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= -2.71! USER MOD Set 1.2: B 43 THR OG1 : rot 180:sc= -0.633 USER MOD Set 2.1: A 27 SER OG : rot 56:sc= 1.15 USER MOD Set 2.2: B 27 SER OG : rot 180:sc= 1.02 USER MOD Set 3.1: A 25 SER OG : rot 180:sc= -2.71! USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= -0.645 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -3.51! K(o=-3.5!,f=-2.6) USER MOD Single : A 24 GLN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 36:sc= 0.84 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot -84:sc= 0.481 USER MOD Single : A 60 GLN : amide:sc= -7.28! C(o=-7.3!,f=-11!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -2.81! K(o=-2.8!,f=-1.5) USER MOD Single : A 69 LYS NZ :NH3+ -164:sc= -0.792 (180deg=-1.24) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -3.57! K(o=-3.6!,f=-2.6) USER MOD Single : B 24 GLN : amide:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : B 29 THR OG1 : rot 180:sc= 0 USER MOD Single : B 38 THR OG1 : rot 23:sc= 0.852 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 CYS SG : rot -88:sc= 0.359 USER MOD Single : B 60 GLN : amide:sc= -7.21! C(o=-7.2!,f=-12!) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 ASN : amide:sc= -2.73! K(o=-2.7!,f=-1.5) USER MOD Single : B 69 LYS NZ :NH3+ -168:sc= -0.845 (180deg=-1.14) USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 15.853 -6.701 3.899 1.00 0.00 N ATOM 178 CA LYS A 13 15.589 -6.929 2.452 1.00 0.00 C ATOM 179 C LYS A 13 14.096 -6.764 2.157 1.00 0.00 C ATOM 180 O LYS A 13 13.327 -6.359 3.006 1.00 0.00 O ATOM 181 CB LYS A 13 16.028 -8.371 2.198 1.00 0.00 C ATOM 182 CG LYS A 13 17.531 -8.407 1.915 1.00 0.00 C ATOM 183 CD LYS A 13 18.020 -9.857 1.941 1.00 0.00 C ATOM 184 CE LYS A 13 18.074 -10.354 3.388 1.00 0.00 C ATOM 185 NZ LYS A 13 19.095 -11.439 3.385 1.00 0.00 N ATOM 0 HA LYS A 13 16.119 -6.221 1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.796 -8.991 3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.478 -8.786 1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.740 -7.959 0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 13 18.066 -7.818 2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.352 -10.487 1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 13 19.007 -9.927 1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 13 18.353 -9.551 4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 13 17.103 -10.727 3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 19.189 -11.830 4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 18.799 -12.192 2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 20.011 -11.053 3.077 1.00 0.00 H new ATOM 199 N THR A 14 13.681 -7.076 0.961 1.00 0.00 N ATOM 200 CA THR A 14 12.243 -6.942 0.610 1.00 0.00 C ATOM 201 C THR A 14 11.867 -7.988 -0.440 1.00 0.00 C ATOM 202 O THR A 14 12.716 -8.528 -1.121 1.00 0.00 O ATOM 203 CB THR A 14 12.107 -5.539 0.028 1.00 0.00 C ATOM 204 OG1 THR A 14 13.379 -5.086 -0.415 1.00 0.00 O ATOM 205 CG2 THR A 14 11.566 -4.590 1.097 1.00 0.00 C ATOM 0 H THR A 14 14.280 -7.419 0.210 1.00 0.00 H new ATOM 0 HA THR A 14 11.590 -7.093 1.470 1.00 0.00 H new ATOM 0 HB THR A 14 11.416 -5.561 -0.815 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.293 -4.185 -0.791 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.470 -3.588 0.679 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.589 -4.939 1.432 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.253 -4.566 1.943 1.00 0.00 H new ATOM 213 N LEU A 15 10.606 -8.282 -0.576 1.00 0.00 N ATOM 214 CA LEU A 15 10.187 -9.293 -1.578 1.00 0.00 C ATOM 215 C LEU A 15 9.469 -8.619 -2.746 1.00 0.00 C ATOM 216 O LEU A 15 8.799 -7.621 -2.573 1.00 0.00 O ATOM 217 CB LEU A 15 9.232 -10.205 -0.821 1.00 0.00 C ATOM 218 CG LEU A 15 9.991 -10.911 0.301 1.00 0.00 C ATOM 219 CD1 LEU A 15 9.714 -10.206 1.629 1.00 0.00 C ATOM 220 CD2 LEU A 15 9.526 -12.363 0.388 1.00 0.00 C ATOM 0 H LEU A 15 9.848 -7.865 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 15 11.032 -9.836 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.407 -9.624 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.797 -10.939 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 15 11.061 -10.881 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.256 -10.711 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.043 -9.169 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.645 -10.235 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.065 -12.870 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.457 -12.391 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.724 -12.866 -0.559 1.00 0.00 H new ATOM 232 N PRO A 16 9.632 -9.198 -3.899 1.00 0.00 N ATOM 233 CA PRO A 16 8.994 -8.664 -5.117 1.00 0.00 C ATOM 234 C PRO A 16 7.550 -9.157 -5.195 1.00 0.00 C ATOM 235 O PRO A 16 6.755 -8.671 -5.973 1.00 0.00 O ATOM 236 CB PRO A 16 9.831 -9.260 -6.243 1.00 0.00 C ATOM 237 CG PRO A 16 10.432 -10.512 -5.679 1.00 0.00 C ATOM 238 CD PRO A 16 10.426 -10.397 -4.173 1.00 0.00 C ATOM 0 HA PRO A 16 8.957 -7.575 -5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.215 -9.479 -7.115 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.606 -8.564 -6.566 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.861 -11.385 -5.997 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.449 -10.645 -6.047 1.00 0.00 H new ATOM 0 HD2 PRO A 16 9.985 -11.279 -3.710 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.438 -10.302 -3.778 1.00 0.00 H new ATOM 246 N ARG A 17 7.212 -10.127 -4.392 1.00 0.00 N ATOM 247 CA ARG A 17 5.828 -10.672 -4.412 1.00 0.00 C ATOM 248 C ARG A 17 5.634 -11.615 -3.222 1.00 0.00 C ATOM 249 O ARG A 17 5.551 -12.817 -3.376 1.00 0.00 O ATOM 250 CB ARG A 17 5.737 -11.439 -5.730 1.00 0.00 C ATOM 251 CG ARG A 17 4.449 -12.261 -5.756 1.00 0.00 C ATOM 252 CD ARG A 17 4.714 -13.606 -6.437 1.00 0.00 C ATOM 253 NE ARG A 17 4.766 -13.296 -7.892 1.00 0.00 N ATOM 254 CZ ARG A 17 5.847 -13.552 -8.577 1.00 0.00 C ATOM 255 NH1 ARG A 17 6.012 -14.726 -9.121 1.00 0.00 N ATOM 256 NH2 ARG A 17 6.762 -12.632 -8.719 1.00 0.00 N ATOM 0 H ARG A 17 7.839 -10.567 -3.719 1.00 0.00 H new ATOM 0 HA ARG A 17 5.063 -9.899 -4.338 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.754 -10.744 -6.569 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.601 -12.094 -5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.087 -12.421 -4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.670 -11.718 -6.291 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.651 -14.045 -6.093 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.925 -14.324 -6.214 1.00 0.00 H new ATOM 0 HE ARG A 17 3.956 -12.883 -8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.296 -15.444 -9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.857 -14.926 -9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.632 -11.714 -8.295 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.607 -12.832 -9.254 1.00 0.00 H new ATOM 270 N VAL A 18 5.560 -11.075 -2.037 1.00 0.00 N ATOM 271 CA VAL A 18 5.362 -11.941 -0.832 1.00 0.00 C ATOM 272 C VAL A 18 4.262 -12.961 -1.113 1.00 0.00 C ATOM 273 O VAL A 18 3.679 -12.956 -2.175 1.00 0.00 O ATOM 274 CB VAL A 18 4.934 -10.979 0.278 1.00 0.00 C ATOM 275 CG1 VAL A 18 4.995 -11.697 1.623 1.00 0.00 C ATOM 276 CG2 VAL A 18 5.880 -9.776 0.305 1.00 0.00 C ATOM 0 H VAL A 18 5.627 -10.075 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 18 6.259 -12.498 -0.560 1.00 0.00 H new ATOM 0 HB VAL A 18 3.916 -10.639 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.690 -11.013 2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.324 -12.556 1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.014 -12.036 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.575 -9.091 1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.898 -10.118 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.842 -9.262 -0.655 1.00 0.00 H new ATOM 286 N ASP A 19 3.960 -13.827 -0.179 1.00 0.00 N ATOM 287 CA ASP A 19 2.879 -14.819 -0.419 1.00 0.00 C ATOM 288 C ASP A 19 1.683 -14.073 -1.003 1.00 0.00 C ATOM 289 O ASP A 19 0.657 -13.899 -0.376 1.00 0.00 O ATOM 290 CB ASP A 19 2.573 -15.389 0.960 1.00 0.00 C ATOM 291 CG ASP A 19 1.648 -16.598 0.828 1.00 0.00 C ATOM 292 OD1 ASP A 19 1.428 -17.032 -0.291 1.00 0.00 O ATOM 293 OD2 ASP A 19 1.174 -17.073 1.847 1.00 0.00 O ATOM 0 H ASP A 19 4.414 -13.887 0.732 1.00 0.00 H new ATOM 0 HA ASP A 19 3.141 -15.615 -1.116 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.499 -15.680 1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.104 -14.627 1.582 1.00 0.00 H new ATOM 298 N PHE A 20 1.855 -13.591 -2.196 1.00 0.00 N ATOM 299 CA PHE A 20 0.811 -12.792 -2.880 1.00 0.00 C ATOM 300 C PHE A 20 -0.602 -13.264 -2.570 1.00 0.00 C ATOM 301 O PHE A 20 -1.323 -12.636 -1.823 1.00 0.00 O ATOM 302 CB PHE A 20 1.118 -12.958 -4.360 1.00 0.00 C ATOM 303 CG PHE A 20 1.027 -11.610 -4.997 1.00 0.00 C ATOM 304 CD1 PHE A 20 2.102 -10.724 -4.905 1.00 0.00 C ATOM 305 CD2 PHE A 20 -0.143 -11.234 -5.650 1.00 0.00 C ATOM 306 CE1 PHE A 20 2.009 -9.457 -5.476 1.00 0.00 C ATOM 307 CE2 PHE A 20 -0.245 -9.970 -6.218 1.00 0.00 C ATOM 308 CZ PHE A 20 0.837 -9.077 -6.132 1.00 0.00 C ATOM 0 H PHE A 20 2.706 -13.723 -2.743 1.00 0.00 H new ATOM 0 HA PHE A 20 0.835 -11.755 -2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.113 -13.380 -4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.412 -13.648 -4.822 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.005 -11.021 -4.392 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.971 -11.924 -5.715 