USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 25 SER OG : rot 180:sc= -2.09! USER MOD Set 1.2: B 43 THR OG1 : rot 180:sc= -4.18! USER MOD Set 2.1: A 27 SER OG : rot -61:sc= 1.41! USER MOD Set 2.2: B 27 SER OG : rot -55:sc= 1.64 USER MOD Set 3.1: A 25 SER OG : rot 180:sc= -2.12! USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= -4.14! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00096 USER MOD Single : A 21 LYS NZ :NH3+ -150:sc= -0.0685 (180deg=-1.15!) USER MOD Single : A 22 ASN : amide:sc= -6.44! C(o=-6.4!,f=-7.4!) USER MOD Single : A 24 GLN : amide:sc= -2.87! K(o=-2.9!,f=-2.2) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.497 USER MOD Single : A 38 THR OG1 : rot 38:sc= 0.756 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.022) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot -146:sc= -0.925! USER MOD Single : A 60 GLN : amide:sc= -5.68! C(o=-5.7!,f=-11!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.295 K(o=-0.3,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : B 21 LYS NZ :NH3+ -152:sc= -0.0373 (180deg=-1.29!) USER MOD Single : B 22 ASN : amide:sc= -6.27! C(o=-6.3!,f=-7.4!) USER MOD Single : B 24 GLN : amide:sc= -2.83! K(o=-2.8!,f=-2.2) USER MOD Single : B 29 THR OG1 : rot 180:sc= -0.489 USER MOD Single : B 38 THR OG1 : rot 14:sc= 0.789 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.022) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 CYS SG : rot -145:sc= -0.797! USER MOD Single : B 60 GLN : amide:sc= -5.58! C(o=-5.6!,f=-11!) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 GLN : amide:sc= -0.277 K(o=-0.28,f=-1.3) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 15.677 -5.826 3.896 1.00 0.00 N ATOM 178 CA LYS A 13 15.482 -6.175 2.461 1.00 0.00 C ATOM 179 C LYS A 13 13.994 -6.114 2.112 1.00 0.00 C ATOM 180 O LYS A 13 13.191 -5.601 2.866 1.00 0.00 O ATOM 181 CB LYS A 13 16.004 -7.603 2.323 1.00 0.00 C ATOM 182 CG LYS A 13 17.421 -7.579 1.749 1.00 0.00 C ATOM 183 CD LYS A 13 17.810 -8.984 1.286 1.00 0.00 C ATOM 184 CE LYS A 13 17.563 -9.114 -0.218 1.00 0.00 C ATOM 185 NZ LYS A 13 18.352 -10.306 -0.636 1.00 0.00 N ATOM 0 HA LYS A 13 16.001 -5.489 1.792 1.00 0.00 H new ATOM 0 HB2 LYS A 13 16.003 -8.097 3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.347 -8.180 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.474 -6.882 0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 13 18.124 -7.226 2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 13 18.859 -9.174 1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.228 -9.730 1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.503 -9.247 -0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 13 17.887 -8.220 -0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 18.233 -10.460 -1.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 19.358 -10.148 -0.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 18.017 -11.143 -0.118 1.00 0.00 H new ATOM 199 N THR A 14 13.621 -6.636 0.978 1.00 0.00 N ATOM 200 CA THR A 14 12.189 -6.610 0.580 1.00 0.00 C ATOM 201 C THR A 14 11.915 -7.704 -0.453 1.00 0.00 C ATOM 202 O THR A 14 12.816 -8.198 -1.101 1.00 0.00 O ATOM 203 CB THR A 14 11.982 -5.234 -0.041 1.00 0.00 C ATOM 204 OG1 THR A 14 13.240 -4.690 -0.416 1.00 0.00 O ATOM 205 CG2 THR A 14 11.303 -4.309 0.969 1.00 0.00 C ATOM 0 H THR A 14 14.249 -7.081 0.308 1.00 0.00 H new ATOM 0 HA THR A 14 11.519 -6.786 1.422 1.00 0.00 H new ATOM 0 HB THR A 14 11.349 -5.327 -0.923 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.108 -3.806 -0.817 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.157 -3.326 0.521 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.337 -4.726 1.252 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.931 -4.214 1.855 1.00 0.00 H new ATOM 213 N LEU A 15 10.680 -8.085 -0.615 1.00 0.00 N ATOM 214 CA LEU A 15 10.353 -9.144 -1.603 1.00 0.00 C ATOM 215 C LEU A 15 9.613 -8.540 -2.798 1.00 0.00 C ATOM 216 O LEU A 15 8.896 -7.571 -2.661 1.00 0.00 O ATOM 217 CB LEU A 15 9.449 -10.106 -0.843 1.00 0.00 C ATOM 218 CG LEU A 15 10.215 -10.695 0.340 1.00 0.00 C ATOM 219 CD1 LEU A 15 10.228 -9.692 1.495 1.00 0.00 C ATOM 220 CD2 LEU A 15 9.529 -11.982 0.794 1.00 0.00 C ATOM 0 H LEU A 15 9.882 -7.707 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 15 11.240 -9.637 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.559 -9.585 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.110 -10.903 -1.504 1.00 0.00 H new ATOM 0 HG LEU A 15 11.240 -10.911 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.775 -10.115 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.714 -8.771 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.204 -9.474 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.073 -12.406 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.505 -11.762 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.519 -12.698 -0.027 1.00 0.00 H new ATOM 232 N PRO A 16 9.818 -9.141 -3.936 1.00 0.00 N ATOM 233 CA PRO A 16 9.170 -8.668 -5.176 1.00 0.00 C ATOM 234 C PRO A 16 7.753 -9.233 -5.273 1.00 0.00 C ATOM 235 O PRO A 16 6.951 -8.793 -6.068 1.00 0.00 O ATOM 236 CB PRO A 16 10.056 -9.243 -6.275 1.00 0.00 C ATOM 237 CG PRO A 16 10.710 -10.452 -5.674 1.00 0.00 C ATOM 238 CD PRO A 16 10.667 -10.310 -4.172 1.00 0.00 C ATOM 0 HA PRO A 16 9.075 -7.584 -5.232 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.468 -9.511 -7.153 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.800 -8.515 -6.600 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.192 -11.359 -5.986 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.740 -10.538 -6.019 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.253 -11.202 -3.701 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.665 -10.165 -3.759 1.00 0.00 H new ATOM 246 N ARG A 17 7.444 -10.212 -4.473 1.00 0.00 N ATOM 247 CA ARG A 17 6.088 -10.818 -4.518 1.00 0.00 C ATOM 248 C ARG A 17 5.894 -11.728 -3.304 1.00 0.00 C ATOM 249 O ARG A 17 5.858 -12.937 -3.419 1.00 0.00 O ATOM 250 CB ARG A 17 6.073 -11.634 -5.812 1.00 0.00 C ATOM 251 CG ARG A 17 4.817 -12.502 -5.857 1.00 0.00 C ATOM 252 CD ARG A 17 5.140 -13.837 -6.532 1.00 0.00 C ATOM 253 NE ARG A 17 3.848 -14.295 -7.114 1.00 0.00 N ATOM 254 CZ ARG A 17 3.842 -15.169 -8.084 1.00 0.00 C ATOM 255 NH1 ARG A 17 4.619 -16.215 -8.025 1.00 0.00 N ATOM 256 NH2 ARG A 17 3.059 -14.995 -9.113 1.00 0.00 N ATOM 0 H ARG A 17 8.077 -10.621 -3.786 1.00 0.00 H new ATOM 0 HA ARG A 17 5.289 -10.076 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.098 -10.968 -6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.963 -12.261 -5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.445 -12.674 -4.847 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.027 -11.988 -6.404 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.900 -13.716 -7.304 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.528 -14.559 -5.814 1.00 0.00 H new ATOM 0 HE ARG A 17 2.968 -13.926 -6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.232 -16.350 -7.221 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.614 -16.897 -8.783 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.452 -14.177 -9.159 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.054 -15.677 -9.871 1.00 0.00 H new ATOM 270 N VAL A 18 5.767 -11.152 -2.141 1.00 0.00 N ATOM 271 CA VAL A 18 5.567 -11.985 -0.915 1.00 0.00 C ATOM 272 C VAL A 18 4.483 -13.024 -1.183 1.00 0.00 C ATOM 273 O VAL A 18 3.948 -13.091 -2.267 1.00 0.00 O ATOM 274 CB VAL A 18 5.114 -11.000 0.163 1.00 0.00 C ATOM 275 CG1 VAL A 18 5.195 -11.673 1.530 1.00 0.00 C ATOM 276 CG2 VAL A 18 6.024 -9.771 0.152 1.00 0.00 C ATOM 0 H VAL A 18 5.792 -10.145 -1.983 1.00 0.00 H new ATOM 0 HA VAL A 18 6.468 -12.521 -0.616 1.00 0.00 H new ATOM 0 HB VAL A 18 4.087 -10.694 -0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.872 -10.972 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.548 -12.550 1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.223 -11.978 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.699 -9.071 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.051 -10.077 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.972 -9.288 -0.824 1.00 0.00 H new ATOM 286 N ASP A 19 4.139 -13.827 -0.209 1.00 0.00 N ATOM 287 CA ASP A 19 3.073 -14.836 -0.432 1.00 0.00 C ATOM 288 C ASP A 19 1.872 -14.120 -1.051 1.00 0.00 C ATOM 289 O ASP A 19 0.839 -13.940 -0.438 1.00 0.00 O ATOM 290 CB ASP A 19 2.762 -15.365 0.962 1.00 0.00 C ATOM 291 CG ASP A 19 1.840 -16.580 0.862 1.00 0.00 C ATOM 292 OD1 ASP A 19 1.706 -17.108 -0.230 1.00 0.00 O ATOM 293 OD2 ASP A 19 1.283 -16.962 1.878 1.00 0.00 O ATOM 0 H ASP A 19 4.550 -13.824 0.724 1.00 0.00 H new ATOM 0 HA ASP A 19 3.349 -15.649 -1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.686 -15.639 1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.288 -14.586 1.559 1.00 0.00 H new ATOM 298 N PHE A 20 2.049 -13.670 -2.257 1.00 0.00 N ATOM 299 CA PHE A 20 0.998 -12.907 -2.973 1.00 0.00 C ATOM 300 C PHE A 20 -0.409 -13.409 -2.680 1.00 0.00 C ATOM 301 O PHE A 20 -1.155 -12.789 -1.951 1.00 0.00 O ATOM 302 CB PHE A 20 1.335 -13.091 -4.446 1.00 0.00 C ATOM 303 CG PHE A 20 1.245 -11.754 -5.109 1.00 0.00 C ATOM 304 CD1 PHE A 20 2.362 -10.917 -5.148 1.00 0.00 C ATOM 305 CD2 PHE A 20 0.034 -11.341 -5.660 1.00 0.00 C ATOM 306 CE1 PHE A 20 2.269 -9.663 -5.749 1.00 0.00 C ATOM 307 CE2 PHE A 20 -0.066 -10.090 -6.256 1.00 0.00 C ATOM 308 CZ PHE A 20 1.056 -9.246 -6.303 1.00 0.00 C ATOM 0 H PHE A 20 2.907 -13.805 -2.792 1.00 0.00 H new ATOM 0 HA PHE A 20 0.992 -11.864 -2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.336 -13.506 -4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.644 -13.794 -4.910 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.296 -11.241 -4.713 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.826 -11.993 -5.624 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.132 -9.015 -5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.004 -9.767 -6.682 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.981 -8.274 -6.768 1.00 0.00 H new ATOM 318 N LYS A 21 -0.797 -14.498 -3.263 1.00 0.00 N ATOM 319 CA LYS A 21 -2.176 -14.992 -3.032 1.00 0.00 C ATOM 320 C LYS A 21 -2.552 -14.822 -1.554 1.00 0.00 C ATOM 321 O LYS A 21 -3.712 -14.711 -1.208 1.00 0.00 O ATOM 322 CB LYS A 21 -2.149 -16.470 -3.423 1.00 0.00 C ATOM 323 CG LYS A 21 -2.300 -16.601 -4.939 1.00 0.00 C ATOM 324 CD LYS A 21 -2.296 -18.081 -5.327 1.00 0.00 C ATOM 325 CE LYS A 21 -1.592 -18.255 -6.675 1.00 0.00 C ATOM 326 NZ LYS A 21 -2.238 -17.259 -7.576 1.00 0.00 N ATOM 0 H LYS A 21 -0.225 -15.067 -3.887 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.916 -14.442 -3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.213 -16.925 -3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.954 -17.005 -2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.228 -16.131 -5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.486 -16.080 -5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.788 -18.667 -4.561 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.318 -18.454 -5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.521 -18.073 -6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.713 -19.269 -7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.220 -17.612 -8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.224 -17.111 -7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.722 -16.358 -7.524 1.00 0.00 H new ATOM 340 N ASN A 22 -1.578 -14.795 -0.681 1.00 0.00 N ATOM 341 CA ASN A 22 -1.872 -14.627 0.766 1.00 0.00 C ATOM 342 C ASN A 22 -1.891 -13.146 1.134 1.00 0.00 C ATOM 343 O ASN A 22 -2.529 -12.739 2.085 1.00 0.00 O ATOM 344 CB ASN A 22 -0.718 -15.319 1.475 1.00 0.00 C ATOM 345 CG ASN A 22 -1.262 -16.308 2.508 1.00 0.00 C ATOM 346 OD1 ASN A 22 -2.336 -16.851 2.340 1.00 0.00 O ATOM 347 ND2 ASN A 22 -0.561 -16.567 3.578 1.00 0.00 N ATOM 0 H ASN A 22 -0.589 -14.883 -0.913 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.843 -15.041 1.040 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.095 -15.843 0.750 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.084 -14.580 1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.915 -17.225 4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.341 -16.112 3.720 1.00 0.00 H new ATOM 354 N ILE A 23 -1.179 -12.339 0.395 1.00 0.00 N ATOM 355 CA ILE A 23 -1.136 -10.885 0.704 1.00 0.00 C ATOM 356 C ILE A 23 -2.508 -10.403 1.189 1.00 0.00 C ATOM 357 O ILE A 23 -3.426 -10.218 0.414 1.00 0.00 O ATOM 358 CB ILE A 23 -0.736 -10.207 -0.615 1.00 0.00 C ATOM 359 