A 79 -0.812 -8.489 8.449 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.593 -8.343 8.608 1.00 0.00 C ATOM 0 H THR A 79 -1.707 -6.431 7.340 1.00 0.00 H new ATOM 0 HA THR A 79 0.067 -6.117 9.279 1.00 0.00 H new ATOM 0 HB THR A 79 0.414 -7.951 6.872 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.382 -8.762 7.700 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.672 -9.412 8.410 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.468 -7.834 8.204 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.541 -8.176 9.684 1.00 0.00 H new ATOM 1270 N GLU A 80 1.747 -5.689 6.443 1.00 0.00 N ATOM 1271 CA GLU A 80 2.930 -5.060 5.867 1.00 0.00 C ATOM 1272 C GLU A 80 2.952 -3.564 6.168 1.00 0.00 C ATOM 1273 O GLU A 80 4.008 -2.989 6.434 1.00 0.00 O ATOM 1274 CB GLU A 80 2.970 -5.288 4.354 1.00 0.00 C ATOM 1275 CG GLU A 80 3.306 -6.717 3.962 1.00 0.00 C ATOM 1276 CD GLU A 80 4.796 -6.943 3.800 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.520 -5.958 3.541 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.239 -8.103 3.933 1.00 0.00 O ATOM 0 H GLU A 80 1.177 -6.208 5.775 1.00 0.00 H new ATOM 0 HA GLU A 80 3.810 -5.517 6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.002 -5.022 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.707 -4.617 3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.919 -7.398 4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.802 -6.961 3.027 1.00 0.00 H new ATOM 1285 N LEU A 81 1.780 -2.941 6.123 1.00 0.00 N ATOM 1286 CA LEU A 81 1.663 -1.511 6.390 1.00 0.00 C ATOM 1287 C LEU A 81 2.053 -1.193 7.830 1.00 0.00 C ATOM 1288 O LEU A 81 2.739 -0.205 8.093 1.00 0.00 O ATOM 1289 CB LEU A 81 0.234 -1.037 6.120 1.00 0.00 C ATOM 1290 CG LEU A 81 0.079 0.432 5.724 1.00 0.00 C ATOM 1291 CD1 LEU A 81 0.545 0.651 4.293 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -1.367 0.878 5.890 1.00 0.00 C ATOM 0 H LEU A 81 0.897 -3.403 5.904 1.00 0.00 H new ATOM 0 HA LEU A 81 2.346 -0.984 5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.188 -1.653 5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.362 -1.217 7.014 1.00 0.00 H new ATOM 0 HG LEU A 81 0.703 1.035 6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.427 1.702 4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.595 0.370 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.052 0.038 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.460 1.926 5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.011 0.270 5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.668 0.758 6.931 1.00 0.00 H new ATOM 1304 N GLU A 82 1.613 -2.038 8.758 1.00 0.00 N ATOM 1305 CA GLU A 82 1.918 -1.846 10.171 1.00 0.00 C ATOM 1306 C GLU A 82 3.426 -1.784 10.399 1.00 0.00 C ATOM 1307 O GLU A 82 3.898 -1.106 11.311 1.00 0.00 O ATOM 1308 CB GLU A 82 1.312 -2.977 11.004 1.00 0.00 C ATOM 1309 CG GLU A 82 1.375 -2.731 12.502 1.00 0.00 C ATOM 1310 CD GLU A 82 0.191 -1.933 13.013 1.00 0.00 C ATOM 1311 OE1 GLU A 82 -0.418 -1.196 12.209 1.00 0.00 O ATOM 1312 OE2 GLU A 82 -0.125 -2.044 14.215 1.00 0.00 O ATOM 0 H GLU A 82 1.045 -2.861 8.557 1.00 0.00 H new ATOM 0 HA GLU A 82 1.481 -0.898 10.485 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.271 -3.116 10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.834 -3.906 10.775 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.415 -3.688 13.022 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.296 -2.200 12.741 1.00 0.00 H new ATOM 1319 N ARG A 83 4.174 -2.495 9.563 1.00 0.00 N ATOM 1320 CA ARG A 83 5.628 -2.523 9.673 1.00 0.00 C ATOM 1321 C ARG A 83 6.242 -1.260 9.077 1.00 0.00 C ATOM 1322 O ARG A 83 6.850 -0.458 9.787 1.00 0.00 O ATOM 