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.841 -8.771 -5.411 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.152 -9.675 -6.724 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.761 -8.095 -6.574 1.00 0.00 H new ATOM 318 N LYS A 21 -1.022 -14.336 -3.160 1.00 0.00 N ATOM 319 CA LYS A 21 -2.409 -14.800 -2.915 1.00 0.00 C ATOM 320 C LYS A 21 -2.761 -14.648 -1.430 1.00 0.00 C ATOM 321 O LYS A 21 -3.914 -14.535 -1.065 1.00 0.00 O ATOM 322 CB LYS A 21 -2.423 -16.271 -3.333 1.00 0.00 C ATOM 323 CG LYS A 21 -2.976 -16.392 -4.755 1.00 0.00 C ATOM 324 CD LYS A 21 -4.130 -17.396 -4.770 1.00 0.00 C ATOM 325 CE LYS A 21 -5.460 -16.643 -4.866 1.00 0.00 C ATOM 326 NZ LYS A 21 -6.482 -17.699 -5.112 1.00 0.00 N ATOM 0 H LYS A 21 -0.471 -14.910 -3.798 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.144 -14.220 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.415 -16.683 -3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.036 -16.851 -2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.321 -15.420 -5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.189 -16.716 -5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.023 -18.076 -5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.109 -18.004 -3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.671 -16.095 -3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.443 -15.913 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.422 -17.261 -5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.259 -18.199 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.480 -18.375 -4.322 1.00 0.00 H new ATOM 340 N ASN A 22 -1.774 -14.641 -0.570 1.00 0.00 N ATOM 341 CA ASN A 22 -2.048 -14.492 0.884 1.00 0.00 C ATOM 342 C ASN A 22 -1.995 -13.020 1.287 1.00 0.00 C ATOM 343 O ASN A 22 -2.595 -12.611 2.260 1.00 0.00 O ATOM 344 CB ASN A 22 -0.922 -15.256 1.561 1.00 0.00 C ATOM 345 CG ASN A 22 -1.508 -16.296 2.518 1.00 0.00 C ATOM 346 OD1 ASN A 22 -2.445 -16.991 2.175 1.00 0.00 O ATOM 347 ND2 ASN A 22 -0.995 -16.437 3.709 1.00 0.00 N ATOM 0 H ASN A 22 -0.789 -14.733 -0.817 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.035 -14.863 1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.300 -15.746 0.812 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.279 -14.566 2.107 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.380 -17.130 4.351 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.209 -15.855 3.998 1.00 0.00 H new ATOM 354 N ILE A 23 -1.266 -12.228 0.551 1.00 0.00 N ATOM 355 CA ILE A 23 -1.152 -10.783 0.892 1.00 0.00 C ATOM 356 C ILE A 23 -2.486 -10.253 1.433 1.00 0.00 C ATOM 357 O ILE A 23 -3.440 -10.077 0.701 1.00 0.00 O ATOM 358 CB ILE A 23 -0.772 -10.097 -0.427 1.00 0.00 C ATOM 359 CG1 ILE A 23 0.702 -9.687 -0.378 1.00 0.00 C ATOM 360 CG2 ILE A 23 -1.634 -8.855 -0.649 1.00 0.00 C ATOM 361 CD1 ILE A 23 1.564 -10.919 -0.107 1.00 0.00 C ATOM 0 H ILE A 23 -0.743 -12.520 -0.274 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.413 -10.595 1.671 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.938 -10.794 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.994 -9.226 -1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.858 -8.942 0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.352 -8.380 -1.589 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.684 -9.144 -0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.481 -8.155 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.614 -10.628 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.278 -11.360 0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.416 -11.649 -0.903 1.00 0.00 H new ATOM 373 N GLN A 24 -2.555 -10.000 2.711 1.00 0.00 N ATOM 374 CA GLN A 24 -3.825 -9.483 3.305 1.00 0.00 C ATOM 375 C GLN A 24 -3.827 -7.952 3.316 1.00 0.00 C ATOM 376 O GLN A 24 -4.848 -7.326 3.517 1.00 0.00 O ATOM 377 CB GLN A 24 -3.848 -10.031 4.732 1.00 0.00 C ATOM 378 CG GLN A 24 -5.147 -9.606 5.421 1.00 0.00 C ATOM 379 CD GLN A 24 -4.871 -9.316 6.897 1.00 0.00 C ATOM 380 OE1 GLN A 24 -5.281 -8.297 7.415 1.00 0.00 O ATOM 381 NE2 GLN A 24 -4.188 -10.176 7.603 1.00 0.00 N ATOM 0 H GLN A 24 -1.788 -10.128 3.371 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.700 -9.793 2.735 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.771 -11.118 4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.989 -9.658 5.290 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.555 -8.720 4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.895 -10.393 5.328 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.843 -11.032 7.169 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.999 -9.992 8.588 1.00 0.00 H new ATOM 390 N SER A 25 -2.695 -7.345 3.099 1.00 0.00 N ATOM 391 CA SER A 25 -2.640 -5.855 3.091 1.00 0.00 C ATOM 392 C SER A 25 -1.301 -5.385 2.520 1.00 0.00 C ATOM 393 O SER A 25 -0.252 -5.866 2.896 1.00 0.00 O ATOM 394 CB SER A 25 -2.777 -5.437 4.554 1.00 0.00 C ATOM 395 OG SER A 25 -2.606 -6.576 5.387 1.00 0.00 O ATOM 0 H SER A 25 -1.806 -7.814 2.927 1.00 0.00 H new ATOM 0 HA SER A 25 -3.424 -5.417 2.473 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.033 -4.679 4.798 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.756 -4.990 4.726 1.00 0.00 H new ATOM 0 HG SER A 25 -2.692 -6.310 6.326 1.00 0.00 H new ATOM 401 N LEU A 26 -1.328 -4.452 1.614 1.00 0.00 N ATOM 402 CA LEU A 26 -0.054 -3.957 1.015 1.00 0.00 C ATOM 403 C LEU A 26 0.211 -2.515 1.442 1.00 0.00 C ATOM 404 O LEU A 26 -0.694 -1.713 1.532 1.00 0.00 O ATOM 405 CB LEU A 26 -0.273 -4.024 -0.499 1.00 0.00 C ATOM 406 CG LEU A 26 0.213 -5.369 -1.037 1.00 0.00 C ATOM 407 CD1 LEU A 26 1.738 -5.351 -1.161 1.00 0.00 C ATOM 408 CD2 LEU A 26 -0.211 -6.484 -0.080 1.00 0.00 C ATOM 0 H LEU A 26 -2.176 -4.008 1.260 1.00 0.00 H new ATOM 0 HA LEU A 26 0.803 -4.549 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.330 -3.892 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.263 -3.211 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.226 -5.547 -2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.083 -6.311 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.038 -4.557 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.181 -5.172 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.135 -7.444 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.227 -6.306 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.298 -6.498 0.004 1.00 0.00 H new ATOM 420 N SER A 27 1.445 -2.177 1.698 1.00 0.00 N ATOM 421 CA SER A 27 1.763 -0.783 2.110 1.00 0.00 C ATOM 422 C SER A 27 2.937 -0.248 1.284 1.00 0.00 C ATOM 423 O SER A 27 3.825 -0.985 0.908 1.00 0.00 O ATOM 424 CB SER A 27 2.141 -0.889 3.584 1.00 0.00 C ATOM 425 OG SER A 27 1.271 -0.070 4.353 1.00 0.00 O ATOM 0 H SER A 27 2.246 -2.806 1.639 1.00 0.00 H new ATOM 0 HA SER A 27 0.929 -0.099 1.954 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.071 -1.925 3.915 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.175 -0.577 3.729 1.00 0.00 H new ATOM 0 HG SER A 27 0.341 -0.325 4.177 1.00 0.00 H new ATOM 431 N VAL A 28 2.952 1.024 0.992 1.00 0.00 N ATOM 432 CA VAL A 28 4.076 1.583 0.186 1.00 0.00 C ATOM 433 C VAL A 28 4.580 2.887 0.806 1.00 0.00 C ATOM 434 O VAL A 28 3.879 3.878 0.846 1.00 0.00 O ATOM 435 CB VAL A 28 3.481 1.839 -1.200 1.00 0.00 C ATOM 436 CG1 VAL A 28 4.370 2.818 -1.969 1.00 0.00 C ATOM 437 CG2 VAL A 28 3.398 0.518 -1.967 1.00 0.00 C ATOM 0 H VAL A 28 2.240 1.697 1.274 1.00 0.00 H new ATOM 0 HA VAL A 28 4.929 0.906 0.144 1.00 0.00 H new ATOM 0 HB VAL A 28 2.483 2.265 -1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.944 2.998 -2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.432 3.759 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.369 2.395 -2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.974 0.697 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.397 0.095 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.763 -0.180 -1.421 1.00 0.00 H new ATOM 447 N THR A 29 5.793 2.900 1.283 1.00 0.00 N ATOM 448 CA THR A 29 6.335 4.149 1.892 1.00 0.00 C ATOM 449 C THR A 29 7.606 4.577 1.156 1.00 0.00 C ATOM 450 O THR A 29 8.447 3.759 0.839 1.00 0.00 O ATOM 451 CB THR A 29 6.648 3.782 3.343 1.00 0.00 C ATOM 452 OG1 THR A 29 7.120 4.933 4.027 1.00 0.00 O ATOM 453 CG2 THR A 29 7.719 2.691 3.377 1.00 0.00 C ATOM 0 H THR A 29 6.431 2.104 1.278 1.00 0.00 H new ATOM 0 HA THR A 29 5.634 4.981 1.830 1.00 0.00 H new ATOM 0 HB THR A 29 5.744 3.414 3.829 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.320 4.701 4.958 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.941 2.431 4.412 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.356 1.808 2.851 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.625 3.055 2.892 1.00 0.00 H new ATOM 461 N PRO A 30 7.698 5.852 0.906 1.00 0.00 N ATOM 462 CA PRO A 30 8.876 6.408 0.193 1.00 0.00 C ATOM 463 C PRO A 30 10.122 6.361 1.082 1.00 0.00 C ATOM 464 O PRO A 30 10.064 5.921 2.213 1.00 0.00 O ATOM 465 CB PRO A 30 8.464 7.850 -0.099 1.00 0.00 C ATOM 466 CG PRO A 30 7.436 8.175 0.937 1.00 0.00 C ATOM 467 CD PRO A 30 6.724 6.889 1.261 1.00 0.00 C ATOM 0 HA PRO A 30 9.134 5.850 -0.707 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.317 8.525 -0.034 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.056 7.948 -1.105 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.904 8.593 1.828 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.735 8.922 0.565 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.451 6.837 2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.803 6.786 0.687 1.00 0.00 H new ATOM 475 N PRO A 31 