CG1 ILE A 23 0.715 -9.736 -0.520 1.00 0.00 C ATOM 360 CG2 ILE A 23 -1.637 -9.003 -0.890 1.00 0.00 C ATOM 361 CD1 ILE A 23 1.618 -10.936 -0.241 1.00 0.00 C ATOM 0 H ILE A 23 -0.624 -12.627 -0.411 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.431 -10.649 1.501 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.845 -10.925 -1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.013 -9.250 -1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.818 -8.996 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.341 -8.534 -1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.673 -9.333 -0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.540 -8.283 -0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.654 -10.604 -0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.324 -11.402 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.522 -11.660 -1.050 1.00 0.00 H new ATOM 373 N GLN A 24 -2.651 -10.203 2.470 1.00 0.00 N ATOM 374 CA GLN A 24 -3.959 -9.733 3.012 1.00 0.00 C ATOM 375 C GLN A 24 -3.923 -8.220 3.240 1.00 0.00 C ATOM 376 O GLN A 24 -4.887 -7.624 3.676 1.00 0.00 O ATOM 377 CB GLN A 24 -4.129 -10.473 4.339 1.00 0.00 C ATOM 378 CG GLN A 24 -5.566 -10.308 4.836 1.00 0.00 C ATOM 379 CD GLN A 24 -5.633 -9.141 5.824 1.00 0.00 C ATOM 380 OE1 GLN A 24 -4.954 -9.145 6.831 1.00 0.00 O ATOM 381 NE2 GLN A 24 -6.429 -8.138 5.576 1.00 0.00 N ATOM 0 H GLN A 24 -1.919 -10.345 3.166 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.784 -9.931 2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.897 -11.530 4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.430 -10.081 5.078 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.234 -10.125 3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.903 -11.226 5.317 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.999 -8.136 4.730 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.482 -7.356 6.228 1.00 0.00 H new ATOM 390 N SER A 25 -2.818 -7.596 2.945 1.00 0.00 N ATOM 391 CA SER A 25 -2.718 -6.123 3.137 1.00 0.00 C ATOM 392 C SER A 25 -1.432 -5.598 2.494 1.00 0.00 C ATOM 393 O SER A 25 -0.471 -6.321 2.325 1.00 0.00 O ATOM 394 CB SER A 25 -2.686 -5.919 4.651 1.00 0.00 C ATOM 395 OG SER A 25 -1.340 -5.752 5.076 1.00 0.00 O ATOM 0 H SER A 25 -1.978 -8.043 2.578 1.00 0.00 H new ATOM 0 HA SER A 25 -3.547 -5.587 2.675 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.276 -5.044 4.924 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.134 -6.776 5.154 1.00 0.00 H new ATOM 0 HG SER A 25 -1.318 -5.620 6.047 1.00 0.00 H new ATOM 401 N LEU A 26 -1.409 -4.347 2.134 1.00 0.00 N ATOM 402 CA LEU A 26 -0.186 -3.777 1.499 1.00 0.00 C ATOM 403 C LEU A 26 0.160 -2.437 2.145 1.00 0.00 C ATOM 404 O LEU A 26 -0.662 -1.825 2.794 1.00 0.00 O ATOM 405 CB LEU A 26 -0.563 -3.575 0.030 1.00 0.00 C ATOM 406 CG LEU A 26 0.407 -4.349 -0.865 1.00 0.00 C ATOM 407 CD1 LEU A 26 1.847 -4.014 -0.471 1.00 0.00 C ATOM 408 CD2 LEU A 26 0.163 -5.849 -0.693 1.00 0.00 C ATOM 0 H LEU A 26 -2.183 -3.693 2.251 1.00 0.00 H new ATOM 0 HA LEU A 26 0.683 -4.425 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.583 -3.917 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.535 -2.514 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 26 0.246 -4.070 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.537 -4.566 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.018 -2.944 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.014 -4.293 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.852 -6.405 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.326 -6.127 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.863 -6.086 -0.976 1.00 0.00 H new ATOM 420 N SER A 27 1.367 -1.975 1.970 1.00 0.00 N ATOM 421 CA SER A 27 1.758 -0.668 2.568 1.00 0.00 C ATOM 422 C SER A 27 2.973 -0.099 1.828 1.00 0.00 C ATOM 423 O SER A 27 4.051 -0.654 1.870 1.00 0.00 O ATOM 424 CB SER A 27 2.105 -0.985 4.020 1.00 0.00 C ATOM 425 OG SER A 27 0.993 -0.672 4.847 1.00 0.00 O ATOM 0 H SER A 27 2.099 -2.446 1.439 1.00 0.00 H new ATOM 0 HA SER A 27 0.966 0.078 2.498 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.364 -2.039 4.122 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.978 -0.411 4.331 1.00 0.00 H new ATOM 0 HG SER A 27 0.788 0.283 4.771 1.00 0.00 H new ATOM 431 N VAL A 28 2.806 0.998 1.140 1.00 0.00 N ATOM 432 CA VAL A 28 3.956 1.580 0.389 1.00 0.00 C ATOM 433 C VAL A 28 4.429 2.884 1.038 1.00 0.00 C ATOM 434 O VAL A 28 3.666 3.811 1.227 1.00 0.00 O ATOM 435 CB VAL A 28 3.415 1.850 -1.014 1.00 0.00 C ATOM 436 CG1 VAL A 28 4.416 2.708 -1.790 1.00 0.00 C ATOM 437 CG2 VAL A 28 3.211 0.520 -1.744 1.00 0.00 C ATOM 0 H VAL A 28 1.929 1.514 1.065 1.00 0.00 H new ATOM 0 HA VAL A 28 4.815 0.909 0.380 1.00 0.00 H new ATOM 0 HB VAL A 28 2.464 2.377 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.031 2.901 -2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.564 3.654 -1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.367 2.181 -1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.825 0.710 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.163 -0.005 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.499 -0.093 -1.191 1.00 0.00 H new ATOM 447 N THR A 29 5.689 2.964 1.367 1.00 0.00 N ATOM 448 CA THR A 29 6.228 4.207 1.991 1.00 0.00 C ATOM 449 C THR A 29 7.503 4.636 1.260 1.00 0.00 C ATOM 450 O THR A 29 8.262 3.806 0.798 1.00 0.00 O ATOM 451 CB THR A 29 6.539 3.826 3.440 1.00 0.00 C ATOM 452 OG1 THR A 29 6.908 4.990 4.165 1.00 0.00 O ATOM 453 CG2 THR A 29 7.688 2.818 3.469 1.00 0.00 C ATOM 0 H THR A 29 6.372 2.219 1.230 1.00 0.00 H new ATOM 0 HA THR A 29 5.527 5.040 1.938 1.00 0.00 H new ATOM 0 HB THR A 29 5.656 3.379 3.896 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.106 4.748 5.094 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.909 2.547 4.502 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.403 1.925 2.913 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.573 3.262 3.013 1.00 0.00 H new ATOM 461 N PRO A 30 7.690 5.922 1.169 1.00 0.00 N ATOM 462 CA PRO A 30 8.880 6.469 0.474 1.00 0.00 C ATOM 463 C PRO A 30 10.149 6.241 1.300 1.00 0.00 C ATOM 464 O PRO A 30 10.092 5.741 2.406 1.00 0.00 O ATOM 465 CB PRO A 30 8.567 7.959 0.351 1.00 0.00 C ATOM 466 CG PRO A 30 7.601 8.244 1.457 1.00 0.00 C ATOM 467 CD PRO A 30 6.821 6.978 1.699 1.00 0.00 C ATOM 0 HA PRO A 30 9.066 5.994 -0.489 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.470 8.562 0.450 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.134 8.192 -0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.129 8.550 2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.934 9.062 1.185 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.616 6.832 2.759 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.859 6.998 1.188 1.00 0.00 H new ATOM 475 N PRO A 31 11.259 6.614 0.721 1.00 0.00 N ATOM 476 CA PRO A 31 12.572 6.449 1.396 1.00 0.00 C ATOM 477 C PRO A 31 12.711 7.432 2.561 1.00 0.00 C ATOM 478 O PRO A 31 11.740 7.979 3.045 1.00 0.00 O ATOM 479 CB PRO A 31 13.581 6.771 0.297 1.00 0.00 C ATOM 480 CG PRO A 31 12.840 7.645 -0.662 1.00 0.00 C ATOM 481 CD PRO A 31 11.396 7.222 -0.608 1.00 0.00 C ATOM 0 HA PRO A 31 12.708 5.455 1.822 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.456 7.281 0.701 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.938 5.863 -0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.946 8.695 -0.389 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.237 7.536 -1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.725 8.072 -0.730 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.157 6.512 -1.400 1.00 0.00 H new ATOM 564 N THR A 38 12.654 3.998 -1.537 1.00 0.00 N ATOM 565 CA THR A 38 11.219 3.673 -1.295 1.00 0.00 C ATOM 566 C THR A 38 11.090 2.210 -0.868 1.00 0.00 C ATOM 567 O THR A 38 11.877 1.370 -1.259 1.00 0.00 O ATOM 568 CB THR A 38 10.526 3.901 -2.639 1.00 0.00 C ATOM 569 OG1 THR A 38 11.325 4.757 -3.444 1.00 0.00 O ATOM 570 CG2 THR A 38 9.155 4.542 -2.413 1.00 0.00 C ATOM 0 HA THR A 38 10.779 4.283 -0.506 1.00 0.00 H new ATOM 0 HB THR A 38 10.395 2.944 -3.144 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.272 4.545 -3.307 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.666 4.702 -3.374 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.542 3.883 -1.799 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.280 5.498 -1.905 1.00 0.00 H new ATOM 578 N GLU A 39 10.112 1.894 -0.068 1.00 0.00 N ATOM 579 CA GLU A 39 9.952 0.483 0.378 1.00 0.00 C ATOM 580 C GLU A 39 8.470 0.127 0.513 1.00 0.00 C ATOM 581 O GLU A 39 7.630 0.986 0.695 1.00 0.00 O ATOM 582 CB GLU A 39 10.642 0.423 1.737 1.00 0.00 C ATOM 583 CG GLU A 39 11.207 -0.977 1.944 1.00 0.00 C ATOM 584 CD GLU A 39 11.088 -1.369 3.417 1.00 0.00 C ATOM 585 OE1 GLU A 39 10.994 -0.476 4.242 1.00 0.00 O ATOM 586 OE2 GLU A 39 11.091 -2.556 3.695 1.00 0.00 O ATOM 0 H GLU A 39 9.419 2.548 0.295 1.00 0.00 H new ATOM 0 HA GLU A 39 10.380 -0.224 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.441 1.163 1.787 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.934 0.665 2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.668 -1.692 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.251 -1.008 1.633 1.00 0.00 H new ATOM 593 N VAL A 40 8.141 -1.134 0.423 1.00 0.00 N ATOM 594 CA VAL A 40 6.710 -1.533 0.546 1.00 0.00 C ATOM 595 C VAL A 40 6.508 -2.453 1.752 1.00 0.00 C ATOM 596 O VAL A 40 7.449 -2.918 2.362 1.00 0.00 O ATOM 597 CB VAL A 40 6.395 -2.281 -0.748 1.00 0.00 C ATOM 598 CG1 VAL A 40 4.980 -2.859 -0.677 1.00 0.00 C ATOM 599 CG2 VAL A 40 6.486 -1.310 -1.923 1.00 0.00 C ATOM 0 H VAL A 40 8.797 -1.900 0.271 1.00 0.00 H new ATOM 0 HA VAL A 40 6.059 -0.671 0.694 1.00 0.00 H new ATOM 0 HB VAL A 40 7.110 -3.093 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.758 -3.392 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.910 -3.548 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.263 -2.049 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.262 -1.838 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.768 -0.502 -1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.493 -0.896 -1.976 1.00 0.00 H new ATOM 609 N ILE A 41 5.278 -2.719 2.089 1.00 0.00 N ATOM 610 CA ILE A 41 4.983 -3.610 3.244 1.00 0.00 C ATOM 611 C ILE A 41 3.707 -4.394 2.955 1.00 0.00 C ATOM 612 O ILE A 41 2.644 -3.830 2.793 1.00 0.00 O ATOM 613 CB ILE A 41 4.787 -2.666 4.429 1.00 0.00 C ATOM 614 CG1 ILE A 41 6.149 -2.306 5.027 1.00 0.00 C ATOM 615 CG2 ILE A 41 3.928 -3.348 5.496 1.00 0.00 C ATOM 616 CD1 ILE A 41 6.058 -0.946 5.720 1.00 0.00 C ATOM 0 H ILE A 41 4.456 -2.353 1.608 1.00 0.00 H new ATOM 0 HA ILE A 41 5.774 -4.334 3.440 1.00 0.00 H new ATOM 0 HB ILE A 41 4.287 -1.760 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.458 -3.070 5.741 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.906 -2.277 4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.791 -2.671 6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.956 -3.602 5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.424 -4.257 5.837 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.028 -0.689 6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.768 -0.186 4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.313 -0.992 6.515 1.00 0.00 H new ATOM 628 N ALA A 42 3.804 -5.686 2.866 1.00 0.00 N ATOM 629 CA ALA A 42 2.594 -6.493 2.560 1.00 0.00 C ATOM 630 C ALA A 42 2.358 -7.558 3.632 1.00 0.00 C ATOM 631 O ALA A 42 3.284 -8.161 4.138 1.00 0.00 O ATOM 632 CB ALA A 42 2.910 -7.153 1.220 1.00 0.00 C ATOM 0 H ALA A 42 4.665 -6.218 2.991 1.00 0.00 H new ATOM 0 HA ALA A 42 1.691 -5.883 2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.068 -7.773 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.088 -6.384 0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.800 -7.774 1.321 1.00 0.00 H new ATOM 638 N THR A 43 1.122 -7.808 3.960 1.00 0.00 N ATOM 639 CA THR A 43 0.816 -8.850 4.978 1.00 0.00 C ATOM 640 C THR A 43 0.186 -10.050 4.279 1.00 0.00 C ATOM 641 O THR A 43 -0.409 -9.919 3.232 1.00 0.00 O ATOM 642 CB THR A 43 -0.185 -8.203 5.938 1.00 0.00 C ATOM 643 OG1 THR A 43 0.458 -7.165 6.664 1.00 0.00 O ATOM 644 CG2 THR A 43 -0.715 -9.259 6.912 1.00 0.00 C ATOM 0 H THR A 43 0.309 -7.335 3.566 1.00 0.00 H new ATOM 0 HA THR A 43 1.703 -9.196 5.508 1.00 0.00 H new ATOM 0 HB THR A 43 -1.016 -7.786 5.370 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.183 -6.749 7.278 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.428 -8.798 7.596 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.210 -10.054 6.353 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.115 -9.678 7.481 1.00 0.00 H new ATOM 652 N LEU A 44 0.333 -11.219 4.828 1.00 0.00 N ATOM 653 CA LEU A 44 -0.238 -12.420 4.162 1.00 0.00 C ATOM 654 C LEU A 44 -1.444 -12.960 4.930 1.00 0.00 C ATOM 655 O LEU A 44 -1.773 -12.494 6.003 1.00 0.00 O ATOM 656 CB LEU A 44 0.899 -13.429 4.198 1.00 0.00 C ATOM 657 CG LEU A 44 2.150 -12.803 3.591 1.00 0.00 C ATOM 658 CD1 LEU A 44 3.285 -13.825 3.608 1.00 0.00 C ATOM 659 CD2 LEU A 44 1.857 -12.386 2.151 1.00 0.00 C ATOM 0 H LEU A 44 0.822 -11.396 5.706 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.592 -12.203 3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.095 -13.737 5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.622 -14.326 3.644 1.00 0.00 H new ATOM 0 HG LEU A 44 2.442 -11.927 4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.181 -13.381 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.489 -14.125 4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.996 -14.700 3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.749 -11.938 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.569 -13.262 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.044 -11.660 2.141 1.00 0.00 H new ATOM 671 N LYS A 45 -2.106 -13.942 4.381 1.00 0.00 N ATOM 672 CA LYS A 45 -3.295 -14.519 5.070 1.00 0.00 C ATOM 673 C LYS A 45 -2.857 -15.586 6.075 1.00 0.00 C ATOM 674 O LYS A 45 -2.381 -16.641 5.707 1.00 0.00 O ATOM 675 CB LYS A 45 -4.135 -15.146 3.958 1.00 0.00 C ATOM 676 CG LYS A 45 -5.400 -14.312 3.742 1.00 0.00 C ATOM 677 CD LYS A 45 -6.221 -14.288 5.033 1.00 0.00 C ATOM 678 CE LYS A 45 -7.698 -14.519 4.704 1.00 0.00 C ATOM 679 NZ LYS A 45 -8.344 -13.189 4.887 1.00 0.00 N ATOM 0 H LYS A 45 -1.874 -14.370 3.484 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.853 -13.766 5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.557 -15.195 3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.402 -16.169 4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.133 -13.297 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.992 -14.733 2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.865 -15.058 5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.096 -13.330 5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.823 -14.882 3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.138 -15.266 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.360 -13.265 4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.214 -12.872 5.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.909 -12.500 4.240 1.00 0.00 H new ATOM 693 N GLY A 46 -3.017 -15.321 7.342 1.00 0.00 N ATOM 694 CA GLY A 46 -2.611 -16.320 8.366 1.00 0.00 C ATOM 695 C GLY A 46 -1.876 -15.616 9.508 1.00 0.00 C ATOM 696 O GLY A 46 -1.962 -16.017 10.652 1.00 0.00 O ATOM 0 H GLY A 46 -3.411 -14.456 7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.489 -16.839 8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.966 -17.075 7.916 1.00 0.00 H new ATOM 700 N GLY A 47 -1.151 -14.573 9.211 1.00 0.00 N ATOM 701 CA GLY A 47 -0.413 -13.854 10.282 1.00 0.00 C ATOM 702 C GLY A 47 1.077 -13.848 9.951 1.00 0.00 C ATOM 703 O GLY A 47 1.882 -14.454 10.630 1.00 0.00 O ATOM 0 H GLY A 47 -1.039 -14.189 8.273 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.782 -12.832 10.371 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.582 -14.338 11.244 1.00 0.00 H new ATOM 707 N GLN A 48 1.446 -13.165 8.907 1.00 0.00 N ATOM 708 CA GLN A 48 2.879 -13.107 8.515 1.00 0.00 C ATOM 709 C GLN A 48 3.082 -11.993 7.490 1.00 0.00 C ATOM 710 O GLN A 48 2.844 -12.167 6.311 1.00 0.00 O ATOM 711 CB GLN A 48 3.179 -14.471 7.896 1.00 0.00 C ATOM 712 CG GLN A 48 4.506 -14.408 7.137 1.00 0.00 C ATOM 713 CD GLN A 48 4.804 -15.773 6.516 1.00 0.00 C ATOM 714 OE1 GLN A 48 5.894 -16.293 6.656 1.00 0.00 O ATOM 715 NE2 GLN A 48 3.876 -16.382 5.831 1.00 0.00 N ATOM 0 H GLN A 48 0.812 -12.641 8.304 1.00 0.00 H new ATOM 0 HA GLN A 48 3.537 -12.897 9.358 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.229 -15.232 8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.375 -14.760 7.220 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.456 -13.646 6.359 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.311 -14.121 7.814 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.961 -15.947 5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.065 -17.293 5.414 1.00 0.00 H new ATOM 724 N LYS A 49 3.504 -10.846 7.934 1.00 0.00 N ATOM 725 CA LYS A 49 3.707 -9.713 6.992 1.00 0.00 C ATOM 726 C LYS A 49 5.191 -9.430 6.807 1.00 0.00 C ATOM 727 O LYS A 49 6.039 -10.000 7.463 1.00 0.00 O ATOM 728 CB LYS A 49 3.022 -8.526 7.664 1.00 0.00 C ATOM 729 CG LYS A 49 3.379 -7.223 6.943 1.00 0.00 C ATOM 730 CD LYS A 49 2.638 -6.058 7.603 1.00 0.00 C ATOM 731 CE LYS A 49 3.570 -5.357 8.595 1.00 0.00 C ATOM 732 NZ LYS A 49 2.855 -5.417 9.900 1.00 0.00 N ATOM 0 H LYS A 49 3.718 -10.643 8.910 1.00 0.00 H new ATOM 0 HA LYS A 49 3.302 -9.923 6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.941 -8.669 7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.327 -8.466 8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.455 -7.054 6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.108 -7.291 5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.299 -5.352 6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.749 -6.423 8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.537 -5.858 8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.762 -4.326 8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.431 -4.956 10.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.942 -4.927 9.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.692 -6.410 10.161 1.00 0.00 H new ATOM 746 N VAL A 50 5.500 -8.550 5.908 1.00 0.00 N ATOM 747 CA VAL A 50 6.929 -8.208 5.650 1.00 0.00 C ATOM 748 C VAL A 50 7.028 -6.976 4.742 1.00 0.00 C ATOM 749 O VAL A 50 6.072 -6.246 4.567 1.00 0.00 O ATOM 750 CB VAL A 50 7.506 -9.447 4.959 1.00 0.00 C ATOM 751 CG1 VAL A 50 7.201 -9.393 3.459 1.00 0.00 C ATOM 752 CG2 VAL A 50 9.021 -9.496 5.172 1.00 0.00 C ATOM 0 H VAL A 50 4.825 -8.046 5.334 1.00 0.00 H new ATOM 0 HA VAL A 50 7.471 -7.962 6.563 1.00 0.00 H new ATOM 0 HB VAL A 50 7.051 -10.340 5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.613 -10.277 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.122 -9.366 3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.650 -8.498 3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.429 -10.378 4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.477 -8.601 4.749 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.237 -9.544 6.239 1.00 0.00 H new ATOM 762 N CYS A 51 8.176 -6.739 4.165 1.00 0.00 N ATOM 763 CA CYS A 51 8.334 -5.558 3.273 1.00 0.00 C ATOM 764 C CYS A 51 8.465 -6.018 1.822 1.00 0.00 C ATOM 765 O CYS A 51 8.948 -7.099 1.547 1.00 0.00 O ATOM 766 CB CYS A 51 9.615 -4.878 3.749 1.00 0.00 C ATOM 767 SG CYS A 51 9.261 -3.894 5.226 1.00 0.00 S ATOM 0 H CYS A 51 9.011 -7.314 4.274 1.00 0.00 H new ATOM 0 HA CYS A 51 7.480 -4.881 3.313 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.376 -5.626 3.971 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.015 -4.240 2.961 1.00 0.00 H new ATOM 0 HG CYS A 51 10.008 -2.830 5.228 1.00 0.00 H new ATOM 772 N LEU A 52 8.014 -5.223 0.893 1.00 0.00 N ATOM 773 CA LEU A 52 8.084 -5.630 -0.525 1.00 0.00 C ATOM 774 C LEU A 52 9.113 -4.795 -1.290 1.00 0.00 C ATOM 775 O LEU A 52 9.590 -3.782 -0.816 1.00 0.00 O ATOM 776 CB LEU A 52 6.678 -5.352 -1.032 1.00 0.00 C ATOM 777 CG LEU A 52 6.032 -6.654 -1.495 1.00 0.00 C ATOM 778 CD1 LEU A 52 4.511 -6.526 -1.404 1.00 0.00 C ATOM 779 CD2 LEU A 52 6.436 -6.942 -2.942 1.00 0.00 C ATOM 0 H LEU A 52 7.599 -4.306 1.062 1.00 0.00 H new ATOM 0 HA LEU A 52 8.394 -6.667 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.079 -4.898 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.712 -4.639 -1.856 1.00 0.00 H new ATOM 0 HG LEU A 52 6.368 -7.472 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.047 -7.455 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.224 -6.324 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.176 -5.707 -2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.973 -7.873 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.103 -6.125 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.520 -7.034 -3.006 1.00 0.00 H new ATOM 791 N ASP A 53 9.447 -5.230 -2.477 1.00 0.00 N ATOM 792 CA ASP A 53 10.442 -4.498 -3.318 1.00 0.00 C ATOM 793 C ASP A 53 10.161 -2.987 -3.305 1.00 0.00 C ATOM 794 O ASP A 53 9.448 -2.497 -2.455 1.00 0.00 O ATOM 795 CB ASP A 53 10.239 -5.077 -4.718 1.00 0.00 C ATOM 796 CG ASP A 53 11.582 -5.549 -5.279 1.00 0.00 C ATOM 797 OD1 ASP A 53 12.482 -5.784 -4.489 1.00 0.00 O ATOM 798 OD2 ASP A 53 11.688 -5.667 -6.489 1.00 0.00 O ATOM 0 H ASP A 53 9.067 -6.074 -2.906 1.00 0.00 H new ATOM 0 HA ASP A 53 11.464 -4.617 -2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.537 -5.910 -4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.804 -4.323 -5.374 1.00 0.00 H new ATOM 803 N PRO A 54 10.736 -2.291 -4.253 1.00 0.00 N ATOM 804 CA PRO A 54 10.541 -0.829 -4.331 1.00 0.00 C ATOM 805 C PRO A 54 9.231 -0.538 -5.057 1.00 0.00 C ATOM 806 O PRO A 54 9.201 -0.360 -6.258 1.00 0.00 O ATOM 807 CB PRO A 54 11.741 -0.354 -5.140 1.00 0.00 C ATOM 808 CG PRO A 54 12.171 -1.535 -5.962 1.00 0.00 C ATOM 809 CD PRO A 54 11.600 -2.787 -5.332 1.00 0.00 C ATOM 0 HA PRO A 54 10.479 -0.334 -3.362 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.475 0.490 -5.777 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.546 -0.018 -4.486 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.818 -1.432 -6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.259 -1.593 -6.003 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.035 -3.374 -6.056 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.389 -3.432 -4.945 1.00 0.00 H new ATOM 817 N GLU A 55 8.140 -0.528 -4.344 1.00 0.00 N ATOM 818 CA GLU A 55 6.834 -0.296 -5.012 1.00 0.00 C ATOM 819 C GLU A 55 6.590 -1.461 -5.965 1.00 0.00 C ATOM 820 O GLU A 55 5.830 -1.369 -6.907 1.00 0.00 O ATOM 821 CB GLU A 55 6.996 1.017 -5.784 1.00 0.00 C ATOM 822 CG GLU A 55 7.735 2.040 -4.916 1.00 0.00 C ATOM 823 CD GLU A 55 9.034 2.459 -5.609 1.00 0.00 C ATOM 824 OE1 GLU A 55 9.329 1.909 -6.657 1.00 0.00 O ATOM 825 OE2 GLU A 55 9.711 3.324 -5.079 1.00 0.00 O ATOM 0 H GLU A 55 8.098 -0.670 -3.335 1.00 0.00 H new ATOM 0 HA GLU A 55 5.994 -0.232 -4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.549 0.841 -6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.018 1.406 -6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.104 2.912 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.955 1.611 -3.938 1.00 0.00 H new ATOM 832 N ALA A 56 7.261 -2.558 -5.724 1.00 0.00 N ATOM 833 CA ALA A 56 7.111 -3.742 -6.609 1.00 0.00 C ATOM 834 C ALA A 56 7.114 -3.287 -8.067 1.00 0.00 C ATOM 835 O ALA A 56 6.090 -3.269 -8.717 1.00 0.00 O ATOM 836 CB ALA A 56 5.769 -4.374 -6.225 1.00 0.00 C ATOM 0 H ALA A 56 7.909 -2.681 -4.946 1.00 0.00 H new ATOM 0 HA ALA A 56 7.924 -4.459 -6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.593 -5.256 -6.841 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.790 -4.663 -5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.968 -3.653 -6.387 1.00 0.00 H new ATOM 842 N PRO A 57 8.284 -2.929 -8.531 1.00 0.00 N ATOM 843 CA PRO A 57 8.444 -2.466 -9.930 1.00 0.00 C ATOM 844 C PRO A 57 8.290 -3.654 -10.873 1.00 0.00 C ATOM 845 O PRO A 57 7.234 -3.888 -11.424 1.00 0.00 O ATOM 846 CB PRO A 57 9.865 -1.912 -9.969 1.00 0.00 C ATOM 847 CG PRO A 57 10.582 -2.619 -8.863 1.00 0.00 C ATOM 848 CD PRO A 57 9.557 -2.929 -7.802 1.00 0.00 C ATOM 0 HA PRO A 57 7.707 -1.723 -10.236 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.338 -2.103 -10.932 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.873 -0.832 -9.819 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.048 -3.534 -9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.379 -1.995 -8.459 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.748 -3.894 -7.332 1.00 0.00 H new ATOM 0 HD3 PRO A 57 9.564 -2.181 -7.009 1.00 0.00 H new ATOM 856 N LEU A 58 9.322 -4.427 -11.045 1.00 0.00 N ATOM 857 CA LEU A 58 9.193 -5.609 -11.929 1.00 0.00 C ATOM 858 C LEU A 58 7.915 -6.356 -11.548 1.00 0.00 C ATOM 859 O LEU A 58 7.237 -6.920 -12.384 1.00 0.00 O ATOM 860 CB LEU A 58 10.431 -6.462 -11.645 1.00 0.00 C ATOM 861 CG LEU A 58 11.666 -5.776 -12.230 1.00 0.00 C ATOM 862 CD1 LEU A 58 12.920 -6.565 -11.847 1.00 0.00 C ATOM 863 CD2 LEU A 58 11.545 -5.724 -13.754 1.00 0.00 C ATOM 0 H LEU A 58 10.238 -4.293 -10.617 1.00 0.00 H new ATOM 0 HA LEU A 58 9.131 -5.354 -12.987 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.553 -6.600 -10.571 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.311 -7.453 -12.082 1.00 0.00 H new ATOM 0 HG LEU A 58 11.739 -4.763 -11.834 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.800 -6.075 -12.265 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.008 -6.604 -10.761 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.847 -7.578 -12.242 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.425 -5.235 -14.172 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.471 -6.738 -14.148 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.652 -5.162 -14.029 1.00 0.00 H new ATOM 875 N VAL A 59 7.578 -6.350 -10.283 1.00 0.00 N ATOM 876 CA VAL A 59 6.336 -7.047 -9.841 1.00 0.00 C ATOM 877 C VAL A 59 5.138 -6.090 -9.863 1.00 0.00 C ATOM 878 O VAL A 59 4.035 -6.455 -9.505 1.00 0.00 O ATOM 879 CB VAL A 59 6.623 -7.504 -8.415 1.00 0.00 C ATOM 880 CG1 VAL A 59 5.421 -8.287 -7.888 1.00 0.00 C ATOM 881 CG2 VAL A 59 7.862 -8.400 -8.408 1.00 0.00 C ATOM 0 H VAL A 59 8.108 -5.894 -9.541 1.00 0.00 H new ATOM 0 HA VAL A 59 6.084 -7.880 -10.498 1.00 0.00 H new ATOM 0 HB VAL A 59 6.802 -6.637 -7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.620 -8.617 -6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.538 -7.648 -7.897 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.246 -9.156 -8.523 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.068 -8.727 -7.389 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.685 -9.270 -9.040 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.717 -7.842 -8.790 1.00 0.00 H new ATOM 891 N GLN A 60 5.340 -4.868 -10.269 1.00 0.00 N ATOM 892 CA GLN A 60 4.208 -3.898 -10.298 1.00 0.00 C ATOM 893 C GLN A 60 2.985 -4.541 -10.949 1.00 0.00 C ATOM 894 O GLN A 60 1.868 -4.372 -10.501 1.00 0.00 O ATOM 895 CB GLN A 60 4.711 -2.718 -11.128 1.00 0.00 C ATOM 896 CG GLN A 60 4.040 -1.431 -10.644 1.00 0.00 C ATOM 897 CD GLN A 60 4.768 -0.914 -9.402 1.00 0.00 C ATOM 898 OE1 GLN A 60 5.982 -0.846 -9.379 1.00 0.00 O ATOM 899 NE2 GLN A 60 4.077 -0.544 -8.359 1.00 0.00 N ATOM 0 H GLN A 60 6.238 -4.498 -10.582 1.00 0.00 H new ATOM 0 HA GLN A 60 3.905 -3.583 -9.299 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.794 -2.632 -11.038 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.490 -2.881 -12.183 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.062 -0.678 -11.432 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.992 -1.619 -10.412 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.059 -0.600 -8.376 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.555 -0.199 -7.527 1.00 0.00 H new ATOM 908 N LYS A 61 3.188 -5.285 -11.997 1.00 0.00 N ATOM 909 CA LYS A 61 2.036 -5.948 -12.669 1.00 0.00 C ATOM 910 C LYS A 61 1.311 -6.849 -11.669 1.00 0.00 C ATOM 911 O LYS A 61 0.176 -6.609 -11.309 1.00 0.00 O ATOM 912 CB LYS A 61 2.653 -6.778 -13.797 1.00 0.00 C ATOM 913 CG LYS A 61 2.442 -6.061 -15.132 1.00 0.00 C ATOM 914 CD LYS A 61 3.762 -5.436 -15.590 1.00 0.00 C ATOM 915 CE LYS A 61 4.121 -5.962 -16.982 1.00 0.00 C ATOM 916 NZ LYS A 61 4.053 -4.770 -17.873 1.00 0.00 N ATOM 0 H LYS A 61 4.100 -5.464 -12.418 1.00 0.00 H new ATOM 0 HA LYS A 61 1.306 -5.235 -13.052 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.718 -6.924 -13.615 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.196 -7.767 -13.827 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.081 -6.765 -15.882 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.679 -5.289 -15.026 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.674 -4.350 -15.612 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.555 -5.677 -14.883 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.116 -6.406 -16.992 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.424 -6.736 -17.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.287 -5.051 -18.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.092 -4.373 -17.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.732 -4.053 -17.546 1.00 0.00 H new ATOM 930 N ILE A 62 1.966 -7.876 -11.210 1.00 0.00 N ATOM 931 CA ILE A 62 1.323 -8.785 -10.220 1.00 0.00 C ATOM 932 C ILE A 62 0.742 -7.959 -9.072 1.00 0.00 C ATOM 933 O ILE A 62 -0.231 -8.339 -8.451 1.00 0.00 O ATOM 934 CB ILE A 62 2.451 -9.695 -9.730 1.00 0.00 C ATOM 935 CG1 ILE A 62 2.999 -10.504 -10.907 1.00 0.00 C ATOM 936 CG2 ILE A 62 1.911 -10.653 -8.667 1.00 0.00 C ATOM 937 CD1 ILE A 62 4.023 -11.520 -10.399 1.00 0.00 C ATOM 0 H ILE A 62 2.918 -8.127 -11.476 1.00 0.00 H new ATOM 0 HA ILE A 62 0.502 -9.363 -10.643 1.00 0.00 H new ATOM 0 HB ILE A 62 3.247 -9.086 -9.301 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.185 -11.018 -11.419 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.463 -9.838 -11.635 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.715 -11.301 -8.319 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.517 -10.080 -7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.115 -11.262 -9.096 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.412 -12.095 -11.239 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.843 -10.996 -9.907 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.545 -12.194 -9.688 1.00 0.00 H new ATOM 949 N ILE A 63 1.315 -6.816 -8.804 1.00 0.00 N ATOM 950 CA ILE A 63 0.778 -5.953 -7.721 1.00 0.00 C ATOM 951 C ILE A 63 -0.527 -5.338 -8.202 1.00 0.00 C ATOM 952 O ILE A 63 -1.573 -5.528 -7.617 1.00 0.00 O ATOM 953 CB ILE A 63 1.856 -4.888 -7.500 1.00 0.00 C ATOM 954 CG1 ILE A 63 2.585 -5.182 -6.192 1.00 0.00 C ATOM 955 CG2 ILE A 63 1.218 -3.502 -7.435 1.00 0.00 C ATOM 956 CD1 ILE A 63 3.002 -6.649 -6.182 1.00 0.00 C ATOM 0 H ILE A 63 2.132 -6.446 -9.290 1.00 0.00 H new ATOM 0 HA ILE A 63 0.565 -6.486 -6.795 1.00 0.00 H new ATOM 0 HB ILE A 63 2.563 -4.909 -8.329 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.460 -4.540 -6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.937 -4.968 -5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.993 -2.752 -7.278 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.699 -3.296 -8.371 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.507 -3.467 -6.610 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.524 -6.872 -5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.116 -7.280 -6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.664 -6.845 -7.026 1.00 0.00 H new ATOM 968 N GLN A 64 -0.477 -4.631 -9.290 1.00 0.00 N ATOM 969 CA GLN A 64 -1.728 -4.040 -9.830 1.00 0.00 C ATOM 970 C GLN A 64 -2.781 -5.143 -9.852 1.00 0.00 C ATOM 971 O GLN A 64 -3.952 -4.916 -9.624 1.00 0.00 O ATOM 972 CB GLN A 64 -1.375 -3.569 -11.246 1.00 0.00 C ATOM 973 CG GLN A 64 -1.879 -4.580 -12.280 1.00 0.00 C ATOM 974 CD GLN A 64 -1.300 -4.236 -13.654 1.00 0.00 C ATOM 975 OE1 GLN A 64 -0.729 -5.082 -14.313 1.00 0.00 O ATOM 976 NE2 GLN A 64 -1.423 -3.023 -14.115 1.00 0.00 N ATOM 0 H GLN A 64 0.369 -4.437 -9.826 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.118 -3.208 -9.243 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.821 -2.592 -11.434 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.296 -3.450 -11.339 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.584 -5.589 -11.992 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.968 -4.565 -12.318 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.903 -2.313 -13.561 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.040 -2.784 -15.029 1.00 0.00 H new ATOM 985 N LYS A 65 -2.348 -6.350 -10.096 1.00 0.00 N ATOM 986 CA LYS A 65 -3.292 -7.497 -10.102 1.00 0.00 C ATOM 987 C LYS A 65 -3.837 -7.685 -8.689 1.00 0.00 C ATOM 988 O LYS A 65 -5.000 -7.980 -8.489 1.00 0.00 O ATOM 989 CB LYS A 65 -2.456 -8.704 -10.526 1.00 0.00 C ATOM 990 CG LYS A 65 -3.346 -9.710 -11.260 1.00 0.00 C ATOM 991 CD LYS A 65 -3.559 -10.941 -10.379 1.00 0.00 C ATOM 992 CE LYS A 65 -2.202 -11.549 -10.014 1.00 0.00 C ATOM 993 NZ LYS A 65 -2.372 -13.015 -10.213 1.00 0.00 N ATOM 0 H LYS A 65 -1.376 -6.589 -10.292 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.140 -7.352 -10.772 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.640 -8.385 -11.174 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.005 -9.172 -9.651 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.305 -9.253 -11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.883 -10.000 -12.203 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.101 -10.665 -9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.169 -11.676 -10.904 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.409 -11.154 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.931 -11.319 -8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.482 -13.502 -9.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.129 -13.364 -9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.623 -13.204 -11.204 1.00 0.00 H new ATOM 1007 N ILE A 66 -3.001 -7.492 -7.705 1.00 0.00 N ATOM 1008 CA ILE A 66 -3.462 -7.633 -6.297 1.00 0.00 C ATOM 1009 C ILE A 66 -4.358 -6.445 -5.948 1.00 0.00 C ATOM 1010 O ILE A 66 -5.322 -6.565 -5.219 1.00 0.00 O ATOM 1011 CB ILE A 66 -2.183 -7.636 -5.450 1.00 0.00 C ATOM 1012 CG1 ILE A 66 -2.330 -8.656 -4.318 1.00 0.00 C ATOM 1013 CG2 ILE A 66 -1.938 -6.248 -4.852 1.00 0.00 C ATOM 1014 CD1 ILE A 66 -3.600 -8.353 -3.519 1.00 0.00 C ATOM 0 H ILE A 66 -2.018 -7.243 -7.817 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.042 -8.539 -6.125 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.338 -7.902 -6.085 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.377 -9.665 -4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.459 -8.618 -3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.027 -6.265 -4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.830 -5.519 -5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.782 -5.970 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.705 -9.079 -2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.534 -7.350 -3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.467 -8.414 -4.177 1.00 0.00 H new ATOM 1026 N LEU A 67 -4.047 -5.300 -6.489 1.00 0.00 N ATOM 1027 CA LEU A 67 -4.871 -4.093 -6.227 1.00 0.00 C ATOM 1028 C LEU A 67 -6.146 -4.164 -7.064 1.00 0.00 C ATOM 1029 O LEU A 67 -7.216 -3.793 -6.627 1.00 0.00 O ATOM 1030 CB LEU A 67 -3.996 -2.920 -6.674 1.00 0.00 C ATOM 1031 CG LEU A 67 -3.153 -2.433 -5.496 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -1.797 -3.137 -5.515 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -2.945 -0.921 -5.610 1.00 0.00 C ATOM 0 H LEU A 67 -3.249 -5.150 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.170 -3.998 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.349 -3.228 -7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.621 -2.109 -7.048 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.667 -2.660 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.195 -2.790 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.945 -4.214 -5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.282 -2.910 -6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.344 -0.572 -4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.431 -0.694 -6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.912 -0.419 -5.597 1.00 0.00 H new ATOM 1045 N ASN A 68 -6.032 -4.646 -8.269 1.00 0.00 N ATOM 1046 CA ASN A 68 -7.222 -4.756 -9.150 1.00 0.00 C ATOM 1047 C ASN A 68 -7.896 -6.119 -8.964 1.00 0.00 C ATOM 1048 O ASN A 68 -8.837 -6.455 -9.655 1.00 0.00 O ATOM 1049 CB ASN A 68 -6.672 -4.615 -10.566 1.00 0.00 C ATOM 1050 CG ASN A 68 -7.574 -3.682 -11.374 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -8.468 -4.128 -12.066 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -7.375 -2.392 -11.317 1.00 0.00 N ATOM 0 H ASN A 68 -5.158 -4.970 -8.683 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.976 -4.001 -8.927 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.657 -4.220 -10.535 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.619 -5.592 -11.046 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.970 -1.760 -11.853 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.625 -2.017 -10.736 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.420 -6.910 -8.038 1.00 0.00 N ATOM 1060 CA LYS A 69 -8.034 -8.251 -7.815 1.00 0.00 C ATOM 1061 C LYS A 69 -9.330 -8.121 -7.019 1.00 0.00 C ATOM 1062 O LYS A 69 -9.892 -9.093 -6.554 1.00 0.00 O ATOM 1063 CB LYS A 69 -6.992 -9.053 -7.034 1.00 0.00 C ATOM 1064 CG LYS A 69 -6.494 -10.218 -7.892 1.00 0.00 C ATOM 1065 CD LYS A 69 -7.206 -11.503 -7.470 1.00 0.00 C ATOM 1066 CE LYS A 69 -6.203 -12.658 -7.436 1.00 0.00 C ATOM 1067 NZ LYS A 69 -7.020 -13.871 -7.154 1.00 0.00 N ATOM 0 H LYS A 69 -6.634 -6.685 -7.428 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.293 -8.740 -8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.157 -8.410 -6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.427 -9.430 -6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.683 -10.014 -8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.416 -10.333 -7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.660 -11.373 -6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.013 -11.729 -8.167 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.675 -12.750 -8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.448 -12.503 -6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.401 -14.706 -7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.506 -13.758 -6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.725 -13.998 -7.908 1.00 0.00 H new ATOM 1310 N LYS B 13 -15.644 5.798 4.079 1.00 0.00 N ATOM 1311 CA LYS B 13 -15.462 6.154 2.644 1.00 0.00 C ATOM 1312 C LYS B 13 -13.977 6.096 2.282 1.00 0.00 C ATOM 1313 O LYS B 13 -13.167 5.579 3.024 1.00 0.00 O ATOM 1314 CB LYS B 13 -15.984 7.583 2.519 1.00 0.00 C ATOM 1315 CG LYS B 13 -17.408 7.561 1.958 1.00 0.00 C ATOM 1316 CD LYS B 13 -17.802 8.969 1.506 1.00 0.00 C ATOM 1317 CE LYS B 13 -17.568 9.107 0.000 1.00 0.00 C ATOM 1318 NZ LYS B 13 -18.361 10.301 -0.405 1.00 0.00 N ATOM 0 HA LYS B 13 -15.987 5.471 1.976 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -15.973 8.071 3.493 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -15.333 8.163 1.865 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -17.469 6.868 1.119 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -18.104 7.204 2.717 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -18.850 9.158 1.741 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -17.216 9.713 2.045 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -16.510 9.241 -0.224 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -17.896 8.215 -0.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -18.251 10.461 -1.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -19.365 10.142 -0.186 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -18.021 11.136 0.114 1.00 0.00 H new ATOM 1332 N THR B 14 -13.613 6.624 1.147 1.00 0.00 N ATOM 1333 CA THR B 14 -12.186 6.601 0.736 1.00 0.00 C ATOM 1334 C THR B 14 -11.921 7.701 -0.294 1.00 0.00 C ATOM 1335 O THR B 14 -12.829 8.199 -0.931 1.00 0.00 O ATOM 1336 CB THR B 14 -11.984 5.229 0.106 1.00 0.00 C ATOM 1337 OG1 THR B 14 -13.245 4.687 -0.262 1.00 0.00 O ATOM 1338 CG2 THR B 14 -11.295 4.298 1.105 1.00 0.00 C ATOM 0 H THR B 14 -14.247 7.072 0.485 1.00 0.00 H new ATOM 0 HA THR B 14 -11.509 6.773 1.573 1.00 0.00 H new ATOM 0 HB THR B 14 -11.358 5.327 -0.781 1.00 0.00 H new ATOM 0 HG1 THR B 14 -13.116 3.805 -0.669 1.00 0.00 H new ATOM 0 HG21 THR B 14 -11.152 3.318 0.650 1.00 0.00 H new ATOM 0 HG22 THR B 14 -10.326 4.714 1.382 1.00 0.00 H new ATOM 0 HG23 THR B 14 -11.915 4.198 1.996 1.00 0.00 H new ATOM 1346 N LEU B 15 -10.688 8.085 -0.464 1.00 0.00 N ATOM 1347 CA LEU B 15 -10.371 9.148 -1.450 1.00 0.00 C ATOM 1348 C LEU B 15 -9.642 8.552 -2.655 1.00 0.00 C ATOM 1349 O LEU B 15 -8.923 7.581 -2.530 1.00 0.00 O ATOM 1350 CB LEU B 15 -9.460 10.107 -0.693 1.00 0.00 C ATOM 1351 CG LEU B 15 -10.216 10.689 0.501 1.00 0.00 C ATOM 1352 CD1 LEU B 15 -10.218 9.680 1.650 1.00 0.00 C ATOM 1353 CD2 LEU B 15 -9.526 11.974 0.956 1.00 0.00 C ATOM 0 H LEU B 15 -9.886 7.706 0.039 1.00 0.00 H new ATOM 0 HA LEU B 15 -11.263 9.642 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.566 9.584 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -9.128 10.908 -1.353 1.00 0.00 H new ATOM 0 HG LEU B 15 -11.244 10.906 0.210 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.758 10.098 2.500 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -10.706 8.761 1.326 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -9.191 9.461 1.944 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -10.062 12.393 1.808 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.499 11.752 1.247 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -9.524 12.695 0.138 1.00 0.00 H new ATOM 1365 N PRO B 16 -9.857 9.159 -3.788 1.00 0.00 N ATOM 1366 CA PRO B 16 -9.220 8.693 -5.036 1.00 0.00 C ATOM 1367 C PRO B 16 -7.804 9.258 -5.143 1.00 0.00 C ATOM 1368 O PRO B 16 -7.010 8.823 -5.948 1.00 0.00 O ATOM 1369 CB PRO B 16 -10.116 9.274 -6.123 1.00 0.00 C ATOM 1370 CG PRO B 16 -10.766 10.477 -5.510 1.00 0.00 C ATOM 1371 CD PRO B 16 -10.709 10.327 -4.009 1.00 0.00 C ATOM 0 HA PRO B 16 -9.126 7.609 -5.099 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -9.536 9.548 -7.004 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -10.862 8.548 -6.446 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -10.253 11.387 -5.821 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -11.800 10.563 -5.845 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -10.292 11.217 -3.537 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -11.703 10.178 -3.587 1.00 0.00 H new ATOM 1379 N ARG B 17 -7.489 10.234 -4.340 1.00 0.00 N ATOM 1380 CA ARG B 17 -6.132 10.841 -4.394 1.00 0.00 C ATOM 1381 C ARG B 17 -5.928 11.744 -3.177 1.00 0.00 C ATOM 1382 O ARG B 17 -5.894 12.954 -3.286 1.00 0.00 O ATOM 1383 CB ARG B 17 -6.129 11.663 -5.684 1.00 0.00 C ATOM 1384 CG ARG B 17 -4.875 12.533 -5.735 1.00 0.00 C ATOM 1385 CD ARG B 17 -5.205 13.871 -6.400 1.00 0.00 C ATOM 1386 NE ARG B 17 -3.919 14.333 -6.992 1.00 0.00 N ATOM 1387 CZ ARG B 17 -3.922 15.212 -7.957 1.00 0.00 C ATOM 1388 NH1 ARG B 17 -4.699 16.258 -7.885 1.00 0.00 N ATOM 1389 NH2 ARG B 17 -3.148 15.044 -8.994 1.00 0.00 N ATOM 0 H ARG B 17 -8.116 10.639 -3.645 1.00 0.00 H new ATOM 0 HA ARG B 17 -5.333 10.100 -4.383 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -6.160 11.001 -6.549 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -7.020 12.289 -5.730 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -4.495 12.700 -4.727 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -4.089 12.023 -6.292 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -5.972 13.753 -7.165 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -5.586 14.589 -5.674 1.00 0.00 H new ATOM 0 HE ARG B 17 -3.035 13.962 -6.643 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -5.304 16.389 -7.074 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -4.701 16.945 -8.639 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -2.541 14.226 -9.050 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -3.150 15.731 -9.748 1.00 0.00 H new ATOM 1403 N VAL B 18 -5.791 11.163 -2.019 1.00 0.00 N ATOM 1404 CA VAL B 18 -5.579 11.988 -0.789 1.00 0.00 C ATOM 1405 C VAL B 18 -4.498 13.029 -1.062 1.00 0.00 C ATOM 1406 O VAL B 18 -3.973 13.102 -2.151 1.00 0.00 O ATOM 1407 CB VAL B 18 -5.117 10.998 0.279 1.00 0.00 C ATOM 1408 CG1 VAL B 18 -5.187 11.664 1.651 1.00 0.00 C ATOM 1409 CG2 VAL B 18 -6.027 9.768 0.270 1.00 0.00 C ATOM 0 H VAL B 18 -5.816 10.155 -1.867 1.00 0.00 H new ATOM 0 HA VAL B 18 -6.477 12.522 -0.477 1.00 0.00 H new ATOM 0 HB VAL B 18 -4.092 10.693 0.068 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -4.858 10.959 2.415 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -4.540 12.541 1.663 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -6.214 11.968 1.856 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -5.695 9.064 1.033 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -7.052 10.073 0.479 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -5.983 9.290 -0.709 1.00 0.00 H new ATOM 1419 N ASP B 19 -4.147 13.827 -0.087 1.00 0.00 N ATOM 1420 CA ASP B 19 -3.084 14.838 -0.314 1.00 0.00 C ATOM 1421 C ASP B 19 -1.889 14.126 -0.947 1.00 0.00 C ATOM 1422 O ASP B 19 -0.850 13.944 -0.345 1.00 0.00 O ATOM 1423 CB ASP B 19 -2.760 15.359 1.080 1.00 0.00 C ATOM 1424 CG ASP B 19 -1.840 16.575 0.978 1.00 0.00 C ATOM 1425 OD1 ASP B 19 -1.716 17.110 -0.112 1.00 0.00 O ATOM 1426 OD2 ASP B 19 -1.275 16.952 1.991 1.00 0.00 O ATOM 0 H ASP B 19 -4.551 13.819 0.850 1.00 0.00 H new ATOM 0 HA ASP B 19 -3.367 15.655 -0.978 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -3.679 15.630 1.600 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -2.280 14.577 1.668 1.00 0.00 H new ATOM 1431 N PHE B 20 -2.076 13.684 -2.154 1.00 0.00 N ATOM 1432 CA PHE B 20 -1.030 12.924 -2.884 1.00 0.00 C ATOM 1433 C PHE B 20 0.378 13.425 -2.600 1.00 0.00 C ATOM 1434 O PHE B 20 1.132 12.802 -1.882 1.00 0.00 O ATOM 1435 CB PHE B 20 -1.381 13.115 -4.352 1.00 0.00 C ATOM 1436 CG PHE B 20 -1.296 11.782 -5.024 1.00 0.00 C ATOM 1437 CD1 PHE B 20 -2.413 10.945 -5.057 1.00 0.00 C ATOM 1438 CD2 PHE B 20 -0.090 11.373 -5.589 1.00 0.00 C ATOM 1439 CE1 PHE B 20 -2.324 9.694 -5.666 1.00 0.00 C ATOM 1440 CE2 PHE B 20 0.005 10.125 -6.193 1.00 0.00 C ATOM 1441 CZ PHE B 20 -1.118 9.280 -6.233 1.00 0.00 C ATOM 0 H PHE B 20 -2.938 13.823 -2.681 1.00 0.00 H new ATOM 0 HA PHE B 20 -1.020 11.879 -2.574 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.384 13.530 -4.453 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -0.695 13.822 -4.819 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -3.343 11.266 -4.612 1.00 0.00 H new ATOM 0 HD2 PHE B 20 0.770 12.025 -5.558 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -3.187 9.046 -5.699 1.00 0.00 H new ATOM 0 HE2 PHE B 20 0.939 9.805 -6.631 1.00 0.00 H new ATOM 0 HZ PHE B 20 -1.047 8.310 -6.703 1.00 0.00 H new ATOM 1451 N LYS B 21 0.760 14.517 -3.182 1.00 0.00 N ATOM 1452 CA LYS B 21 2.142 15.011 -2.960 1.00 0.00 C ATOM 1453 C LYS B 21 2.531 14.834 -1.487 1.00 0.00 C ATOM 1454 O LYS B 21 3.694 14.722 -1.151 1.00 0.00 O ATOM 1455 CB LYS B 21 2.110 16.491 -3.344 1.00 0.00 C ATOM 1456 CG LYS B 21 2.247 16.629 -4.860 1.00 0.00 C ATOM 1457 CD LYS B 21 2.239 18.112 -5.240 1.00 0.00 C ATOM 1458 CE LYS B 21 1.523 18.293 -6.580 1.00 0.00 C ATOM 1459 NZ LYS B 21 2.161 17.304 -7.493 1.00 0.00 N ATOM 0 H LYS B 21 0.182 15.088 -3.799 1.00 0.00 H new ATOM 0 HA LYS B 21 2.878 14.464 -3.550 1.00 0.00 H new ATOM 0 HB2 LYS B 21 1.176 16.944 -3.010 1.00 0.00 H new ATOM 0 HB3 LYS B 21 2.919 17.024 -2.845 1.00 0.00 H new ATOM 0 HG2 LYS B 21 3.172 16.161 -5.196 1.00 0.00 H new ATOM 0 HG3 LYS B 21 1.428 16.110 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS B 21 1.738 18.694 -4.466 1.00 0.00 H new ATOM 0 HD3 LYS B 21 3.261 18.486 -5.308 1.00 0.00 H new ATOM 0 HE2 LYS B 21 0.453 18.109 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS B 21 1.639 19.310 -6.956 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 2.103 17.648 -8.473 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 3.159 17.180 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 1.667 16.392 -7.417 1.00 0.00 H new ATOM 1473 N ASN B 22 1.565 14.801 -0.606 1.00 0.00 N ATOM 1474 CA ASN B 22 1.872 14.626 0.838 1.00 0.00 C ATOM 1475 C ASN B 22 1.895 13.142 1.197 1.00 0.00 C ATOM 1476 O ASN B 22 2.543 12.731 2.140 1.00 0.00 O ATOM 1477 CB ASN B 22 0.724 15.314 1.561 1.00 0.00 C ATOM 1478 CG ASN B 22 1.277 16.297 2.595 1.00 0.00 C ATOM 1479 OD1 ASN B 22 2.349 16.841 2.419 1.00 0.00 O ATOM 1480 ND2 ASN B 22 0.585 16.550 3.672 1.00 0.00 N ATOM 0 H ASN B 22 0.574 14.888 -0.829 1.00 0.00 H new ATOM 0 HA ASN B 22 2.844 15.039 1.106 1.00 0.00 H new ATOM 0 HB2 ASN B 22 0.095 15.842 0.844 1.00 0.00 H new ATOM 0 HB3 ASN B 22 0.094 14.572 2.052 1.00 0.00 H new ATOM 0 HD21 ASN B 22 0.944 17.205 4.367 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -0.315 16.093 3.819 1.00 0.00 H new ATOM 1487 N ILE B 23 1.178 12.340 0.460 1.00 0.00 N ATOM 1488 CA ILE B 23 1.138 10.883 0.763 1.00 0.00 C ATOM 1489 C ILE B 23 2.514 10.400 1.232 1.00 0.00 C ATOM 1490 O ILE B 23 3.424 10.219 0.448 1.00 0.00 O ATOM 1491 CB ILE B 23 0.727 10.213 -0.555 1.00 0.00 C ATOM 1492 CG1 ILE B 23 -0.724 9.741 -0.451 1.00 0.00 C ATOM 1493 CG2 ILE B 23 1.626 9.010 -0.846 1.00 0.00 C ATOM 1494 CD1 ILE B 23 -1.625 10.938 -0.157 1.00 0.00 C ATOM 0 H ILE B 23 0.617 12.632 -0.340 1.00 0.00 H new ATOM 0 HA ILE B 23 0.441 10.642 1.565 1.00 0.00 H new ATOM 0 HB ILE B 23 0.829 10.936 -1.364 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.030 9.261 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -0.820 8.996 0.339 1.00 0.00 H new ATOM 0 HG21 ILE B 23 1.321 8.546 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE B 23 