1323 CB ARG A 83 6.191 -3.758 8.969 1.00 0.00 C ATOM 1324 CG ARG A 83 5.474 -5.048 9.335 1.00 0.00 C ATOM 1325 CD ARG A 83 6.358 -6.263 9.100 1.00 0.00 C ATOM 1326 NE ARG A 83 7.605 -6.187 9.858 1.00 0.00 N ATOM 1327 CZ ARG A 83 8.699 -6.871 9.543 1.00 0.00 C ATOM 1328 NH1 ARG A 83 8.700 -7.678 8.490 1.00 0.00 N ATOM 1329 NH2 ARG A 83 9.795 -6.749 10.281 1.00 0.00 N ATOM 0 H ARG A 83 3.798 -3.060 8.802 1.00 0.00 H new ATOM 0 HA ARG A 83 5.886 -2.568 10.731 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.129 -3.611 7.891 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.248 -3.857 9.217 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.172 -5.013 10.382 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.563 -5.140 8.743 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.816 -7.166 9.383 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.584 -6.347 8.037 1.00 0.00 H new ATOM 0 HE ARG A 83 7.637 -5.575 10.674 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.859 -7.774 7.920 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.541 -8.202 8.250 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.798 -6.129 11.091 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.635 -7.275 10.038 1.00 0.00 H new ATOM 1343 N VAL A 84 6.080 -1.090 7.769 1.00 0.00 N ATOM 1344 CA VAL A 84 6.618 0.075 7.077 1.00 0.00 C ATOM 1345 C VAL A 84 6.373 1.351 7.876 1.00 0.00 C ATOM 1346 O VAL A 84 7.268 2.183 8.024 1.00 0.00 O ATOM 1347 CB VAL A 84 5.997 0.233 5.676 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.600 -0.774 4.708 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.485 0.080 5.745 1.00 0.00 C ATOM 0 H VAL A 84 5.580 -1.744 7.167 1.00 0.00 H new ATOM 0 HA VAL A 84 7.691 -0.086 6.975 1.00 0.00 H new ATOM 0 HB VAL A 84 6.222 1.234 5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.149 -0.647 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.676 -0.612 4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.408 -1.785 5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.062 0.194 4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.237 -0.908 6.133 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.072 0.844 6.404 1.00 0.00 H new ATOM 1359 N ARG A 85 5.156 1.496 8.389 1.00 0.00 N ATOM 1360 CA ARG A 85 4.793 2.671 9.173 1.00 0.00 C ATOM 1361 C ARG A 85 5.569 2.709 10.486 1.00 0.00 C ATOM 1362 O ARG A 85 5.955 3.778 10.960 1.00 0.00 O ATOM 1363 CB ARG A 85 3.290 2.676 9.456 1.00 0.00 C ATOM 1364 CG ARG A 85 2.867 1.676 10.520 1.00 0.00 C ATOM 1365 CD ARG A 85 1.459 1.957 11.020 1.00 0.00 C ATOM 1366 NE ARG A 85 1.416 3.108 11.918 1.00 0.00 N ATOM 1367 CZ ARG A 85 0.319 3.821 12.149 1.00 0.00 C ATOM 1368 NH1 ARG A 85 -0.820 3.502 11.551 1.00 0.00 N ATOM 1369 NH2 ARG A 85 0.360 4.854 12.980 1.00 0.00 N ATOM 0 H ARG A 85 4.405 0.815 8.276 1.00 0.00 H new ATOM 0 HA ARG A 85 5.050 3.558 8.593 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.991 3.676 9.770 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.754 2.459 8.532 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.915 0.667 10.112 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.566 1.715 11.356 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.801 2.136 10.169 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.077 1.078 11.539 1.00 0.00 H new ATOM 0 HE ARG A 85 2.276 3.380 12.394 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.856 2.708 10.912 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.661 4.051 11.730 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.235 5.102 13.443 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.483 5.400 13.156 1.00 0.00 H new