11.216 6.817 0.529 1.00 0.00 N ATOM 476 CA PRO A 31 12.501 6.826 1.271 1.00 0.00 C ATOM 477 C PRO A 31 12.470 7.849 2.406 1.00 0.00 C ATOM 478 O PRO A 31 11.556 8.639 2.524 1.00 0.00 O ATOM 479 CB PRO A 31 13.525 7.226 0.211 1.00 0.00 C ATOM 480 CG PRO A 31 12.738 7.969 -0.819 1.00 0.00 C ATOM 481 CD PRO A 31 11.360 7.363 -0.825 1.00 0.00 C ATOM 0 HA PRO A 31 12.725 5.867 1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.310 7.851 0.636 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.012 6.351 -0.219 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.693 9.032 -0.581 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.204 7.882 -1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.595 8.109 -1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.268 6.585 -1.583 1.00 0.00 H new ATOM 564 N THR A 38 12.792 3.713 -1.726 1.00 0.00 N ATOM 565 CA THR A 38 11.364 3.406 -1.426 1.00 0.00 C ATOM 566 C THR A 38 11.238 1.999 -0.841 1.00 0.00 C ATOM 567 O THR A 38 11.998 1.110 -1.169 1.00 0.00 O ATOM 568 CB THR A 38 10.647 3.487 -2.775 1.00 0.00 C ATOM 569 OG1 THR A 38 11.451 4.213 -3.694 1.00 0.00 O ATOM 570 CG2 THR A 38 9.299 4.193 -2.603 1.00 0.00 C ATOM 0 HA THR A 38 10.940 4.095 -0.696 1.00 0.00 H new ATOM 0 HB THR A 38 10.478 2.480 -3.155 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.396 4.007 -3.535 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.792 4.248 -3.566 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.682 3.633 -1.900 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.462 5.200 -2.220 1.00 0.00 H new ATOM 578 N GLU A 39 10.283 1.789 0.021 1.00 0.00 N ATOM 579 CA GLU A 39 10.111 0.439 0.622 1.00 0.00 C ATOM 580 C GLU A 39 8.629 0.082 0.710 1.00 0.00 C ATOM 581 O GLU A 39 7.777 0.944 0.798 1.00 0.00 O ATOM 582 CB GLU A 39 10.713 0.548 2.019 1.00 0.00 C ATOM 583 CG GLU A 39 11.279 -0.807 2.427 1.00 0.00 C ATOM 584 CD GLU A 39 10.736 -1.198 3.802 1.00 0.00 C ATOM 585 OE1 GLU A 39 9.530 -1.134 3.982 1.00 0.00 O ATOM 586 OE2 GLU A 39 11.534 -1.552 4.655 1.00 0.00 O ATOM 0 H GLU A 39 9.615 2.493 0.335 1.00 0.00 H new ATOM 0 HA GLU A 39 10.591 -0.338 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.499 1.303 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.953 0.868 2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.008 -1.562 1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.368 -0.764 2.454 1.00 0.00 H new ATOM 593 N VAL A 40 8.310 -1.183 0.687 1.00 0.00 N ATOM 594 CA VAL A 40 6.877 -1.581 0.770 1.00 0.00 C ATOM 595 C VAL A 40 6.641 -2.492 1.977 1.00 0.00 C ATOM 596 O VAL A 40 7.551 -3.104 2.499 1.00 0.00 O ATOM 597 CB VAL A 40 6.606 -2.335 -0.532 1.00 0.00 C ATOM 598 CG1 VAL A 40 5.184 -2.902 -0.516 1.00 0.00 C ATOM 599 CG2 VAL A 40 6.755 -1.377 -1.712 1.00 0.00 C ATOM 0 H VAL A 40 8.975 -1.953 0.615 1.00 0.00 H new ATOM 0 HA VAL A 40 6.218 -0.722 0.894 1.00 0.00 H new ATOM 0 HB VAL A 40 7.319 -3.153 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.996 -3.438 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.074 -3.586 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.468 -2.086 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.562 -1.912 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.041 -0.559 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.768 -0.975 -1.728 1.00 0.00 H new ATOM 609 N ILE A 41 5.418 -2.591 2.414 1.00 0.00 N ATOM 610 CA ILE A 41 5.096 -3.468 3.573 1.00 0.00 C ATOM 611 C ILE A 41 3.849 -4.280 3.242 1.00 0.00 C ATOM 612 O ILE A 41 2.779 -3.738 3.047 1.00 0.00 O ATOM 613 CB ILE A 41 4.832 -2.521 4.744 1.00 0.00 C ATOM 614 CG1 ILE A 41 5.811 -1.345 4.683 1.00 0.00 C ATOM 615 CG2 ILE A 41 5.024 -3.273 6.062 1.00 0.00 C ATOM 616 CD1 ILE A 41 5.591 -0.434 5.892 1.00 0.00 C ATOM 0 H ILE A 41 4.620 -2.097 2.014 1.00 0.00 H new ATOM 0 HA ILE A 41 5.897 -4.167 3.811 1.00 0.00 H new ATOM 0 HB ILE A 41 3.810 -2.147 4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.837 -1.713 4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.665 -0.784 3.760 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.836 -2.598 6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.327 -4.110 6.108 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.046 -3.648 6.122 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.288 0.403 5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.569 -0.056 5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.759 -0.999 6.809 1.00 0.00 H new ATOM 628 N ALA A 42 3.977 -5.570 3.150 1.00 0.00 N ATOM 629 CA ALA A 42 2.798 -6.402 2.798 1.00 0.00 C ATOM 630 C ALA A 42 2.528 -7.460 3.867 1.00 0.00 C ATOM 631 O ALA A 42 3.434 -8.065 4.404 1.00 0.00 O ATOM 632 CB ALA A 42 3.187 -7.066 1.480 1.00 0.00 C ATOM 0 H ALA A 42 4.845 -6.084 3.303 1.00 0.00 H new ATOM 0 HA ALA A 42 1.887 -5.809 2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.372 -7.705 1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.384 -6.299 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.083 -7.669 1.627 1.00 0.00 H new ATOM 638 N THR A 43 1.280 -7.705 4.155 1.00 0.00 N ATOM 639 CA THR A 43 0.934 -8.741 5.165 1.00 0.00 C ATOM 640 C THR A 43 0.316 -9.938 4.451 1.00 0.00 C ATOM 641 O THR A 43 -0.224 -9.812 3.372 1.00 0.00 O ATOM 642 CB THR A 43 -0.086 -8.088 6.100 1.00 0.00 C ATOM 643 OG1 THR A 43 0.517 -6.979 6.754 1.00 0.00 O ATOM 644 CG2 THR A 43 -0.555 -9.109 7.142 1.00 0.00 C ATOM 0 H THR A 43 0.483 -7.230 3.732 1.00 0.00 H new ATOM 0 HA THR A 43 1.804 -9.091 5.721 1.00 0.00 H new ATOM 0 HB THR A 43 -0.944 -7.746 5.522 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.135 -6.558 7.352 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.281 -8.642 7.807 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.017 -9.957 6.638 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.300 -9.454 7.723 1.00 0.00 H new ATOM 652 N LEU A 44 0.405 -11.101 5.024 1.00 0.00 N ATOM 653 CA LEU A 44 -0.158 -12.300 4.349 1.00 0.00 C ATOM 654 C LEU A 44 -1.411 -12.803 5.064 1.00 0.00 C ATOM 655 O LEU A 44 -1.744 -12.362 6.147 1.00 0.00 O ATOM 656 CB LEU A 44 0.954 -13.332 4.449 1.00 0.00 C ATOM 657 CG LEU A 44 2.147 -12.870 3.620 1.00 0.00 C ATOM 658 CD1 LEU A 44 3.155 -14.010 3.511 1.00 0.00 C ATOM 659 CD2 LEU A 44 1.665 -12.475 2.224 1.00 0.00 C ATOM 0 H LEU A 44 0.842 -11.275 5.929 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.459 -12.091 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.250 -13.465 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.601 -14.299 4.092 1.00 0.00 H new ATOM 0 HG LEU A 44 2.621 -12.012 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.010 -13.684 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.491 -14.295 4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.685 -14.867 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.514 -12.144 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.197 -13.334 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.940 -11.665 2.305 1.00 0.00 H new ATOM 671 N LYS A 45 -2.107 -13.730 4.462 1.00 0.00 N ATOM 672 CA LYS A 45 -3.337 -14.272 5.100 1.00 0.00 C ATOM 673 C LYS A 45 -2.969 -15.369 6.097 1.00 0.00 C ATOM 674 O LYS A 45 -2.497 -16.426 5.727 1.00 0.00 O ATOM 675 CB LYS A 45 -4.160 -14.850 3.951 1.00 0.00 C ATOM 676 CG LYS A 45 -5.505 -14.125 3.870 1.00 0.00 C ATOM 677 CD LYS A 45 -5.771 -13.703 2.424 1.00 0.00 C ATOM 678 CE LYS A 45 -6.593 -14.786 1.721 1.00 0.00 C ATOM 679 NZ LYS A 45 -7.980 -14.246 1.677 1.00 0.00 N ATOM 0 H LYS A 45 -1.875 -14.134 3.555 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.888 -13.509 5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.619 -14.740 3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.319 -15.917 4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.304 -14.778 4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.498 -13.250 4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.306 -12.754 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.828 -13.549 1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.213 -14.982 0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.553 -15.729 2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.605 -14.933 1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.317 -14.076 2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.988 -13.352 1.146 1.00 0.00 H new ATOM 693 N GLY A 46 -3.178 -15.128 7.359 1.00 0.00 N ATOM 694 CA GLY A 46 -2.838 -16.154 8.378 1.00 0.00 C ATOM 695 C GLY A 46 -2.094 -15.495 9.539 1.00 0.00 C ATOM 696 O GLY A 46 -2.225 -15.898 10.678 1.00 0.00 O ATOM 0 H GLY A 46 -3.571 -14.262 7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.746 -16.636 8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.220 -16.933 7.932 1.00 0.00 H new ATOM 700 N GLY A 47 -1.311 -14.485 9.266 1.00 0.00 N ATOM 701 CA GLY A 47 -0.566 -13.813 10.361 1.00 0.00 C ATOM 702 C GLY A 47 0.929 -13.848 10.055 1.00 0.00 C ATOM 703 O GLY A 47 1.677 -14.619 10.623 1.00 0.00 O ATOM 0 H GLY A 47 -1.158 -14.100 8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.903 -12.782 10.465 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.766 -14.311 11.310 1.00 0.00 H new ATOM 707 N GLN A 48 1.367 -13.014 9.159 1.00 0.00 N ATOM 708 CA GLN A 48 2.811 -12.982 8.801 1.00 0.00 C ATOM 709 C GLN A 48 3.060 -11.867 7.788 1.00 0.00 C ATOM 710 O GLN A 48 2.799 -12.015 6.610 1.00 0.00 O ATOM 711 CB GLN A 48 3.101 -14.349 8.182 1.00 0.00 C ATOM 712 CG GLN A 48 4.024 -15.144 9.107 1.00 0.00 C ATOM 713 CD GLN A 48 5.003 -15.968 8.270 1.00 0.00 C ATOM 714 OE1 GLN A 48 6.202 -15.798 8.374 1.00 0.00 O ATOM 