2.662 9.340 -0.924 1.00 0.00 H new ATOM 0 HG23 ILE B 23 1.537 8.285 -0.037 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -2.660 10.605 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -1.323 11.398 0.784 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -1.536 11.667 -0.962 1.00 0.00 H new ATOM 1506 N GLN B 24 2.669 10.192 2.510 1.00 0.00 N ATOM 1507 CA GLN B 24 3.983 9.720 3.039 1.00 0.00 C ATOM 1508 C GLN B 24 3.949 8.207 3.258 1.00 0.00 C ATOM 1509 O GLN B 24 4.918 7.608 3.682 1.00 0.00 O ATOM 1510 CB GLN B 24 4.163 10.453 4.368 1.00 0.00 C ATOM 1511 CG GLN B 24 5.605 10.287 4.851 1.00 0.00 C ATOM 1512 CD GLN B 24 5.682 9.115 5.831 1.00 0.00 C ATOM 1513 OE1 GLN B 24 5.012 9.111 6.845 1.00 0.00 O ATOM 1514 NE2 GLN B 24 6.475 8.113 5.571 1.00 0.00 N ATOM 0 H GLN B 24 1.943 10.328 3.213 1.00 0.00 H new ATOM 0 HA GLN B 24 4.803 9.923 2.350 1.00 0.00 H new ATOM 0 HB2 GLN B 24 3.928 11.511 4.247 1.00 0.00 H new ATOM 0 HB3 GLN B 24 3.471 10.056 5.111 1.00 0.00 H new ATOM 0 HG2 GLN B 24 6.266 10.110 4.003 1.00 0.00 H new ATOM 0 HG3 GLN B 24 5.946 11.203 5.335 1.00 0.00 H new ATOM 0 HE21 GLN B 24 7.038 8.115 4.720 1.00 0.00 H new ATOM 0 HE22 GLN B 24 6.533 7.327 6.218 1.00 0.00 H new ATOM 1523 N SER B 25 2.841 7.584 2.970 1.00 0.00 N ATOM 1524 CA SER B 25 2.744 6.109 3.155 1.00 0.00 C ATOM 1525 C SER B 25 1.453 5.586 2.522 1.00 0.00 C ATOM 1526 O SER B 25 0.490 6.310 2.366 1.00 0.00 O ATOM 1527 CB SER B 25 2.727 5.896 4.668 1.00 0.00 C ATOM 1528 OG SER B 25 1.384 5.727 5.104 1.00 0.00 O ATOM 0 H SER B 25 1.997 8.033 2.614 1.00 0.00 H new ATOM 0 HA SER B 25 3.570 5.577 2.682 1.00 0.00 H new ATOM 0 HB2 SER B 25 3.320 5.019 4.930 1.00 0.00 H new ATOM 0 HB3 SER B 25 3.180 6.750 5.172 1.00 0.00 H new ATOM 0 HG SER B 25 1.370 5.589 6.074 1.00 0.00 H new ATOM 1534 N LEU B 26 1.428 4.337 2.153 1.00 0.00 N ATOM 1535 CA LEU B 26 0.200 3.770 1.528 1.00 0.00 C ATOM 1536 C LEU B 26 -0.140 2.426 2.169 1.00 0.00 C ATOM 1537 O LEU B 26 0.688 1.811 2.807 1.00 0.00 O ATOM 1538 CB LEU B 26 0.563 3.577 0.053 1.00 0.00 C ATOM 1539 CG LEU B 26 -0.415 4.355 -0.827 1.00 0.00 C ATOM 1540 CD1 LEU B 26 -1.853 4.018 -0.422 1.00 0.00 C ATOM 1541 CD2 LEU B 26 -0.171 5.854 -0.649 1.00 0.00 C ATOM 0 H LEU B 26 2.204 3.683 2.257 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.668 4.417 1.656 1.00 0.00 H new ATOM 0 HB2 LEU B 26 1.582 3.920 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU B 26 0.533 2.518 -0.203 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.263 4.081 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.548 4.574 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.025 2.949 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.010 4.291 0.622 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.867 6.413 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.324 6.126 0.395 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.852 6.093 -0.940 1.00 0.00 H new ATOM 1553 N SER B 27 -1.349 1.965 2.003 1.00 0.00 N ATOM 1554 CA SER B 27 -1.734 0.655 2.597 1.00 0.00 C ATOM 1555 C SER B 27 -2.954 0.090 1.865 1.00 0.00 C ATOM 1556 O SER B 27 -4.033 0.644 1.920 1.00 0.00 O ATOM 1557 CB SER B 27 -2.069 0.964 4.053 1.00 0.00 C ATOM 1558 OG SER B 27 -0.949 0.647 4.870 1.00 0.00 O ATOM 0 H SER B 27 -2.086 2.439 1.482 1.00 0.00 H new ATOM 0 HA SER B 27 -0.942 -0.090 2.516 1.00 0.00 H new ATOM 0 HB2 SER B 27 -2.328 2.017 4.163 1.00 0.00 H new ATOM 0 HB3 SER B 27 -2.939 0.388 4.368 1.00 0.00 H new ATOM 0 HG SER B 27 -0.691 -0.287 4.723 1.00 0.00 H new ATOM 1564 N VAL B 28 -2.794 -1.004 1.169 1.00 0.00 N ATOM 1565 CA VAL B 28 -3.952 -1.584 0.427 1.00 0.00 C ATOM 1566 C VAL B 28 -4.418 -2.891 1.072 1.00 0.00 C ATOM 1567 O VAL B 28 -3.653 -3.818 1.248 1.00 0.00 O ATOM 1568 CB VAL B 28 -3.423 -1.844 -0.983 1.00 0.00 C ATOM 1569 CG1 VAL B 28 -4.430 -2.699 -1.755 1.00 0.00 C ATOM 1570 CG2 VAL B 28 -3.225 -0.512 -1.709 1.00 0.00 C ATOM 0 H VAL B 28 -1.918 -1.519 1.082 1.00 0.00 H new ATOM 0 HA VAL B 28 -4.812 -0.915 0.431 1.00 0.00 H new ATOM 0 HB VAL B 28 -2.470 -2.369 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -4.054 -2.885 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.572 -3.649 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -5.383 -2.173 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.848 -0.698 -2.715 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -4.178 0.014 -1.771 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -2.508 0.099 -1.160 1.00 0.00 H new ATOM 1580 N THR B 29 -5.675 -2.973 1.413 1.00 0.00 N ATOM 1581 CA THR B 29 -6.207 -4.220 2.034 1.00 0.00 C ATOM 1582 C THR B 29 -7.487 -4.645 1.312 1.00 0.00 C ATOM 1583 O THR B 29 -8.250 -3.813 0.862 1.00 0.00 O ATOM 1584 CB THR B 29 -6.505 -3.846 3.487 1.00 0.00 C ATOM 1585 OG1 THR B 29 -6.867 -5.015 4.210 1.00 0.00 O ATOM 1586 CG2 THR B 29 -7.654 -2.839 3.533 1.00 0.00 C ATOM 0 H THR B 29 -6.359 -2.227 1.288 1.00 0.00 H new ATOM 0 HA THR B 29 -5.507 -5.053 1.970 1.00 0.00 H new ATOM 0 HB THR B 29 -5.618 -3.400 3.936 1.00 0.00 H new ATOM 0 HG1 THR B 29 -7.057 -4.778 5.142 1.00 0.00 H new ATOM 0 HG21 THR B 29 -7.864 -2.574 4.569 1.00 0.00 H new ATOM 0 HG22 THR B 29 -7.375 -1.943 2.979 1.00 0.00 H new ATOM 0 HG23 THR B 29 -8.543 -3.281 3.084 1.00 0.00 H new ATOM 1594 N PRO B 30 -7.675 -5.931 1.216 1.00 0.00 N ATOM 1595 CA PRO B 30 -8.872 -6.475 0.529 1.00 0.00 C ATOM 1596 C PRO B 30 -10.133 -6.252 1.368 1.00 0.00 C ATOM 1597 O PRO B 30 -10.065 -5.758 2.477 1.00 0.00 O ATOM 1598 CB PRO B 30 -8.559 -7.964 0.395 1.00 0.00 C ATOM 1599 CG PRO B 30 -7.582 -8.255 1.491 1.00 0.00 C ATOM 1600 CD PRO B 30 -6.801 -6.990 1.733 1.00 0.00 C ATOM 0 HA PRO B 30 -9.067 -5.995 -0.430 1.00 0.00 H new ATOM 0 HB2 PRO B 30 -9.461 -8.568 0.499 1.00 0.00 H new ATOM 0 HB3 PRO B 30 -8.134 -8.192 -0.583 1.00 0.00 H new ATOM 0 HG2 PRO B 30 -8.101 -8.567 2.397 1.00 0.00 H new ATOM 0 HG3 PRO B 30 -6.917 -9.071 1.208 1.00 0.00 H new ATOM 0 HD2 PRO B 30 -6.587 -6.849 2.792 1.00 0.00 H new ATOM 0 HD3 PRO B 30 -5.843 -7.006 1.213 1.00 0.00 H new ATOM 1608 N PRO B 31 -11.248 -6.622 0.797 1.00 0.00 N ATOM 1609 CA PRO B 31 -12.555 -6.462 1.484 1.00 0.00 C ATOM 1610 C PRO B 31 -12.682 -7.451 2.645 1.00 0.00 C ATOM 1611 O PRO B 31 -11.707 -8.001 3.118 1.00 0.00 O ATOM 1612 CB PRO B 31 -13.573 -6.778 0.394 1.00 0.00 C ATOM 1613 CG PRO B 31 -12.840 -7.646 -0.578 1.00 0.00 C ATOM 1614 CD PRO B 31 -11.396 -7.223 -0.534 1.00 0.00 C ATOM 0 HA PRO B 31 -12.688 -5.470 1.916 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -14.443 -7.291 0.803 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -13.935 -5.868 -0.084 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -12.943 -8.698 -0.311 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -13.246 -7.530 -1.583 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -10.726 -8.073 -0.666 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -11.164 -6.508 -1.324 1.00 0.00 H new ATOM 1697 N THR B 38 -12.664 -3.994 -1.434 1.00 0.00 N ATOM 1698 CA THR B 38 -11.228 -3.670 -1.202 1.00 0.00 C ATOM 1699 C THR B 38 -11.096 -2.209 -0.770 1.00 0.00 C ATOM 1700 O THR B 38 -11.886 -1.369 -1.148 1.00 0.00 O ATOM 1701 CB THR B 38 -10.546 -3.890 -2.555 1.00 0.00 C ATOM 1702 OG1 THR B 38 -11.352 -4.743 -3.357 1.00 0.00 O ATOM 1703 CG2 THR B 38 -9.172 -4.532 -2.345 1.00 0.00 C ATOM 0 HA THR B 38 -10.782 -4.284 -0.420 1.00 0.00 H new ATOM 0 HB THR B 38 -10.420 -2.930 -3.056 1.00 0.00 H new ATOM 0 HG1 THR B 38 -12.245 -4.818 -2.960 1.00 0.00 H new ATOM 0 HG21 THR B 38 -8.691 -4.686 -3.311 1.00 0.00 H new ATOM 0 HG22 THR B 38 -8.554 -3.876 -1.732 1.00 0.00 H new ATOM 0 HG23 THR B 38 -9.292 -5.491 -1.842 1.00 0.00 H new ATOM 1711 N GLU B 39 -10.110 -1.898 0.023 1.00 0.00 N ATOM 1712 CA GLU B 39 -9.946 -0.489 0.475 1.00 0.00 C ATOM 1713 C GLU B 39 -8.464 -0.133 0.598 1.00 0.00 C ATOM 1714 O GLU B 39 -7.622 -0.992 0.768 1.00 0.00 O ATOM 1715 CB GLU B 39 -10.625 -0.437 1.841 1.00 0.00 C ATOM 1716 CG GLU B 39 -11.188 0.962 2.060 1.00 0.00 C ATOM 1717 CD GLU B 39 -11.055 1.346 3.534 1.00 0.00 C ATOM 1718 OE1 GLU B 39 -10.954 0.448 4.354 1.00 0.00 O ATOM 1719 OE2 GLU B 39 -11.058 2.532 3.819 1.00 0.00 O ATOM 0 H GLU B 39 -9.414 -2.554 0.376 1.00 0.00 H new ATOM 0 HA GLU B 39 -10.379 0.222 -0.228 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.424 -1.177 1.893 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.911 -0.683 2.627 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.655 1.681 1.437 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -12.235 0.994 1.759 1.00 0.00 H new ATOM 1726 N VAL B 40 -8.136 1.129 0.512 1.00 0.00 N ATOM 1727 CA VAL B 40 -6.704 1.528 0.625 1.00 0.00 C ATOM 1728 C VAL B 40 -6.491 2.440 1.834 1.00 0.00 C ATOM 1729 O VAL B 40 -7.428 2.902 2.455 1.00 0.00 O ATOM 1730 CB VAL B 40 -6.401 2.283 -0.668 1.00 0.00 C ATOM 1731 CG1 VAL B 40 -4.987 2.861 -0.607 1.00 0.00 C ATOM 1732 CG2 VAL B 40 -6.503 1.318 -1.847 1.00 0.00 C ATOM 0 H VAL B 40 -8.793 1.896 0.369 1.00 0.00 H new ATOM 0 HA VAL B 40 -6.051 0.666 0.763 1.00 0.00 H new ATOM 0 HB VAL B 40 -7.117 3.095 -0.792 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -4.774 3.399 -1.531 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -4.910 3.546 0.238 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -4.268 2.051 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -6.288 1.851 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -5.784 0.509 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -7.510 0.904 -1.892 1.00 0.00 H new ATOM 1742 N ILE B 41 -5.259 2.706 2.161 1.00 0.00 N ATOM 1743 CA ILE B 41 -4.955 3.591 3.318 1.00 0.00 C ATOM 1744 C ILE B 41 -3.681 4.377 3.021 1.00 0.00 C ATOM 1745 O ILE B 41 -2.620 3.815 2.847 1.00 0.00 O ATOM 1746 CB ILE B 41 -4.747 2.641 4.496 1.00 0.00 C ATOM 1747 CG1 ILE B 41 -6.103 2.276 5.104 1.00 0.00 C ATOM 1748 CG2 ILE B 41 -3.879 3.319 5.559 1.00 0.00 C ATOM 1749 CD1 ILE B 41 -6.005 0.913 5.791 1.00 0.00 C ATOM 0 H ILE B 41 -4.441 2.344 1.671 1.00 0.00 H new ATOM 0 HA ILE B 41 -5.744 4.313 3.525 1.00 0.00 H new ATOM 0 HB ILE B 41 -4.249 1.737 4.145 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -6.407 3.036 5.823 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -6.866 2.249 4.327 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -3.733 2.638 6.398 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -2.912 3.577 5.128 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -4.374 4.225 5.909 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -6.971 0.653 6.224 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -5.720 0.157 5.060 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -5.254 0.956 6.580 1.00 0.00 H new ATOM 1761 N ALA B 42 -3.779 5.671 2.940 1.00 0.00 N ATOM 1762 CA ALA B 42 -2.573 6.479 2.627 1.00 0.00 C ATOM 1763 C ALA B 42 -2.329 7.539 3.703 1.00 0.00 C ATOM 1764 O ALA B 42 -3.250 8.138 4.222 1.00 0.00 O ATOM 1765 CB ALA B 42 -2.902 7.147 1.296 1.00 0.00 C ATOM 0 H ALA B 42 -4.639 6.203 3.076 1.00 0.00 H new ATOM 0 HA ALA B 42 -1.671 5.869 2.584 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -2.063 7.769 0.984 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -3.088 6.383 0.541 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -3.791 7.768 1.410 1.00 0.00 H new ATOM 1771 N THR B 43 -1.089 7.788 4.022 1.00 0.00 N ATOM 1772 CA THR B 43 -0.774 8.824 5.043 1.00 0.00 C ATOM 1773 C THR B 43 -0.152 10.028 4.345 1.00 0.00 C ATOM 1774 O THR B 43 0.435 9.904 3.291 1.00 0.00 O ATOM 1775 CB THR B 43 0.236 8.173 5.990 1.00 0.00 C ATOM 1776 OG1 THR B 43 -0.400 7.130 6.716 1.00 0.00 O ATOM 1777 CG2 THR B 43 0.774 9.224 6.965 1.00 0.00 C ATOM 0 H THR B 43 -0.279 7.317 3.618 1.00 0.00 H new ATOM 0 HA THR B 43 -1.656 9.166 5.584 1.00 0.00 H new ATOM 0 HB THR B 43 1.063 7.760 5.412 1.00 0.00 H new ATOM 0 HG1 THR B 43 0.247 6.711 7.322 1.00 0.00 H new ATOM 0 HG21 THR B 43 1.494 8.760 7.640 1.00 0.00 H new ATOM 0 HG22 THR B 43 1.263 10.022 6.406 1.00 0.00 H new ATOM 0 HG23 THR B 43 -0.051 9.639 7.544 1.00 0.00 H new ATOM 1785 N LEU B 44 -0.294 11.194 4.901 1.00 0.00 N ATOM 1786 CA LEU B 44 0.270 12.399 4.237 1.00 0.00 C ATOM 1787 C LEU B 44 1.483 12.935 4.997 1.00 0.00 C ATOM 1788 O LEU B 44 1.822 12.464 6.065 1.00 0.00 O ATOM 1789 CB LEU B 44 -0.866 13.407 4.288 1.00 0.00 C ATOM 1790 CG LEU B 44 -2.123 12.784 3.689 1.00 0.00 C ATOM 1791 CD1 LEU B 44 -3.258 13.805 3.723 1.00 0.00 C ATOM 1792 CD2 LEU B 44 -1.843 12.375 2.244 1.00 0.00 C ATOM 0 H LEU B 44 -0.775 11.366 5.784 1.00 0.00 H new ATOM 0 HA LEU B 44 0.615 12.188 3.225 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -1.052 13.710 5.318 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -0.594 14.306 3.736 1.00 0.00 H new ATOM 0 HG LEU B 44 -2.410 11.905 4.266 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -4.158 13.363 3.296 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -3.453 14.098 4.755 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -2.975 14.683 3.143 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -2.739 11.929 1.812 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -1.560 13.254 1.665 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -1.030 11.649 2.222 1.00 0.00 H new ATOM 1804 N LYS B 45 2.141 13.922 4.446 1.00 0.00 N ATOM 1805 CA LYS B 45 3.334 14.494 5.128 1.00 0.00 C ATOM 1806 C LYS B 45 2.906 15.556 6.143 1.00 0.00 C ATOM 1807 O LYS B 45 2.425 16.613 5.786 1.00 0.00 O ATOM 1808 CB LYS B 45 4.165 15.128 4.012 1.00 0.00 C ATOM 1809 CG LYS B 45 5.427 14.296 3.780 1.00 0.00 C ATOM 1810 CD LYS B 45 6.260 14.266 5.063 1.00 0.00 C ATOM 1811 CE LYS B 45 7.733 14.499 4.723 1.00 0.00 C ATOM 1812 NZ LYS B 45 8.382 13.169 4.892 1.00 0.00 N ATOM 0 H LYS B 45 1.902 14.355 3.554 1.00 0.00 H new ATOM 0 HA LYS B 45 3.896 13.737 5.676 1.00 0.00 H new ATOM 0 HB2 LYS B 45 3.579 15.183 3.094 1.00 0.00 H new ATOM 0 HB3 LYS B 45 4.434 16.150 4.280 1.00 0.00 H new ATOM 0 HG2 LYS B 45 5.158 13.282 3.484 1.00 0.00 H new ATOM 0 HG3 LYS B 45 6.011 14.721 2.964 1.00 0.00 H new ATOM 0 HD2 LYS B 45 5.910 15.033 5.754 1.00 0.00 H new ATOM 0 HD3 LYS B 45 6.139 13.306 5.565 1.00 0.00 H new ATOM 0 HE2 LYS B 45 7.849 14.868 3.704 1.00 0.00 H new ATOM 0 HE3 LYS B 45 8.178 15.242 5.384 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 9.396 13.248 4.676 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 8.261 12.846 5.873 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 7.943 12.484 4.245 1.00 0.00 H new ATOM 1826 N GLY B 46 3.076 15.284 7.407 1.00 0.00 N ATOM 1827 CA GLY B 46 2.680 16.276 8.440 1.00 0.00 C ATOM 1828 C GLY B 46 1.955 15.567 9.585 1.00 0.00 C ATOM 1829 O GLY B 46 2.051 15.962 10.730 1.00 0.00 O ATOM 0 H GLY B 46 3.473 14.416 7.768 1.00 0.00 H new ATOM 0 HA2 GLY B 46 3.562 16.792 8.819 1.00 0.00 H new ATOM 0 HA3 GLY B 46 2.032 17.034 8.000 1.00 0.00 H new ATOM 1833 N GLY B 47 1.228 14.524 9.288 1.00 0.00 N ATOM 1834 CA GLY B 47 0.500 13.800 10.363 1.00 0.00 C ATOM 1835 C GLY B 47 -0.993 13.794 10.045 1.00 0.00 C ATOM 1836 O GLY B 47 -1.792 14.396 10.735 1.00 0.00 O ATOM 0 H GLY B 47 1.108 14.144 8.349 1.00 0.00 H new ATOM 0 HA2 GLY B 47 0.870 12.778 10.444 1.00 0.00 H new ATOM 0 HA3 GLY B 47 0.677 14.281 11.325 1.00 0.00 H new ATOM 1840 N GLN B 48 -1.371 13.118 9.001 1.00 0.00 N ATOM 1841 CA GLN B 48 -2.806 13.061 8.620 1.00 0.00 C ATOM 1842 C GLN B 48 -3.018 11.952 7.593 1.00 0.00 C ATOM 1843 O GLN B 48 -2.791 12.133 6.412 1.00 0.00 O ATOM 1844 CB GLN B 48 -3.114 14.428 8.012 1.00 0.00 C ATOM 1845 CG GLN B 48 -4.448 14.367 7.265 1.00 0.00 C ATOM 1846 CD GLN B 48 -4.752 15.737 6.655 1.00 0.00 C ATOM 1847 OE1 GLN B 48 -5.841 16.254 6.808 1.00 0.00 O ATOM 1848 NE2 GLN B 48 -3.829 16.349 5.964 1.00 0.00 N ATOM 0 H GLN B 48 -0.742 12.598 8.390 1.00 0.00 H new ATOM 0 HA GLN B 48 -3.457 12.846 9.468 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -3.158 15.184 8.796 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -2.316 14.722 7.330 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -4.405 13.610 6.482 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -5.246 14.075 7.947 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -2.915 15.914 5.836 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -4.022 17.262 5.552 1.00 0.00 H new ATOM 1857 N LYS B 49 -3.436 10.803 8.034 1.00 0.00 N ATOM 1858 CA LYS B 49 -3.647 9.674 7.088 1.00 0.00 C ATOM 1859 C LYS B 49 -5.133 9.392 6.913 1.00 0.00 C ATOM 1860 O LYS B 49 -5.976 9.957 7.581 1.00 0.00 O ATOM 1861 CB LYS B 49 -2.956 8.484 7.747 1.00 0.00 C ATOM 1862 CG LYS B 49 -3.318 7.185 7.023 1.00 0.00 C ATOM 1863 CD LYS B 49 -2.572 6.018 7.669 1.00 0.00 C ATOM 1864 CE LYS B 49 -3.493 5.311 8.665 1.00 0.00 C ATOM 1865 NZ LYS B 49 -2.767 5.364 9.964 1.00 0.00 N ATOM 0 H LYS B 49 -3.642 10.595 9.011 1.00 0.00 H new ATOM 0 HA LYS B 49 -3.250 9.889 6.096 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -1.876 8.628 7.730 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -3.252 8.418 8.794 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -4.394 7.016 7.073 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -3.056 7.259 5.968 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -2.240 5.317 6.904 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -1.679 6.381 8.178 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -4.460 5.810 8.732 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -3.686 4.282 8.362 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -3.336 4.898 10.699 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -1.854 4.875 9.872 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -2.603 6.356 10.230 1.00 0.00 H new ATOM 1879 N VAL B 50 -5.448 8.517 6.013 1.00 0.00 N ATOM 1880 CA VAL B 50 -6.880 8.175 5.767 1.00 0.00 C ATOM 1881 C VAL B 50 -6.987 6.947 4.853 1.00 0.00 C ATOM 1882 O VAL B 50 -6.033 6.219 4.665 1.00 0.00 O ATOM 1883 CB VAL B 50 -7.464 9.418 5.087 1.00 0.00 C ATOM 1884 CG1 VAL B 50 -7.174 9.372 3.585 1.00 0.00 C ATOM 1885 CG2 VAL B 50 -8.977 9.465 5.314 1.00 0.00 C ATOM 0 H VAL B 50 -4.777 8.017 5.430 1.00 0.00 H new ATOM 0 HA VAL B 50 -7.413 7.923 6.684 1.00 0.00 H new ATOM 0 HB VAL B 50 -7.005 10.309 5.515 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -7.591 10.258 3.107 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -6.096 9.346 3.423 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -7.627 8.479 3.154 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -9.390 10.350 4.830 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -9.436 8.572 4.891 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -9.183 9.507 6.383 1.00 0.00 H new ATOM 1895 N CYS B 51 -8.140 6.714 4.285 1.00 0.00 N ATOM 1896 CA CYS B 51 -8.305 5.538 3.388 1.00 0.00 C ATOM 1897 C CYS B 51 -8.451 6.005 1.941 1.00 0.00 C ATOM 1898 O CYS B 51 -8.936 7.087 1.676 1.00 0.00 O ATOM 1899 CB CYS B 51 -9.582 4.854 3.872 1.00 0.00 C ATOM 1900 SG CYS B 51 -9.214 3.862 5.341 1.00 0.00 S ATOM 0 H CYS B 51 -8.974 7.289 4.405 1.00 0.00 H new ATOM 0 HA CYS B 51 -7.450 4.863 3.417 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -10.342 5.600 4.105 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.989 4.220 3.084 1.00 0.00 H new ATOM 0 HG CYS B 51 -9.945 2.787 5.333 1.00 0.00 H new ATOM 1905 N LEU B 52 -8.008 5.215 1.003 1.00 0.00 N ATOM 1906 CA LEU B 52 -8.091 5.630 -0.411 1.00 0.00 C ATOM 1907 C LEU B 52 -9.126 4.798 -1.172 1.00 0.00 C ATOM 1908 O LEU B 52 -9.598 3.783 -0.698 1.00 0.00 O ATOM 1909 CB LEU B 52 -6.689 5.355 -0.933 1.00 0.00 C ATOM 1910 CG LEU B 52 -6.049 6.660 -1.394 1.00 0.00 C ATOM 1911 CD1 LEU B 52 -4.526 6.533 -1.318 1.00 0.00 C ATOM 1912 CD2 LEU B 52 -6.465 6.956 -2.836 1.00 0.00 C ATOM 0 H LEU B 52 -7.592 4.298 1.163 1.00 0.00 H new ATOM 0 HA LEU B 52 -8.402 6.668 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -6.083 4.897 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.731 4.647 -1.760 1.00 0.00 H new ATOM 0 HG LEU B 52 -6.381 7.474 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -4.066 7.465 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -4.229 6.325 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -4.196 5.718 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -6.006 7.889 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -6.136 6.143 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -7.550 7.047 -2.890 1.00 0.00 H new ATOM 1924 N ASP B 53 -9.471 5.239 -2.353 1.00 0.00 N ATOM 1925 CA ASP B 53 -10.473 4.512 -3.189 1.00 0.00 C ATOM 1926 C ASP B 53 -10.192 3.001 -3.186 1.00 0.00 C ATOM 1927 O ASP B 53 -9.470 2.507 -2.345 1.00 0.00 O ATOM 1928 CB ASP B 53 -10.283 5.099 -4.587 1.00 0.00 C ATOM 1929 CG ASP B 53 -11.631 5.573 -5.135 1.00 0.00 C ATOM 1930 OD1 ASP B 53 -12.525 5.803 -4.335 1.00 0.00 O ATOM 1931 OD2 ASP B 53 -11.748 5.697 -6.343 1.00 0.00 O ATOM 0 H ASP B 53 -9.095 6.085 -2.781 1.00 0.00 H new ATOM 0 HA ASP B 53 -11.492 4.629 -2.821 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -9.581 5.932 -4.550 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -9.853 4.349 -5.251 1.00 0.00 H new ATOM 1936 N PRO B 54 -10.774 2.309 -4.133 1.00 0.00 N ATOM 1937 CA PRO B 54 -10.578 0.849 -4.221 1.00 0.00 C ATOM 1938 C PRO B 54 -9.275 0.563 -4.961 1.00 0.00 C ATOM 1939 O PRO B 54 -9.257 0.391 -6.162 1.00 0.00 O ATOM 1940 CB PRO B 54 -11.787 0.377 -5.021 1.00 0.00 C ATOM 1941 CG PRO B 54 -12.224 1.561 -5.832 1.00 0.00 C ATOM 1942 CD PRO B 54 -11.648 2.811 -5.201 1.00 0.00 C ATOM 0 HA PRO B 54 -10.505 0.349 -3.255 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -11.527 -0.464 -5.664 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -12.585 0.038 -4.361 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -11.880 1.463 -6.862 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -13.312 1.619 -5.863 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -11.090 3.402 -5.927 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.433 3.454 -4.803 1.00 0.00 H new ATOM 1950 N GLU B 55 -8.178 0.548 -4.257 1.00 0.00 N ATOM 1951 CA GLU B 55 -6.879 0.320 -4.938 1.00 0.00 C ATOM 1952 C GLU B 55 -6.644 1.491 -5.887 1.00 0.00 C ATOM 1953 O GLU B 55 -5.892 1.404 -6.838 1.00 0.00 O ATOM 1954 CB GLU B 55 -7.046 -0.988 -5.716 1.00 0.00 C ATOM 1955 CG GLU B 55 -7.777 -2.015 -4.847 1.00 0.00 C ATOM 1956 CD GLU B 55 -9.082 -2.431 -5.530 1.00 0.00 C ATOM 1957 OE1 GLU B 55 -9.386 -1.877 -6.573 1.00 0.00 O ATOM 1958 OE2 GLU B 55 -9.754 -3.299 -4.999 1.00 0.00 O ATOM 0 H GLU B 55 -8.127 0.683 -3.247 1.00 0.00 H new ATOM 0 HA GLU B 55 -6.033 0.252 -4.254 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -7.607 -0.808 -6.633 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -6.070 -1.375 -6.010 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -7.144 -2.888 -4.688 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -7.988 -1.591 -3.865 1.00 0.00 H new ATOM 1965 N ALA B 56 -7.313 2.586 -5.634 1.00 0.00 N ATOM 1966 CA ALA B 56 -7.172 3.775 -6.514 1.00 0.00 C ATOM 1967 C ALA B 56 -7.188 3.328 -7.975 1.00 0.00 C ATOM 1968 O ALA B 56 -6.170 3.315 -8.634 1.00 0.00 O ATOM 1969 CB ALA B 56 -5.827 4.406 -6.138 1.00 0.00 C ATOM 0 H ALA B 56 -7.954 2.704 -4.850 1.00 0.00 H new ATOM 0 HA ALA B 56 -7.984 4.491 -6.389 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -5.657 5.292 -6.750 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -5.840 4.689 -5.086 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -5.027 3.686 -6.310 1.00 0.00 H new ATOM 1975 N PRO B 57 -8.362 2.972 -8.430 1.00 0.00 N ATOM 1976 CA PRO B 57 -8.533 2.517 -9.830 1.00 0.00 C ATOM 1977 C PRO B 57 -8.389 3.710 -10.768 1.00 0.00 C ATOM 1978 O PRO B 57 -7.338 3.948 -11.327 1.00 0.00 O ATOM 1979 CB PRO B 57 -9.955 1.963 -9.858 1.00 0.00 C ATOM 1980 CG PRO B 57 -10.662 2.663 -8.743 1.00 0.00 C ATOM 1981 CD PRO B 57 -9.628 2.968 -7.690 1.00 0.00 C ATOM 0 HA PRO B 57 -7.798 1.777 -10.147 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.437 2.159 -10.816 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -9.961 0.883 -9.713 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -11.132 3.580 -9.099 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.455 2.036 -8.335 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.815 3.930 -7.213 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.627 2.216 -6.901 1.00 0.00 H new ATOM 1989 N LEU B 58 -9.422 4.483 -10.927 1.00 0.00 N ATOM 1990 CA LEU B 58 -9.302 5.671 -11.806 1.00 0.00 C ATOM 1991 C LEU B 58 -8.022 6.415 -11.432 1.00 0.00 C ATOM 1992 O LEU B 58 -7.352 6.985 -12.270 1.00 0.00 O ATOM 1993 CB LEU B 58 -10.539 6.521 -11.506 1.00 0.00 C ATOM 1994 CG LEU B 58 -11.779 5.838 -12.083 1.00 0.00 C ATOM 1995 CD1 LEU B 58 -13.029 6.624 -11.683 1.00 0.00 C ATOM 1996 CD2 LEU B 58 -11.671 5.795 -13.609 1.00 0.00 C ATOM 0 H LEU B 58 -10.334 4.346 -10.492 1.00 0.00 H new ATOM 0 HA LEU B 58 -9.250 5.423 -12.866 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -10.651 6.652 -10.430 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -10.424 7.515 -11.938 1.00 0.00 H new ATOM 0 HG LEU B 58 -11.849 4.823 -11.693 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -13.913 6.136 -12.095 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -13.106 