715 NE2 GLN A 48 4.541 -16.860 7.438 1.00 0.00 N ATOM 0 H GLN A 48 0.783 -12.347 8.654 1.00 0.00 H new ATOM 0 HA GLN A 48 3.452 -12.789 9.661 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.170 -14.893 8.025 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.567 -14.226 7.204 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.571 -14.466 9.762 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.436 -15.801 9.748 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.535 -17.003 7.350 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.186 -17.415 6.875 1.00 0.00 H new ATOM 724 N LYS A 49 3.548 -10.745 8.236 1.00 0.00 N ATOM 725 CA LYS A 49 3.793 -9.619 7.297 1.00 0.00 C ATOM 726 C LYS A 49 5.285 -9.401 7.091 1.00 0.00 C ATOM 727 O LYS A 49 6.117 -9.982 7.758 1.00 0.00 O ATOM 728 CB LYS A 49 3.174 -8.402 7.976 1.00 0.00 C ATOM 729 CG LYS A 49 3.569 -7.122 7.239 1.00 0.00 C ATOM 730 CD LYS A 49 2.911 -5.920 7.920 1.00 0.00 C ATOM 731 CE LYS A 49 3.978 -5.101 8.652 1.00 0.00 C ATOM 732 NZ LYS A 49 3.286 -3.846 9.058 1.00 0.00 N ATOM 0 H LYS A 49 3.787 -10.560 9.210 1.00 0.00 H new ATOM 0 HA LYS A 49 3.365 -9.811 6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.088 -8.500 7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.505 -8.349 9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.653 -7.007 7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.257 -7.179 6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.406 -5.300 7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.151 -6.258 8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.363 -5.638 9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.829 -4.891 8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.953 -3.231 9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.936 -3.353 8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.485 -4.077 9.680 1.00 0.00 H new ATOM 746 N VAL A 50 5.610 -8.557 6.167 1.00 0.00 N ATOM 747 CA VAL A 50 7.045 -8.260 5.878 1.00 0.00 C ATOM 748 C VAL A 50 7.156 -7.029 4.973 1.00 0.00 C ATOM 749 O VAL A 50 6.223 -6.265 4.832 1.00 0.00 O ATOM 750 CB VAL A 50 7.579 -9.500 5.155 1.00 0.00 C ATOM 751 CG1 VAL A 50 8.000 -10.552 6.183 1.00 0.00 C ATOM 752 CG2 VAL A 50 6.488 -10.080 4.251 1.00 0.00 C ATOM 0 H VAL A 50 4.941 -8.049 5.588 1.00 0.00 H new ATOM 0 HA VAL A 50 7.609 -8.046 6.786 1.00 0.00 H new ATOM 0 HB VAL A 50 8.440 -9.219 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.380 -11.434 5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.781 -10.142 6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.140 -10.830 6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.871 -10.962 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.625 -10.358 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.190 -9.333 3.515 1.00 0.00 H new ATOM 762 N CYS A 51 8.291 -6.833 4.359 1.00 0.00 N ATOM 763 CA CYS A 51 8.459 -5.654 3.462 1.00 0.00 C ATOM 764 C CYS A 51 8.540 -6.110 2.007 1.00 0.00 C ATOM 765 O CYS A 51 8.981 -7.203 1.711 1.00 0.00 O ATOM 766 CB CYS A 51 9.770 -5.002 3.901 1.00 0.00 C ATOM 767 SG CYS A 51 9.438 -3.817 5.228 1.00 0.00 S ATOM 0 H CYS A 51 9.109 -7.438 4.439 1.00 0.00 H new ATOM 0 HA CYS A 51 7.622 -4.959 3.529 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.470 -5.763 4.245 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.238 -4.497 3.056 1.00 0.00 H new ATOM 0 HG CYS A 51 9.068 -2.682 4.714 1.00 0.00 H new ATOM 772 N LEU A 52 8.093 -5.291 1.096 1.00 0.00 N ATOM 773 CA LEU A 52 8.116 -5.680 -0.328 1.00 0.00 C ATOM 774 C LEU A 52 9.154 -4.865 -1.105 1.00 0.00 C ATOM 775 O LEU A 52 9.654 -3.859 -0.633 1.00 0.00 O ATOM 776 CB LEU A 52 6.708 -5.350 -0.796 1.00 0.00 C ATOM 777 CG LEU A 52 6.012 -6.620 -1.273 1.00 0.00 C ATOM 778 CD1 LEU A 52 4.499 -6.445 -1.153 1.00 0.00 C ATOM 779 CD2 LEU A 52 6.380 -6.888 -2.735 1.00 0.00 C ATOM 0 H LEU A 52 7.712 -4.364 1.285 1.00 0.00 H new ATOM 0 HA LEU A 52 8.388 -6.724 -0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.141 -4.897 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.745 -4.619 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 52 6.332 -7.462 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.000 -7.352 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.236 -6.255 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.180 -5.603 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.882 -7.796 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.061 -6.047 -3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.459 -7.012 -2.822 1.00 0.00 H new ATOM 791 N ASP A 53 9.470 -5.313 -2.294 1.00 0.00 N ATOM 792 CA ASP A 53 10.473 -4.613 -3.155 1.00 0.00 C ATOM 793 C ASP A 53 10.273 -3.090 -3.120 1.00 0.00 C ATOM 794 O ASP A 53 9.605 -2.571 -2.250 1.00 0.00 O ATOM 795 CB ASP A 53 10.201 -5.162 -4.556 1.00 0.00 C ATOM 796 CG ASP A 53 11.496 -5.723 -5.148 1.00 0.00 C ATOM 797 OD1 ASP A 53 12.420 -5.954 -4.387 1.00 0.00 O ATOM 798 OD2 ASP A 53 11.539 -5.911 -6.353 1.00 0.00 O ATOM 0 H ASP A 53 9.067 -6.151 -2.713 1.00 0.00 H new ATOM 0 HA ASP A 53 11.497 -4.785 -2.823 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.442 -5.943 -4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.808 -4.373 -5.197 1.00 0.00 H new ATOM 803 N PRO A 54 10.869 -2.418 -4.073 1.00 0.00 N ATOM 804 CA PRO A 54 10.758 -0.947 -4.138 1.00 0.00 C ATOM 805 C PRO A 54 9.467 -0.573 -4.856 1.00 0.00 C ATOM 806 O PRO A 54 9.465 -0.279 -6.032 1.00 0.00 O ATOM 807 CB PRO A 54 11.979 -0.537 -4.953 1.00 0.00 C ATOM 808 CG PRO A 54 12.333 -1.734 -5.788 1.00 0.00 C ATOM 809 CD PRO A 54 11.683 -2.953 -5.173 1.00 0.00 C ATOM 0 HA PRO A 54 10.729 -0.459 -3.164 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.758 0.326 -5.581 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.807 -0.255 -4.302 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.989 -1.597 -6.813 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.415 -1.861 -5.830 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.069 -3.485 -5.900 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.429 -3.659 -4.808 1.00 0.00 H new ATOM 817 N GLU A 55 8.362 -0.616 -4.165 1.00 0.00 N ATOM 818 CA GLU A 55 7.070 -0.304 -4.829 1.00 0.00 C ATOM 819 C GLU A 55 6.780 -1.419 -5.830 1.00 0.00 C ATOM 820 O GLU A 55 6.001 -1.266 -6.748 1.00 0.00 O ATOM 821 CB GLU A 55 7.287 1.049 -5.525 1.00 0.00 C ATOM 822 CG GLU A 55 7.433 0.861 -7.041 1.00 0.00 C ATOM 823 CD GLU A 55 8.374 1.930 -7.598 1.00 0.00 C ATOM 824 OE1 GLU A 55 9.003 2.611 -6.805 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.453 2.047 -8.810 1.00 0.00 O ATOM 0 H GLU A 55 8.299 -0.853 -3.175 1.00 0.00 H new ATOM 0 HA GLU A 55 6.223 -0.242 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.447 1.711 -5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.180 1.530 -5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.824 -0.133 -7.259 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.458 0.933 -7.523 1.00 0.00 H new ATOM 832 N ALA A 56 7.430 -2.542 -5.658 1.00 0.00 N ATOM 833 CA ALA A 56 7.229 -3.677 -6.595 1.00 0.00 C ATOM 834 C ALA A 56 7.151 -3.140 -8.025 1.00 0.00 C ATOM 835 O ALA A 56 6.102 -3.142 -8.633 1.00 0.00 O ATOM 836 CB ALA A 56 5.909 -4.329 -6.169 1.00 0.00 C ATOM 0 H ALA A 56 8.094 -2.718 -4.904 1.00 0.00 H new ATOM 0 HA ALA A 56 8.044 -4.400 -6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.696 -5.177 -6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.989 -4.673 -5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.102 -3.601 -6.247 1.00 0.00 H new ATOM 842 N PRO A 57 8.280 -2.689 -8.508 1.00 0.00 N ATOM 843 CA PRO A 57 8.355 -2.133 -9.878 1.00 0.00 C ATOM 844 C PRO A 57 8.296 -3.269 -10.894 1.00 0.00 C ATOM 845 O PRO A 57 7.296 -3.477 -11.550 1.00 0.00 O ATOM 846 CB PRO A 57 9.707 -1.429 -9.911 1.00 0.00 C ATOM 847 CG PRO A 57 10.530 -2.111 -8.863 1.00 0.00 C ATOM 848 CD PRO A 57 9.580 -2.662 -7.828 1.00 0.00 C ATOM 0 HA PRO A 57 7.536 -1.456 -10.122 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.171 -1.514 -10.893 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.602 -0.365 -9.699 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.124 -2.912 -9.303 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.229 -1.409 -8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.880 -3.658 -7.503 1.00 0.00 H new ATOM 0 HD3 PRO A 57 9.551 -2.032 -6.939 1.00 0.00 H new ATOM 856 N LEU A 58 9.348 -4.026 -11.014 1.00 0.00 N ATOM 857 CA LEU A 58 9.317 -5.159 -11.969 1.00 0.00 C ATOM 858 C LEU A 58 8.084 -6.009 -11.670 1.00 0.00 C ATOM 859 O LEU A 58 7.421 -6.501 -12.561 1.00 0.00 O ATOM 860 CB LEU A 58 10.599 -5.950 -11.701 1.00 0.00 C ATOM 861 CG LEU A 58 11.768 -5.293 -12.437 1.00 0.00 C ATOM 862 CD1 LEU A 58 11.412 -5.125 -13.916 1.00 0.00 C ATOM 863 CD2 LEU A 58 12.050 -3.921 -11.822 1.00 0.00 C ATOM 0 H LEU A 58 10.219 -3.909 -10.496 1.00 0.00 H new ATOM 0 HA LEU A 58 9.264 -4.842 -13.011 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.802 -5.982 -10.631 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.479 -6.981 -12.034 1.00 0.00 H new ATOM 0 HG LEU A 58 12.654 -5.922 -12.346 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.245 -4.657 -14.440 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.210 -6.102 -14.355 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.526 -4.496 -14.008 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.883 -3.452 -12.346 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.164 -3.293 -11.913 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.304 -4.040 -10.769 