6.657 -10.596 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -12.960 7.640 -12.073 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -12.554 5.308 -14.023 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -11.601 6.811 -13.998 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -10.781 5.235 -13.895 1.00 0.00 H new ATOM 2008 N VAL B 59 -7.673 6.402 -10.169 1.00 0.00 N ATOM 2009 CA VAL B 59 -6.427 7.099 -9.736 1.00 0.00 C ATOM 2010 C VAL B 59 -5.229 6.142 -9.773 1.00 0.00 C ATOM 2011 O VAL B 59 -4.124 6.506 -9.423 1.00 0.00 O ATOM 2012 CB VAL B 59 -6.702 7.547 -8.305 1.00 0.00 C ATOM 2013 CG1 VAL B 59 -5.496 8.328 -7.784 1.00 0.00 C ATOM 2014 CG2 VAL B 59 -7.942 8.443 -8.282 1.00 0.00 C ATOM 0 H VAL B 59 -8.195 5.941 -9.424 1.00 0.00 H new ATOM 0 HA VAL B 59 -6.181 7.935 -10.391 1.00 0.00 H new ATOM 0 HB VAL B 59 -6.875 6.676 -7.673 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -5.686 8.651 -6.761 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.613 7.690 -7.804 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -5.328 9.201 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -8.140 8.764 -7.259 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -7.771 9.317 -8.910 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -8.800 7.887 -8.660 1.00 0.00 H new ATOM 2024 N GLN B 60 -5.435 4.922 -10.184 1.00 0.00 N ATOM 2025 CA GLN B 60 -4.302 3.953 -10.228 1.00 0.00 C ATOM 2026 C GLN B 60 -3.086 4.600 -10.887 1.00 0.00 C ATOM 2027 O GLN B 60 -1.965 4.430 -10.450 1.00 0.00 O ATOM 2028 CB GLN B 60 -4.812 2.777 -11.060 1.00 0.00 C ATOM 2029 CG GLN B 60 -4.136 1.488 -10.589 1.00 0.00 C ATOM 2030 CD GLN B 60 -4.854 0.964 -9.343 1.00 0.00 C ATOM 2031 OE1 GLN B 60 -6.067 0.895 -9.311 1.00 0.00 O ATOM 2032 NE2 GLN B 60 -4.152 0.588 -8.309 1.00 0.00 N ATOM 0 H GLN B 60 -6.335 4.554 -10.491 1.00 0.00 H new ATOM 0 HA GLN B 60 -3.990 3.634 -9.234 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -5.894 2.690 -10.961 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -4.601 2.946 -12.116 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -4.164 0.739 -11.381 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -3.086 1.676 -10.365 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -3.134 0.646 -8.335 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -4.621 0.236 -7.474 1.00 0.00 H new ATOM 2041 N LYS B 61 -3.299 5.350 -11.929 1.00 0.00 N ATOM 2042 CA LYS B 61 -2.153 6.017 -12.608 1.00 0.00 C ATOM 2043 C LYS B 61 -1.420 6.912 -11.611 1.00 0.00 C ATOM 2044 O LYS B 61 -0.282 6.671 -11.261 1.00 0.00 O ATOM 2045 CB LYS B 61 -2.780 6.852 -13.725 1.00 0.00 C ATOM 2046 CG LYS B 61 -2.581 6.143 -15.066 1.00 0.00 C ATOM 2047 CD LYS B 61 -3.904 5.520 -15.516 1.00 0.00 C ATOM 2048 CE LYS B 61 -4.276 6.054 -16.902 1.00 0.00 C ATOM 2049 NZ LYS B 61 -4.217 4.866 -17.799 1.00 0.00 N ATOM 0 H LYS B 61 -4.215 5.531 -12.341 1.00 0.00 H new ATOM 0 HA LYS B 61 -1.426 5.306 -13.001 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -3.843 6.997 -13.532 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -2.324 7.842 -13.754 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -2.227 6.852 -15.815 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -1.817 5.371 -14.971 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -3.815 4.434 -15.545 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -4.691 5.756 -14.800 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -5.271 6.499 -16.900 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -3.581 6.829 -17.226 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -4.460 5.151 -18.769 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -3.256 4.468 -17.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -4.894 4.148 -17.469 1.00 0.00 H new ATOM 2063 N ILE B 62 -2.071 7.937 -11.139 1.00 0.00 N ATOM 2064 CA ILE B 62 -1.420 8.841 -10.151 1.00 0.00 C ATOM 2065 C ILE B 62 -0.827 8.009 -9.013 1.00 0.00 C ATOM 2066 O ILE B 62 0.150 8.387 -8.398 1.00 0.00 O ATOM 2067 CB ILE B 62 -2.542 9.748 -9.645 1.00 0.00 C ATOM 2068 CG1 ILE B 62 -3.102 10.563 -10.813 1.00 0.00 C ATOM 2069 CG2 ILE B 62 -1.993 10.700 -8.581 1.00 0.00 C ATOM 2070 CD1 ILE B 62 -4.122 11.576 -10.289 1.00 0.00 C ATOM 0 H ILE B 62 -3.026 8.188 -11.394 1.00 0.00 H new ATOM 0 HA ILE B 62 -0.604 9.422 -10.580 1.00 0.00 H new ATOM 0 HB ILE B 62 -3.333 9.137 -9.211 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -2.293 11.080 -11.330 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -3.572 9.900 -11.540 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -2.795 11.345 -8.222 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -1.592 10.122 -7.748 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -1.201 11.311 -9.014 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -4.520 12.156 -11.122 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -4.936 11.049 -9.792 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -3.637 12.246 -9.579 1.00 0.00 H new ATOM 2082 N ILE B 63 -1.397 6.865 -8.745 1.00 0.00 N ATOM 2083 CA ILE B 63 -0.850 5.997 -7.671 1.00 0.00 C ATOM 2084 C ILE B 63 0.450 5.384 -8.168 1.00 0.00 C ATOM 2085 O ILE B 63 1.501 5.572 -7.590 1.00 0.00 O ATOM 2086 CB ILE B 63 -1.925 4.930 -7.446 1.00 0.00 C ATOM 2087 CG1 ILE B 63 -2.642 5.215 -6.130 1.00 0.00 C ATOM 2088 CG2 ILE B 63 -1.287 3.543 -7.395 1.00 0.00 C ATOM 2089 CD1 ILE B 63 -3.061 6.683 -6.109 1.00 0.00 C ATOM 0 H ILE B 63 -2.218 6.497 -9.225 1.00 0.00 H new ATOM 0 HA ILE B 63 -0.629 6.526 -6.744 1.00 0.00 H new ATOM 0 HB ILE B 63 -2.639 4.957 -8.269 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.516 4.571 -6.029 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -1.986 4.997 -5.287 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.061 2.792 -7.235 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.777 3.342 -8.337 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.568 3.503 -6.577 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.575 6.901 -5.173 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.177 7.315 -6.193 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.730 6.882 -6.946 1.00 0.00 H new ATOM 2101 N GLN B 64 0.391 4.683 -9.259 1.00 0.00 N ATOM 2102 CA GLN B 64 1.637 4.096 -9.813 1.00 0.00 C ATOM 2103 C GLN B 64 2.689 5.200 -9.840 1.00 0.00 C ATOM 2104 O GLN B 64 3.863 4.972 -9.624 1.00 0.00 O ATOM 2105 CB GLN B 64 1.272 3.632 -11.228 1.00 0.00 C ATOM 2106 CG GLN B 64 1.766 4.648 -12.262 1.00 0.00 C ATOM 2107 CD GLN B 64 1.176 4.313 -13.632 1.00 0.00 C ATOM 2108 OE1 GLN B 64 0.598 5.162 -14.282 1.00 0.00 O ATOM 2109 NE2 GLN B 64 1.294 3.102 -14.102 1.00 0.00 N ATOM 0 H GLN B 64 -0.459 4.491 -9.789 1.00 0.00 H new ATOM 0 HA GLN B 64 2.033 3.262 -9.233 1.00 0.00 H new ATOM 0 HB2 GLN B 64 1.717 2.657 -11.425 1.00 0.00 H new ATOM 0 HB3 GLN B 64 0.192 3.513 -11.312 1.00 0.00 H new ATOM 0 HG2 GLN B 64 1.474 5.655 -11.965 1.00 0.00 H new ATOM 0 HG3 GLN B 64 2.855 4.633 -12.310 1.00 0.00 H new ATOM 0 HE21 GLN B 64 1.779 2.389 -13.558 1.00 0.00 H new ATOM 0 HE22 GLN B 64 0.901 2.868 -15.014 1.00 0.00 H new ATOM 2118 N LYS B 65 2.253 6.408 -10.072 1.00 0.00 N ATOM 2119 CA LYS B 65 3.198 7.554 -10.081 1.00 0.00 C ATOM 2120 C LYS B 65 3.755 7.736 -8.672 1.00 0.00 C ATOM 2121 O LYS B 65 4.919 8.030 -8.481 1.00 0.00 O ATOM 2122 CB LYS B 65 2.357 8.764 -10.491 1.00 0.00 C ATOM 2123 CG LYS B 65 3.240 9.773 -11.228 1.00 0.00 C ATOM 2124 CD LYS B 65 3.461 11.001 -10.342 1.00 0.00 C ATOM 2125 CE LYS B 65 2.107 11.605 -9.961 1.00 0.00 C ATOM 2126 NZ LYS B 65 2.273 13.073 -10.154 1.00 0.00 N ATOM 0 H LYS B 65 1.279 6.649 -10.256 1.00 0.00 H new ATOM 0 HA LYS B 65 4.040 7.412 -10.759 1.00 0.00 H new ATOM 0 HB2 LYS B 65 1.534 8.448 -11.132 1.00 0.00 H new ATOM 0 HB3 LYS B 65 1.914 9.228 -9.610 1.00 0.00 H new ATOM 0 HG2 LYS B 65 4.197 9.317 -11.482 1.00 0.00 H new ATOM 0 HG3 LYS B 65 2.769 10.068 -12.166 1.00 0.00 H new ATOM 0 HD2 LYS B 65 4.012 10.721 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS B 65 4.065 11.739 -10.869 1.00 0.00 H new ATOM 0 HE2 LYS B 65 1.308 11.212 -10.590 1.00 0.00 H new ATOM 0 HE3 LYS B 65 1.846 11.369 -8.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 1.385 13.557 -9.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 3.035 13.420 -9.538 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 2.515 13.268 -11.147 1.00 0.00 H new ATOM 2140 N ILE B 66 2.929 7.538 -7.681 1.00 0.00 N ATOM 2141 CA ILE B 66 3.401 7.671 -6.276 1.00 0.00 C ATOM 2142 C ILE B 66 4.301 6.481 -5.943 1.00 0.00 C ATOM 2143 O ILE B 66 5.272 6.598 -5.222 1.00 0.00 O ATOM 2144 CB ILE B 66 2.131 7.669 -5.419 1.00 0.00 C ATOM 2145 CG1 ILE B 66 2.287 8.682 -4.282 1.00 0.00 C ATOM 2146 CG2 ILE B 66 1.892 6.277 -4.825 1.00 0.00 C ATOM 2147 CD1 ILE B 66 3.565 8.375 -3.497 1.00 0.00 C ATOM 0 H ILE B 66 1.945 7.289 -7.786 1.00 0.00 H new ATOM 0 HA ILE B 66 3.982 8.577 -6.102 1.00 0.00 H new ATOM 0 HB ILE B 66 1.281 7.938 -6.046 1.00 0.00 H new ATOM 0 HG12 ILE B 66 2.329 9.694 -4.685 1.00 0.00 H new ATOM 0 HG13 ILE B 66 1.422 8.638 -3.620 1.00 0.00 H new ATOM 0 HG21 ILE B 66 0.986 6.291 -4.219 1.00 0.00 H new ATOM 0 HG22 ILE B 66 1.778 5.552 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE B 66 2.741 5.996 -4.202 1.00 0.00 H new ATOM 0 HD11 ILE B 66 3.677 9.096 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE B 66 3.504 7.369 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE B 66 4.426 8.441 -4.163 1.00 0.00 H new ATOM 2159 N LEU B 67 3.986 5.340 -6.487 1.00 0.00 N ATOM 2160 CA LEU B 67 4.813 4.131 -6.240 1.00 0.00 C ATOM 2161 C LEU B 67 6.081 4.207 -7.087 1.00 0.00 C ATOM 2162 O LEU B 67 7.155 3.834 -6.661 1.00 0.00 O ATOM 2163 CB LEU B 67 3.935 2.961 -6.686 1.00 0.00 C ATOM 2164 CG LEU B 67 3.104 2.466 -5.501 1.00 0.00 C ATOM 2165 CD1 LEU B 67 1.746 3.170 -5.504 1.00 0.00 C ATOM 2166 CD2 LEU B 67 2.895 0.955 -5.622 1.00 0.00 C ATOM 0 H LEU B 67 3.183 5.194 -7.098 1.00 0.00 H new ATOM 0 HA LEU B 67 5.122 4.030 -5.200 1.00 0.00 H new ATOM 0 HB2 LEU B 67 3.279 3.274 -7.498 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.556 2.152 -7.071 1.00 0.00 H new ATOM 0 HG LEU B 67 3.627 2.687 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU B 67 1.152 2.819 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.894 4.247 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.223 2.947 -6.434 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.303 0.601 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.371 0.734 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.862 0.453 -5.623 1.00 0.00 H new ATOM 2178 N ASN B 68 5.955 4.696 -8.288 1.00 0.00 N ATOM 2179 CA ASN B 68 7.138 4.810 -9.179 1.00 0.00 C ATOM 2180 C ASN B 68 7.812 6.173 -8.992 1.00 0.00 C ATOM 2181 O ASN B 68 8.747 6.513 -9.689 1.00 0.00 O ATOM 2182 CB ASN B 68 6.575 4.678 -10.591 1.00 0.00 C ATOM 2183 CG ASN B 68 7.470 3.749 -11.413 1.00 0.00 C ATOM 2184 OD1 ASN B 68 8.357 4.201 -12.109 1.00 0.00 O ATOM 2185 ND2 ASN B 68 7.272 2.460 -11.362 1.00 0.00 N ATOM 0 H ASN B 68 5.077 5.023 -8.692 1.00 0.00 H new ATOM 0 HA ASN B 68 7.894 4.053 -8.967 1.00 0.00 H new ATOM 0 HB2 ASN B 68 5.560 4.283 -10.554 1.00 0.00 H new ATOM 0 HB3 ASN B 68 6.518 5.658 -11.064 1.00 0.00 H new ATOM 0 HD21 ASN B 68 7.862 1.831 -11.907 1.00 0.00 H new ATOM 0 HD22 ASN B 68 6.527 2.081 -10.777 1.00 0.00 H new ATOM 2192 N LYS B 69 7.343 6.960 -8.057 1.00 0.00 N ATOM 2193 CA LYS B 69 7.960 8.300 -7.833 1.00 0.00 C ATOM 2194 C LYS B 69 9.263 8.166 -7.050 1.00 0.00 C ATOM 2195 O LYS B 69 9.828 9.136 -6.584 1.00 0.00 O ATOM 2196 CB LYS B 69 6.924 9.096 -7.038 1.00 0.00 C ATOM 2197 CG LYS B 69 6.418 10.265 -7.885 1.00 0.00 C ATOM 2198 CD LYS B 69 7.134 11.550 -7.462 1.00 0.00 C ATOM 2199 CE LYS B 69 6.129 12.703 -7.413 1.00 0.00 C ATOM 2200 NZ LYS B 69 6.949 13.914 -7.132 1.00 0.00 N ATOM 0 H LYS B 69 6.562 6.733 -7.442 1.00 0.00 H new ATOM 0 HA LYS B 69 8.212 8.795 -8.771 1.00 0.00 H new ATOM 0 HB2 LYS B 69 6.092 8.451 -6.756 1.00 0.00 H new ATOM 0 HB3 LYS B 69 7.366 9.468 -6.114 1.00 0.00 H new ATOM 0 HG2 LYS B 69 6.598 10.067 -8.942 1.00 0.00 H new ATOM 0 HG3 LYS B 69 5.341 10.378 -7.761 1.00 0.00 H new ATOM 0 HD2 LYS B 69 7.597 11.416 -6.484 1.00 0.00 H new ATOM 0 HD3 LYS B 69 7.934 11.781 -8.165 1.00 0.00 H new ATOM 0 HE2 LYS B 69 5.592 12.800 -8.357 1.00 0.00 H new ATOM 0 HE3 LYS B 69 5.382 12.543 -6.636 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 6.330 14.749 -7.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 7.443 13.796 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 7.647 14.045 -7.892 1.00 0.00 H new