1.00 0.00 H new ATOM 875 N VAL A 59 7.768 -6.176 -10.410 1.00 0.00 N ATOM 876 CA VAL A 59 6.571 -6.986 -10.044 1.00 0.00 C ATOM 877 C VAL A 59 5.326 -6.099 -9.932 1.00 0.00 C ATOM 878 O VAL A 59 4.256 -6.560 -9.588 1.00 0.00 O ATOM 879 CB VAL A 59 6.910 -7.600 -8.693 1.00 0.00 C ATOM 880 CG1 VAL A 59 5.786 -8.547 -8.284 1.00 0.00 C ATOM 881 CG2 VAL A 59 8.222 -8.378 -8.804 1.00 0.00 C ATOM 0 H VAL A 59 8.287 -5.787 -9.623 1.00 0.00 H new ATOM 0 HA VAL A 59 6.347 -7.742 -10.796 1.00 0.00 H new ATOM 0 HB VAL A 59 7.020 -6.815 -7.945 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.019 -8.992 -7.317 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.851 -7.992 -8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.684 -9.334 -9.031 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.467 -8.819 -7.837 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.114 -9.169 -9.546 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.021 -7.702 -9.107 1.00 0.00 H new ATOM 891 N GLN A 60 5.456 -4.832 -10.212 1.00 0.00 N ATOM 892 CA GLN A 60 4.278 -3.920 -10.110 1.00 0.00 C ATOM 893 C GLN A 60 3.063 -4.554 -10.782 1.00 0.00 C ATOM 894 O GLN A 60 1.972 -4.550 -10.248 1.00 0.00 O ATOM 895 CB GLN A 60 4.693 -2.641 -10.838 1.00 0.00 C ATOM 896 CG GLN A 60 3.902 -1.454 -10.279 1.00 0.00 C ATOM 897 CD GLN A 60 4.767 -0.689 -9.273 1.00 0.00 C ATOM 898 OE1 GLN A 60 5.907 -0.376 -9.551 1.00 0.00 O ATOM 899 NE2 GLN A 60 4.268 -0.368 -8.110 1.00 0.00 N ATOM 0 H GLN A 60 6.325 -4.387 -10.507 1.00 0.00 H new ATOM 0 HA GLN A 60 4.000 -3.721 -9.075 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.762 -2.470 -10.713 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.509 -2.743 -11.908 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.598 -0.792 -11.090 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.990 -1.806 -9.796 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.311 -0.631 -7.876 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.836 0.145 -7.436 1.00 0.00 H new ATOM 908 N LYS A 61 3.244 -5.106 -11.945 1.00 0.00 N ATOM 909 CA LYS A 61 2.095 -5.749 -12.643 1.00 0.00 C ATOM 910 C LYS A 61 1.379 -6.692 -11.680 1.00 0.00 C ATOM 911 O LYS A 61 0.200 -6.557 -11.418 1.00 0.00 O ATOM 912 CB LYS A 61 2.713 -6.526 -13.807 1.00 0.00 C ATOM 913 CG LYS A 61 2.211 -5.946 -15.131 1.00 0.00 C ATOM 914 CD LYS A 61 2.166 -7.051 -16.188 1.00 0.00 C ATOM 915 CE LYS A 61 0.752 -7.632 -16.261 1.00 0.00 C ATOM 916 NZ LYS A 61 0.698 -8.352 -17.564 1.00 0.00 N ATOM 0 H LYS A 61 4.133 -5.141 -12.443 1.00 0.00 H new ATOM 0 HA LYS A 61 1.360 -5.026 -12.996 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.800 -6.467 -13.761 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.448 -7.581 -13.736 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.219 -5.515 -14.998 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.868 -5.140 -15.460 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.457 -6.651 -17.160 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.880 -7.836 -15.939 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.560 -8.308 -15.428 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.001 -6.845 -16.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.243 -8.778 -17.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.878 -7.682 -18.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.421 -9.099 -17.578 1.00 0.00 H new ATOM 930 N ILE A 62 2.092 -7.634 -11.136 1.00 0.00 N ATOM 931 CA ILE A 62 1.467 -8.579 -10.170 1.00 0.00 C ATOM 932 C ILE A 62 0.849 -7.787 -9.018 1.00 0.00 C ATOM 933 O ILE A 62 -0.123 -8.200 -8.418 1.00 0.00 O ATOM 934 CB ILE A 62 2.621 -9.457 -9.686 1.00 0.00 C ATOM 935 CG1 ILE A 62 2.940 -10.506 -10.754 1.00 0.00 C ATOM 936 CG2 ILE A 62 2.224 -10.159 -8.389 1.00 0.00 C ATOM 937 CD1 ILE A 62 3.963 -11.502 -10.204 1.00 0.00 C ATOM 0 H ILE A 62 3.083 -7.792 -11.318 1.00 0.00 H new ATOM 0 HA ILE A 62 0.668 -9.179 -10.607 1.00 0.00 H new ATOM 0 HB ILE A 62 3.499 -8.836 -9.506 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.030 -11.029 -11.048 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.333 -10.022 -11.648 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.049 -10.784 -8.046 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.993 -9.414 -7.628 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.346 -10.781 -8.566 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.190 -12.249 -10.965 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.876 -10.973 -9.932 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.553 -11.995 -9.323 1.00 0.00 H new ATOM 949 N ILE A 63 1.389 -6.633 -8.727 1.00 0.00 N ATOM 950 CA ILE A 63 0.814 -5.798 -7.642 1.00 0.00 C ATOM 951 C ILE A 63 -0.510 -5.229 -8.127 1.00 0.00 C ATOM 952 O ILE A 63 -1.550 -5.455 -7.543 1.00 0.00 O ATOM 953 CB ILE A 63 1.849 -4.693 -7.413 1.00 0.00 C ATOM 954 CG1 ILE A 63 2.583 -4.959 -6.101 1.00 0.00 C ATOM 955 CG2 ILE A 63 1.158 -3.333 -7.351 1.00 0.00 C ATOM 956 CD1 ILE A 63 3.069 -6.406 -6.095 1.00 0.00 C ATOM 0 H ILE A 63 2.203 -6.236 -9.196 1.00 0.00 H new ATOM 0 HA ILE A 63 0.617 -6.345 -6.720 1.00 0.00 H new ATOM 0 HB ILE A 63 2.561 -4.687 -8.238 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.427 -4.277 -5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.920 -4.780 -5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.902 -2.554 -7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.637 -3.146 -8.290 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.440 -3.327 -6.531 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.595 -6.609 -5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.215 -7.077 -6.183 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.744 -6.566 -6.935 1.00 0.00 H new ATOM 968 N GLN A 64 -0.482 -4.521 -9.217 1.00 0.00 N ATOM 969 CA GLN A 64 -1.752 -3.975 -9.760 1.00 0.00 C ATOM 970 C GLN A 64 -2.773 -5.107 -9.768 1.00 0.00 C ATOM 971 O GLN A 64 -3.960 -4.898 -9.623 1.00 0.00 O ATOM 972 CB GLN A 64 -1.427 -3.520 -11.183 1.00 0.00 C ATOM 973 CG GLN A 64 -1.309 -1.996 -11.217 1.00 0.00 C ATOM 974 CD GLN A 64 -0.692 -1.562 -12.548 1.00 0.00 C ATOM 975 OE1 GLN A 64 -1.393 -1.138 -13.446 1.00 0.00 O ATOM 976 NE2 GLN A 64 0.599 -1.649 -12.715 1.00 0.00 N ATOM 0 H GLN A 64 0.357 -4.298 -9.752 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.158 -3.147 -9.179 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.495 -3.975 -11.518 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.207 -3.850 -11.869 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.292 -1.542 -11.094 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.692 -1.650 -10.388 1.00 0.00 H new ATOM 0 HE21 GLN A 64 1.188 -2.005 -11.962 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.019 -1.361 -13.599 1.00 0.00 H new ATOM 985 N LYS A 65 -2.297 -6.316 -9.905 1.00 0.00 N ATOM 986 CA LYS A 65 -3.210 -7.486 -9.889 1.00 0.00 C ATOM 987 C LYS A 65 -3.746 -7.663 -8.471 1.00 0.00 C ATOM 988 O LYS A 65 -4.913 -7.919 -8.258 1.00 0.00 O ATOM 989 CB LYS A 65 -2.343 -8.678 -10.290 1.00 0.00 C ATOM 990 CG LYS A 65 -3.228 -9.780 -10.877 1.00 0.00 C ATOM 991 CD LYS A 65 -2.380 -11.021 -11.161 1.00 0.00 C ATOM 992 CE LYS A 65 -1.875 -11.608 -9.841 1.00 0.00 C ATOM 993 NZ LYS A 65 -2.436 -12.987 -9.794 1.00 0.00 N ATOM 0 H LYS A 65 -1.310 -6.540 -10.028 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.061 -7.375 -10.560 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.597 -8.368 -11.022 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.802 -9.055 -9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.030 -10.026 -10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.700 -9.431 -11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.971 -11.763 -11.699 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.537 -10.760 -11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.786 -11.624 -9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.212 -11.015 -8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.133 -13.455 -8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.475 -12.940 -9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.092 -13.530 -10.612 1.00 0.00 H new ATOM 1007 N ILE A 66 -2.890 -7.506 -7.499 1.00 0.00 N ATOM 1008 CA ILE A 66 -3.329 -7.643 -6.084 1.00 0.00 C ATOM 1009 C ILE A 66 -4.220 -6.455 -5.711 1.00 0.00 C ATOM 1010 O ILE A 66 -5.125 -6.565 -4.909 1.00 0.00 O ATOM 1011 CB ILE A 66 -2.034 -7.646 -5.265 1.00 0.00 C ATOM 1012 CG1 ILE A 66 -2.149 -8.671 -4.135 1.00 0.00 C ATOM 1013 CG2 ILE A 66 -1.784 -6.259 -4.669 1.00 0.00 C ATOM 1014 CD1 ILE A 66 -3.410 -8.389 -3.316 1.00 0.00 C ATOM 0 H ILE A 66 -1.902 -7.288 -7.626 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.911 -8.546 -5.904 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.201 -7.908 -5.918 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.188 -9.679 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.268 -8.622 -3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.861 -6.273 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.696 -5.528 -5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.616 -5.987 -4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.492 -9.119 -2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.352 -7.387 -2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.286 -8.460 -3.961 1.00 0.00 H new ATOM 1026 N LEU A 67 -3.968 -5.320 -6.304 1.00 0.00 N ATOM 1027 CA LEU A 67 -4.790 -4.113 -6.012 1.00 0.00 C ATOM 1028 C LEU A 67 -6.124 -4.196 -6.755 1.00 0.00 C ATOM 1029 O LEU A 67 -7.153 -3.785 -6.258 1.00 0.00 O ATOM 1030 CB LEU A 67 -3.965 -2.938 -6.541 1.00 0.00 C ATOM 1031 CG LEU A 67 -3.058 -2.403 -5.432 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -1.807 -3.273 -5.332 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -2.652 -0.963 -5.756 1.00 0.00 C ATOM 0 H LEU A 67 -3.221 -5.177 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.016 -4.013 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.364 -3.257 -7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.626 -2.148 -6.896 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.593 -2.426 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.161 -2.891 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.095 -4.299 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.271 -3.251 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.005 -0.581 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.117 -0.941 -6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.544 -0.341 -5.828 1.00 0.00 H new ATOM 1045 N ASN A 68 -6.106 -4.720 -7.948 1.00 0.00 N ATOM 1046 CA ASN A 68 -7.360 -4.825 -8.739 1.00 0.00 C ATOM 1047 C ASN A 68 -8.064 -6.160 -8.469 1.00 0.00 C ATOM 1048 O ASN A 68 -9.204 -6.355 -8.844 1.00 0.00 O ATOM 1049 CB ASN A 68 -6.900 -4.740 -10.191 1.00 0.00 C ATOM 1050 CG ASN A 68 -7.785 -3.752 -10.952 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -8.727 -4.145 -11.610 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -7.519 -2.475 -10.888 1.00 0.00 N ATOM 0 H ASN A 68 -5.272 -5.082 -8.410 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.078 -4.046 -8.484 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.859 -4.420 -10.235 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.951 -5.724 -10.658 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.103 -1.807 -11.391 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.728 -2.146 -10.335 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.399 -7.081 -7.826 1.00 0.00 N ATOM 1060 CA LYS A 69 -8.040 -8.398 -7.540 1.00 0.00 C ATOM 1061 C LYS A 69 -8.893 -8.312 -6.280 1.00 0.00 C ATOM 1062 O LYS A 69 -9.344 -9.305 -5.744 1.00 0.00 O ATOM 1063 CB LYS A 69 -6.888 -9.386 -7.351 1.00 0.00 C ATOM 1064 CG LYS A 69 -6.440 -9.912 -8.715 1.00 0.00 C ATOM 1065 CD LYS A 69 -7.531 -10.811 -9.300 1.00 0.00 C ATOM 1066 CE LYS A 69 -7.783 -10.423 -10.760 1.00 0.00 C ATOM 1067 NZ LYS A 69 -8.804 -9.341 -10.698 1.00 0.00 N ATOM 0 H LYS A 69 -6.442 -6.980 -7.487 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.703 -8.710 -8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.055 -8.897 -6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.205 -10.213 -6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.240 -9.080 -9.390 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.510 -10.471 -8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.228 -11.856 -9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.449 -10.710 -8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.868 -10.076 -11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.143 -11.274 -11.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.227 -9.209 -11.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.546 -9.603 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.353 -8.455 -10.394 1.00 0.00 H new ATOM 1310 N LYS B 13 -15.816 6.676 4.092 1.00 0.00 N ATOM 1311 CA LYS B 13 -15.566 6.913 2.643 1.00 0.00 C ATOM 1312 C LYS B 13 -14.076 6.750 2.333 1.00 0.00 C ATOM 1313 O LYS B 13 -13.298 6.340 3.172 1.00 0.00 O ATOM 1314 CB LYS B 13 -16.006 8.356 2.401 1.00 0.00 C ATOM 1315 CG LYS B 13 -17.513 8.395 2.133 1.00 0.00 C ATOM 1316 CD LYS B 13 -18.001 9.844 2.173 1.00 0.00 C ATOM 1317 CE LYS B 13 -18.040 10.332 3.624 1.00 0.00 C ATOM 1318 NZ LYS B 13 -19.061 11.416 3.637 1.00 0.00 N ATOM 0 HA LYS B 13 -16.103 6.209 2.008 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -15.765 8.971 3.268 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -15.465 8.775 1.553 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -17.732 7.953 1.161 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -18.041 7.801 2.879 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -17.339 10.478 1.583 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -18.993 9.917 1.727 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -18.312 9.525 4.305 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -17.066 10.703 3.942 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -19.146 11.802 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -18.772 12.173 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -19.979 11.032 3.336 1.00 0.00 H new ATOM 1332 N THR B 14 -13.673 7.069 1.135 1.00 0.00 N ATOM 1333 CA THR B 14 -12.237 6.937 0.768 1.00 0.00 C ATOM 1334 C THR B 14 -11.871 7.990 -0.278 1.00 0.00 C ATOM 1335 O THR B 14 -12.727 8.534 -0.948 1.00 0.00 O ATOM 1336 CB THR B 14 -12.108 5.538 0.177 1.00 0.00 C ATOM 1337 OG1 THR B 14 -13.383 5.087 -0.257 1.00 0.00 O ATOM 1338 CG2 THR B 14 -11.557 4.581 1.234 1.00 0.00 C ATOM 0 H THR B 14 -14.279 7.417 0.392 1.00 0.00 H new ATOM 0 HA THR B 14 -11.574 7.082 1.621 1.00 0.00 H new ATOM 0 HB THR B 14 -11.425 5.566 -0.672 1.00 0.00 H new ATOM 0 HG1 THR B 14 -13.300 4.188 -0.639 1.00 0.00 H new ATOM 0 HG21 THR B 14 -11.466 3.582 0.808 1.00 0.00 H new ATOM 0 HG22 THR B 14 -10.576 4.926 1.562 1.00 0.00 H new ATOM 0 HG23 THR B 14 -12.235 4.552 2.087 1.00 0.00 H new ATOM 1346 N LEU B 15 -10.612 8.284 -0.425 1.00 0.00 N ATOM 1347 CA LEU B 15 -10.202 9.301 -1.424 1.00 0.00 C ATOM 1348 C LEU B 15 -9.496 8.633 -2.604 1.00 0.00 C ATOM 1349 O LEU B 15 -8.824 7.635 -2.444 1.00 0.00 O ATOM 1350 CB LEU B 15 -9.240 10.208 -0.671 1.00 0.00 C ATOM 1351 CG LEU B 15 -9.988 10.908 0.461 1.00 0.00 C ATOM 1352 CD1 LEU B 15 -9.699 10.195 1.783 1.00 0.00 C ATOM 1353 CD2 LEU B 15 -9.523 12.359 0.553 1.00 0.00 C ATOM 0 H LEU B 15 -9.849 7.863 0.105 1.00 0.00 H new ATOM 0 HA LEU B 15 -11.051 9.847 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.412 9.625 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.811 10.945 -1.349 1.00 0.00 H new ATOM 0 HG LEU B 15 -11.059 10.880 0.262 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.233 10.695 2.591 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -10.029 9.158 1.717 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -8.628 10.223 1.985 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -10.056 12.861 1.361 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.452 12.386 0.753 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -9.729 12.868 -0.389 1.00 0.00 H new ATOM 1365 N PRO B 16 -9.670 9.220 -3.753 1.00 0.00 N ATOM 1366 CA PRO B 16 -9.044 8.693 -4.979 1.00 0.00 C ATOM 1367 C PRO B 16 -7.601 9.186 -5.068 1.00 0.00 C ATOM 1368 O PRO B 16 -6.813 8.706 -5.857 1.00 0.00 O ATOM 1369 CB PRO B 16 -9.892 9.297 -6.093 1.00 0.00 C ATOM 1370 CG PRO B 16 -10.488 10.546 -5.516 1.00 0.00 C ATOM 1371 CD PRO B 16 -10.467 10.420 -4.011 1.00 0.00 C ATOM 0 HA PRO B 16 -9.007 7.604 -5.022 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -9.285 9.522 -6.970 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -10.670 8.604 -6.413 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -9.921 11.421 -5.833 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -11.509 10.681 -5.873 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -10.022 11.299 -3.546 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -11.475 10.321 -3.607 1.00 0.00 H new ATOM 1379 N ARG B 17 -7.255 10.152 -4.263 1.00 0.00 N ATOM 1380 CA ARG B 17 -5.872 10.697 -4.292 1.00 0.00 C ATOM 1381 C ARG B 17 -5.665 11.632 -3.100 1.00 0.00 C ATOM 1382 O ARG B 17 -5.584 12.836 -3.246 1.00 0.00 O ATOM 1383 CB ARG B 17 -5.793 11.472 -5.608 1.00 0.00 C ATOM 1384 CG ARG B 17 -4.506 12.294 -5.640 1.00 0.00 C ATOM 1385 CD ARG B 17 -4.777 13.643 -6.311 1.00 0.00 C ATOM 1386 NE ARG B 17 -4.842 13.342 -7.768 1.00 0.00 N ATOM 1387 CZ ARG B 17 -5.931 13.602 -8.440 1.00 0.00 C ATOM 1388 NH1 ARG B 17 -6.101 14.779 -8.975 1.00 0.00 N ATOM 1389 NH2 ARG B 17 -6.847 12.684 -8.579 1.00 0.00 N ATOM 0 H ARG B 17 -7.876 10.589 -3.582 1.00 0.00 H new ATOM 0 HA ARG B 17 -5.107 9.923 -4.229 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -5.817 10.781 -6.451 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -6.658 12.127 -5.709 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -4.135 12.448 -4.627 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -3.731 11.754 -6.184 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -5.710 14.080 -5.956 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -3.986 14.359 -6.091 1.00 0.00 H new ATOM 0 HE ARG B 17 -4.036 12.933 -8.241 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -5.383 15.496 -8.868 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -6.951 14.983 -9.500 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -6.713 11.763 -8.163 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -7.698 12.888 -9.104 1.00 0.00 H new ATOM 1403 N VAL B 18 -5.580 11.085 -1.919 1.00 0.00 N ATOM 1404 CA VAL B 18 -5.370 11.944 -0.710 1.00 0.00 C ATOM 1405 C VAL B 18 -4.273 12.965 -0.996 1.00 0.00 C ATOM 1406 O VAL B 18 -3.700 12.968 -2.063 1.00 0.00 O ATOM 1407 CB VAL B 18 -4.931 10.976 0.389 1.00 0.00 C ATOM 1408 CG1 VAL B 18 -4.979 11.685 1.740 1.00 0.00 C ATOM 1409 CG2 VAL B 18 -5.876 9.772 0.419 1.00 0.00 C ATOM 0 H VAL B 18 -5.646 10.084 -1.735 1.00 0.00 H new ATOM 0 HA VAL B 18 -6.264 12.499 -0.425 1.00 0.00 H new ATOM 0 HB VAL B 18 -3.915 10.638 0.187 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -4.666 10.995 2.524 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -4.309 12.544 1.724 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -5.996 12.022 1.938 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -5.562 9.083 1.203 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -6.892 10.112 0.620 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -5.848 9.263 -0.545 1.00 0.00 H new ATOM 1419 N ASP B 19 -3.961 13.826 -0.058 1.00 0.00 N ATOM 1420 CA ASP B 19 -2.883 14.820 -0.304 1.00 0.00 C ATOM 1421 C ASP B 19 -1.692 14.076 -0.905 1.00 0.00 C ATOM 1422 O ASP B 19 -0.661 13.898 -0.287 1.00 0.00 O ATOM 1423 CB ASP B 19 -2.563 15.381 1.075 1.00 0.00 C ATOM 1424 CG ASP B 19 -1.639 16.591 0.942 1.00 0.00 C ATOM 1425 OD1 ASP B 19 -1.431 17.031 -0.177 1.00 0.00 O ATOM 1426 OD2 ASP B 19 -1.157 17.059 1.960 1.00 0.00 O ATOM 0 H ASP B 19 -4.405 13.880 0.859 1.00 0.00 H new ATOM 0 HA ASP B 19 -3.152 15.620 -0.993 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -3.484 15.669 1.583 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -2.088 14.615 1.688 1.00 0.00 H new ATOM 1431 N PHE B 20 -1.876 13.602 -2.098 1.00 0.00 N ATOM 1432 CA PHE B 20 -0.839 12.807 -2.796 1.00 0.00 C ATOM 1433 C PHE B 20 0.576 13.277 -2.497 1.00 0.00 C ATOM 1434 O PHE B 20 1.305 12.644 -1.763 1.00 0.00 O ATOM 1435 CB PHE B 20 -1.161 12.983 -4.273 1.00 0.00 C ATOM 1436 CG PHE B 20 -1.077 11.638 -4.918 1.00 0.00 C ATOM 1437 CD1 PHE B 20 -2.151 10.752 -4.822 1.00 0.00 C ATOM 1438 CD2 PHE B 20 0.088 11.266 -5.586 1.00 0.00 C ATOM 1439 CE1 PHE B 20 -2.063 9.489 -5.401 1.00 0.00 C ATOM 1440 CE2 PHE B 20 0.184 10.006 -6.162 1.00 0.00 C ATOM 1441 CZ PHE B 20 -0.897 9.112 -6.071 1.00 0.00 C ATOM 0 H PHE B 20 -2.732 13.738 -2.636 1.00 0.00 H new ATOM 0 HA PHE B 20 -0.859 11.768 -2.469 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.157 13.407 -4.400 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -0.459 13.675 -4.738 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -3.049 11.046 -4.299 1.00 0.00 H new ATOM 0 HD2 PHE B 20 0.915 11.957 -5.656 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -2.894 8.803 -5.332 1.00 0.00 H new ATOM 0 HE2 PHE B 20 1.086 9.714 -6.678 1.00 0.00 H new ATOM 0 HZ PHE B 20 -0.826 8.132 -6.520 1.00 0.00 H new ATOM 1451 N LYS B 21 0.991 14.353 -3.085 1.00 0.00 N ATOM 1452 CA LYS B 21 2.380 14.816 -2.851 1.00 0.00 C ATOM 1453 C LYS B 21 2.748 14.654 -1.370 1.00 0.00 C ATOM 1454 O LYS B 21 3.904 14.538 -1.017 1.00 0.00 O ATOM 1455 CB LYS B 21 2.390 16.289 -3.260 1.00 0.00 C ATOM 1456 CG LYS B 21 2.929 16.418 -4.686 1.00 0.00 C ATOM 1457 CD LYS B 21 4.083 17.422 -4.707 1.00 0.00 C ATOM 1458 CE LYS B 21 5.412 16.671 -4.820 1.00 0.00 C ATOM 1459 NZ LYS B 21 6.432 17.727 -5.068 1.00 0.00 N ATOM 0 H LYS B 21 0.434 14.931 -3.715 1.00 0.00 H new ATOM 0 HA LYS B 21 3.109 14.240 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS B 21 1.382 16.701 -3.202 1.00 0.00 H new ATOM 0 HB3 LYS B 21 3.009 16.864 -2.572 1.00 0.00 H new ATOM 0 HG2 LYS B 21 3.271 15.448 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS B 21 2.136 16.746 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS B 21 3.968 18.107 -5.547 1.00 0.00 H new ATOM 0 HD3 LYS B 21 4.070 18.026 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS B 21 5.631 16.117 -3.907 1.00 0.00 H new ATOM 0 HE3 LYS B 21 5.388 15.947 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 7.371 17.289 -5.157 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 6.201 18.233 -5.947 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 6.437 18.398 -4.274 1.00 0.00 H new ATOM 1473 N ASN B 22 1.769 14.642 -0.501 1.00 0.00 N ATOM 1474 CA ASN B 22 2.056 14.485 0.948 1.00 0.00 C ATOM 1475 C ASN B 22 2.007 13.010 1.344 1.00 0.00 C ATOM 1476 O ASN B 22 2.616 12.594 2.309 1.00 0.00 O ATOM 1477 CB ASN B 22 0.936 15.244 1.642 1.00 0.00 C ATOM 1478 CG ASN B 22 1.533 16.279 2.599 1.00 0.00 C ATOM 1479 OD1 ASN B 22 2.467 16.975 2.253 1.00 0.00 O ATOM 1480 ND2 ASN B 22 1.031 16.411 3.796 1.00 0.00 N ATOM 0 H ASN B 22 0.781 14.735 -0.738 1.00 0.00 H new ATOM 0 HA ASN B 22 3.046 14.856 1.215 1.00 0.00 H new ATOM 0 HB2 ASN B 22 0.306 15.738 0.903 1.00 0.00 H new ATOM 0 HB3 ASN B 22 0.299 14.551 2.191 1.00 0.00 H new ATOM 0 HD21 ASN B 22 1.423 17.098 4.440 1.00 0.00 H new ATOM 0 HD22 ASN B 22 0.247 15.827 4.087 1.00 0.00 H new ATOM 1487 N ILE B 23 1.271 12.222 0.610 1.00 0.00 N ATOM 1488 CA ILE B 23 1.160 10.775 0.943 1.00 0.00 C ATOM 1489 C ILE B 23 2.498 10.242 1.468 1.00 0.00 C ATOM 1490 O ILE B 23 3.445 10.072 0.726 1.00 0.00 O ATOM 1491 CB ILE B 23 0.767 10.097 -0.376 1.00 0.00 C ATOM 1492 CG1 ILE B 23 -0.706 9.687 -0.315 1.00 0.00 C ATOM 1493 CG2 ILE B 23 1.627 8.855 -0.613 1.00 0.00 C ATOM 1494 CD1 ILE B 23 -1.565 10.918 -0.028 1.00 0.00 C ATOM 0 H ILE B 23 0.740 12.519 -0.209 1.00 0.00 H new ATOM 0 HA ILE B 23 0.428 10.582 1.727 1.00 0.00 H new ATOM 0 HB ILE B 23 0.925 10.799 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.007 9.232 -1.258 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -0.854 8.937 0.462 1.00 0.00 H new ATOM 0 HG21 ILE B 23 1.336 8.385 -1.553 1.00 0.00 H new ATOM 0 HG22 ILE B 23 2.677 9.143 -0.661 1.00 0.00 H new ATOM 0 HG23 ILE B 23 1.482 8.150 0.206 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -2.615 10.627 0.016 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -1.269 11.354 0.926 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -1.425 11.652 -0.821 1.00 0.00 H new ATOM 1506 N GLN B 24 2.580 9.981 2.745 1.00 0.00 N ATOM 1507 CA GLN B 24 3.856 9.460 3.322 1.00 0.00 C ATOM 1508 C GLN B 24 3.858 7.930 3.325 1.00 0.00 C ATOM 1509 O GLN B 24 4.881 7.303 3.511 1.00 0.00 O ATOM 1510 CB GLN B 24 3.893 9.999 4.753 1.00 0.00 C ATOM 1511 CG GLN B 24 5.199 9.571 5.426 1.00 0.00 C ATOM 1512 CD GLN B 24 4.937 9.272 6.904 1.00 0.00 C ATOM 1513 OE1 GLN B 24 5.353 8.248 7.411 1.00 0.00 O ATOM 1514 NE2 GLN B 24 4.262 10.127 7.621 1.00 0.00 N ATOM 0 H GLN B 24 1.820 10.105 3.414 1.00 0.00 H new ATOM 0 HA GLN B 24 4.725 9.774 2.744 1.00 0.00 H new ATOM 0 HB2 GLN B 24 3.815 11.086 4.746 1.00 0.00 H new ATOM 0 HB3 GLN B 24 3.040 9.622 5.317 1.00 0.00 H new ATOM 0 HG2 GLN B 24 5.603 8.688 4.931 1.00 0.00 H new ATOM 0 HG3 GLN B 24 5.945 10.360 5.330 1.00 0.00 H new ATOM 0 HE21 GLN B 24 3.913 10.986 7.196 1.00 0.00 H new ATOM 0 HE22 GLN B 24 4.083 9.937 8.607 1.00 0.00 H new ATOM 1523 N SER B 25 2.725 7.323 3.114 1.00 0.00 N ATOM 1524 CA SER B 25 2.669 5.834 3.098 1.00 0.00 C ATOM 1525 C SER B 25 1.324 5.368 2.539 1.00 0.00 C ATOM 1526 O SER B 25 0.279 5.847 2.927 1.00 0.00 O ATOM 1527 CB SER B 25 2.820 5.407 4.557 1.00 0.00 C ATOM 1528 OG SER B 25 2.657 6.541 5.399 1.00 0.00 O ATOM 0 H SER B 25 1.834 7.793 2.952 1.00 0.00 H new ATOM 0 HA SER B 25 3.447 5.400 2.470 1.00 0.00 H new ATOM 0 HB2 SER B 25 2.079 4.647 4.804 1.00 0.00 H new ATOM 0 HB3 SER B 25 3.801 4.959 4.717 1.00 0.00 H new ATOM 0 HG SER B 25 2.752 6.269 6.336 1.00 0.00 H new ATOM 1534 N LEU B 26 1.342 4.439 1.625 1.00 0.00 N ATOM 1535 CA LEU B 26 0.061 3.949 1.036 1.00 0.00 C ATOM 1536 C LEU B 26 -0.199 2.504 1.457 1.00 0.00 C ATOM 1537 O LEU B 26 0.707 1.701 1.532 1.00 0.00 O ATOM 1538 CB LEU B 26 0.267 4.024 -0.479 1.00 0.00 C ATOM 1539 CG LEU B 26 -0.224 5.373 -1.005 1.00 0.00 C ATOM 1540 CD1 LEU B 26 -1.750 5.356 -1.114 1.00 0.00 C ATOM 1541 CD2 LEU B 26 0.210 6.482 -0.045 1.00 0.00 C ATOM 0 H LEU B 26 2.186 3.997 1.260 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.793 4.540 1.368 1.00 0.00 H new ATOM 0 HB2 LEU B 26 1.322 3.893 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -0.274 3.214 -0.969 1.00 0.00 H new ATOM 0 HG LEU B 26 0.205 5.557 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.099 6.318 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.057 4.566 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.183 5.171 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.139 7.444 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.218 6.298 0.940 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.297 6.495 0.029 1.00 0.00 H new ATOM 1553 N SER B 27 -1.430 2.165 1.723 1.00 0.00 N ATOM 1554 CA SER B 27 -1.745 0.768 2.129 1.00 0.00 C ATOM 1555 C SER B 27 -2.926 0.239 1.311 1.00 0.00 C ATOM 1556 O SER B 27 -3.818 0.979 0.948 1.00 0.00 O ATOM 1557 CB SER B 27 -2.108 0.865 3.607 1.00 0.00 C ATOM 1558 OG SER B 27 -1.230 0.041 4.362 1.00 0.00 O ATOM 0 H SER B 27 -2.231 2.795 1.677 1.00 0.00 H new ATOM 0 HA SER B 27 -0.914 0.084 1.960 1.00 0.00 H new ATOM 0 HB2 SER B 27 -2.034 1.899 3.944 1.00 0.00 H new ATOM 0 HB3 SER B 27 -3.141 0.552 3.761 1.00 0.00 H new ATOM 0 HG SER B 27 -1.460 0.103 5.313 1.00 0.00 H new ATOM 1564 N VAL B 28 -2.945 -1.031 1.012 1.00 0.00 N ATOM 1565 CA VAL B 28 -4.076 -1.585 0.213 1.00 0.00 C ATOM 1566 C VAL B 28 -4.575 -2.894 0.830 1.00 0.00 C ATOM 1567 O VAL B 28 -3.873 -3.884 0.857 1.00 0.00 O ATOM 1568 CB VAL B 28 -3.495 -1.833 -1.179 1.00 0.00 C ATOM 1569 CG1 VAL B 28 -4.392 -2.808 -1.947 1.00 0.00 C ATOM 1570 CG2 VAL B 28 -3.419 -0.507 -1.938 1.00 0.00 C ATOM 0 H VAL B 28 -2.231 -1.706 1.284 1.00 0.00 H new ATOM 0 HA VAL B 28 -4.929 -0.907 0.183 1.00 0.00 H new ATOM 0 HB VAL B 28 -2.497 -2.260 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.975 -2.982 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.449 -3.753 -1.406 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -5.391 -2.384 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -3.005 -0.680 -2.931 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -4.419 -0.083 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -2.779 0.188 -1.394 1.00 0.00 H new ATOM 1580 N THR B 29 -5.783 -2.910 1.318 1.00 0.00 N ATOM 1581 CA THR B 29 -6.318 -4.161 1.925 1.00 0.00 C ATOM 1582 C THR B 29 -7.598 -4.586 1.199 1.00 0.00 C ATOM 1583 O THR B 29 -8.441 -3.765 0.896 1.00 0.00 O ATOM 1584 CB THR B 29 -6.618 -3.804 3.381 1.00 0.00 C ATOM 1585 OG1 THR B 29 -7.083 -4.960 4.063 1.00 0.00 O ATOM 1586 CG2 THR B 29 -7.688 -2.713 3.432 1.00 0.00 C ATOM 0 H THR B 29 -6.422 -2.115 1.323 1.00 0.00 H new ATOM 0 HA THR B 29 -5.616 -4.991 1.851 1.00 0.00 H new ATOM 0 HB THR B 29 -5.710 -3.439 3.861 1.00 0.00 H new ATOM 0 HG1 THR B 29 -7.274 -4.734 4.997 1.00 0.00 H new ATOM 0 HG21 THR B 29 -7.900 -2.460 4.471 1.00 0.00 H new ATOM 0 HG22 THR B 29 -7.329 -1.827 2.909 1.00 0.00 H new ATOM 0 HG23 THR B 29 -8.598 -3.073 2.953 1.00 0.00 H new ATOM 1594 N PRO B 30 -7.692 -5.859 0.943 1.00 0.00 N ATOM 1595 CA PRO B 30 -8.876 -6.411 0.239 1.00 0.00 C ATOM 1596 C PRO B 30 -10.113 -6.368 1.139 1.00 0.00 C ATOM 1597 O PRO B 30 -10.044 -5.936 2.272 1.00 0.00 O ATOM 1598 CB PRO B 30 -8.467 -7.852 -0.066 1.00 0.00 C ATOM 1599 CG PRO B 30 -7.430 -8.182 0.957 1.00 0.00 C ATOM 1600 CD PRO B 30 -6.714 -6.897 1.281 1.00 0.00 C ATOM 0 HA PRO B 30 -9.143 -5.848 -0.656 1.00 0.00 H new ATOM 0 HB2 PRO B 30 -9.319 -8.528 0.003 1.00 0.00 H new ATOM 0 HB3 PRO B 30 -8.069 -7.944 -1.076 1.00 0.00 H new ATOM 0 HG2 PRO B 30 -7.889 -8.605 1.851 1.00 0.00 H new ATOM 0 HG3 PRO B 30 -6.733 -8.927 0.574 1.00 0.00 H new ATOM 0 HD2 PRO B 30 -6.429 -6.852 2.332 1.00 0.00 H new ATOM 0 HD3 PRO B 30 -5.799 -6.790 0.698 1.00 0.00 H new ATOM 1608 N PRO B 31 -11.212 -6.820 0.595 1.00 0.00 N ATOM 1609 CA PRO B 31 -12.492 -6.836 1.349 1.00 0.00 C ATOM 1610 C PRO B 31 -12.450 -7.864 2.477 1.00 0.00 C ATOM 1611 O PRO B 31 -11.534 -8.656 2.581 1.00 0.00 O ATOM 1612 CB PRO B 31 -13.526 -7.229 0.295 1.00 0.00 C ATOM 1613 CG PRO B 31 -12.749 -7.965 -0.746 1.00 0.00 C ATOM 1614 CD PRO B 31 -11.370 -7.359 -0.763 1.00 0.00 C ATOM 0 HA PRO B 31 -12.713 -5.881 1.825 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -14.308 -7.857 0.723 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -14.016 -6.351 -0.125 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -12.702 -9.029 -0.514 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -13.225 -7.872 -1.722 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -10.607 -8.104 -0.990 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -11.285 -6.577 -1.517 1.00 0.00 H new ATOM 1697 N THR B 38 -12.812 -3.704 -1.627 1.00 0.00 N ATOM 1698 CA THR B 38 -11.380 -3.399 -1.339 1.00 0.00 C ATOM 1699 C THR B 38 -11.248 -1.995 -0.747 1.00 0.00 C ATOM 1700 O THR B 38 -12.010 -1.104 -1.062 1.00 0.00 O ATOM 1701 CB THR B 38 -10.675 -3.472 -2.695 1.00 0.00 C ATOM 1702 OG1 THR B 38 -11.488 -4.192 -3.611 1.00 0.00 O ATOM 1703 CG2 THR B 38 -9.326 -4.178 -2.541 1.00 0.00 C ATOM 0 HA THR B 38 -10.950 -4.093 -0.617 1.00 0.00 H new ATOM 0 HB THR B 38 -10.509 -2.462 -3.070 1.00 0.00 H new ATOM 0 HG1 THR B 38 -12.422 -4.155 -3.318 1.00 0.00 H new ATOM 0 HG21 THR B 38 -8.828 -4.227 -3.510 1.00 0.00 H new ATOM 0 HG22 THR B 38 -8.702 -3.622 -1.840 1.00 0.00 H new ATOM 0 HG23 THR B 38 -9.485 -5.188 -2.163 1.00 0.00 H new ATOM 1711 N GLU B 39 -10.285 -1.790 0.107 1.00 0.00 N ATOM 1712 CA GLU B 39 -10.107 -0.444 0.715 1.00 0.00 C ATOM 1713 C GLU B 39 -8.623 -0.087 0.791 1.00 0.00 C ATOM 1714 O GLU B 39 -7.771 -0.951 0.864 1.00 0.00 O ATOM 1715 CB GLU B 39 -10.694 -0.561 2.117 1.00 0.00 C ATOM 1716 CG GLU B 39 -11.257 0.792 2.539 1.00 0.00 C ATOM 1717 CD GLU B 39 -10.700 1.173 3.911 1.00 0.00 C ATOM 1718 OE1 GLU B 39 -9.493 1.109 4.078 1.00 0.00 O ATOM 1719 OE2 GLU B 39 -11.490 1.522 4.773 1.00 0.00 O ATOM 0 H GLU B 39 -9.614 -2.496 0.410 1.00 0.00 H new ATOM 0 HA GLU B 39 -10.594 0.336 0.130 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.480 -1.316 2.133 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.926 -0.884 2.820 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.993 1.552 1.804 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -12.346 0.749 2.576 1.00 0.00 H new ATOM 1726 N VAL B 40 -8.305 1.178 0.773 1.00 0.00 N ATOM 1727 CA VAL B 40 -6.871 1.575 0.843 1.00 0.00 C ATOM 1728 C VAL B 40 -6.623 2.478 2.055 1.00 0.00 C ATOM 1729 O VAL B 40 -7.527 3.088 2.588 1.00 0.00 O ATOM 1730 CB VAL B 40 -6.612 2.337 -0.456 1.00 0.00 C ATOM 1731 CG1 VAL B 40 -5.191 2.903 -0.452 1.00 0.00 C ATOM 1732 CG2 VAL B 40 -6.772 1.385 -1.641 1.00 0.00 C ATOM 0 H VAL B 40 -8.971 1.949 0.713 1.00 0.00 H new ATOM 0 HA VAL B 40 -6.210 0.715 0.954 1.00 0.00 H new ATOM 0 HB VAL B 40 -7.326 3.156 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -5.013 3.445 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -5.072 3.581 0.393 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -4.474 2.086 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -6.588 1.926 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -6.057 0.567 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -7.785 0.983 -1.650 1.00 0.00 H new ATOM 1742 N ILE B 41 -5.396 2.574 2.479 1.00 0.00 N ATOM 1743 CA ILE B 41 -5.064 3.444 3.641 1.00 0.00 C ATOM 1744 C ILE B 41 -3.818 4.259 3.303 1.00 0.00 C ATOM 1745 O ILE B 41 -2.750 3.718 3.094 1.00 0.00 O ATOM 1746 CB ILE B 41 -4.788 2.491 4.803 1.00 0.00 C ATOM 1747 CG1 ILE B 41 -5.767 1.315 4.745 1.00 0.00 C ATOM 1748 CG2 ILE B 41 -4.966 3.234 6.127 1.00 0.00 C ATOM 1749 CD1 ILE B 41 -5.535 0.396 5.946 1.00 0.00 C ATOM 0 H ILE B 41 -4.602 2.084 2.068 1.00 0.00 H new ATOM 0 HA ILE B 41 -5.864 4.141 3.890 1.00 0.00 H new ATOM 0 HB ILE B 41 -3.766 2.118 4.729 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -6.793 1.682 4.748 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -5.630 0.760 3.817 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -4.769 2.554 6.955 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -4.269 4.071 6.171 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -5.987 3.608 6.200 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -6.232 -0.441 5.904 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -4.513 0.018 5.923 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -5.694 0.955 6.868 1.00 0.00 H new ATOM 1761 N ALA B 42 -3.948 5.550 3.220 1.00 0.00 N ATOM 1762 CA ALA B 42 -2.771 6.384 2.862 1.00 0.00 C ATOM 1763 C ALA B 42 -2.491 7.435 3.934 1.00 0.00 C ATOM 1764 O ALA B 42 -3.393 8.037 4.483 1.00 0.00 O ATOM 1765 CB ALA B 42 -3.172 7.055 1.551 1.00 0.00 C ATOM 0 H ALA B 42 -4.814 6.063 3.384 1.00 0.00 H new ATOM 0 HA ALA B 42 -1.860 5.792 2.774 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -2.360 7.695 1.207 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -3.376 6.292 0.800 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -4.067 7.657 1.709 1.00 0.00 H new ATOM 1771 N THR B 43 -1.241 7.678 4.211 1.00 0.00 N ATOM 1772 CA THR B 43 -0.885 8.708 5.225 1.00 0.00 C ATOM 1773 C THR B 43 -0.273 9.909 4.512 1.00 0.00 C ATOM 1774 O THR B 43 0.256 9.788 3.427 1.00 0.00 O ATOM 1775 CB THR B 43 0.143 8.048 6.145 1.00 0.00 C ATOM 1776 OG1 THR B 43 -0.452 6.936 6.798 1.00 0.00 O ATOM 1777 CG2 THR B 43 0.624 9.062 7.188 1.00 0.00 C ATOM 0 H THR B 43 -0.448 7.206 3.777 1.00 0.00 H new ATOM 0 HA THR B 43 -1.749 9.056 5.792 1.00 0.00 H new ATOM 0 HB THR B 43 0.994 7.708 5.555 1.00 0.00 H new ATOM 0 HG1 THR B 43 0.207 6.511 7.386 1.00 0.00 H new ATOM 0 HG21 THR B 43 1.357 8.590 7.843 1.00 0.00 H new ATOM 0 HG22 THR B 43 1.082 9.913 6.684 1.00 0.00 H new ATOM 0 HG23 THR B 43 -0.224 9.405 7.780 1.00 0.00 H new ATOM 1785 N LEU B 44 -0.358 11.067 5.093 1.00 0.00 N ATOM 1786 CA LEU B 44 0.200 12.271 4.419 1.00 0.00 C ATOM 1787 C LEU B 44 1.460 12.770 5.126 1.00 0.00 C ATOM 1788 O LEU B 44 1.804 12.322 6.202 1.00 0.00 O ATOM 1789 CB LEU B 44 -0.910 13.302 4.537 1.00 0.00 C ATOM 1790 CG LEU B 44 -2.112 12.846 3.716 1.00 0.00 C ATOM 1791 CD1 LEU B 44 -3.122 13.987 3.625 1.00 0.00 C ATOM 1792 CD2 LEU B 44 -1.644 12.459 2.314 1.00 0.00 C ATOM 0 H LEU B 44 -0.788 11.235 6.003 1.00 0.00 H new ATOM 0 HA LEU B 44 0.492 12.068 3.389 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -1.195 13.428 5.581 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -0.560 14.272 4.183 1.00 0.00 H new ATOM 0 HG LEU B 44 -2.582 11.985 4.192 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -3.983 13.665 3.039 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -3.449 14.265 4.627 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -2.657 14.847 3.144 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -2.499 12.132 1.722 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -1.179 13.321 1.835 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -0.919 11.648 2.383 1.00 0.00 H new ATOM 1804 N LYS B 45 2.150 13.701 4.522 1.00 0.00 N ATOM 1805 CA LYS B 45 3.387 14.238 5.151 1.00 0.00 C ATOM 1806 C LYS B 45 3.028 15.330 6.159 1.00 0.00 C ATOM 1807 O LYS B 45 2.551 16.388 5.800 1.00 0.00 O ATOM 1808 CB LYS B 45 4.199 14.822 3.998 1.00 0.00 C ATOM 1809 CG LYS B 45 5.543 14.098 3.900 1.00 0.00 C ATOM 1810 CD LYS B 45 5.794 13.686 2.449 1.00 0.00 C ATOM 1811 CE LYS B 45 6.610 14.773 1.744 1.00 0.00 C ATOM 1812 NZ LYS B 45 7.996 14.232 1.683 1.00 0.00 N ATOM 0 H LYS B 45 1.909 14.111 3.620 1.00 0.00 H new ATOM 0 HA LYS B 45 3.943 13.472 5.691 1.00 0.00 H new ATOM 0 HB2 LYS B 45 3.649 14.718 3.063 1.00 0.00 H new ATOM 0 HB3 LYS B 45 4.359 15.888 4.156 1.00 0.00 H new ATOM 0 HG2 LYS B 45 6.345 14.748 4.249 1.00 0.00 H new ATOM 0 HG3 LYS B 45 5.543 13.219 4.544 1.00 0.00 H new ATOM 0 HD2 LYS B 45 6.328 12.737 2.417 1.00 0.00 H new ATOM 0 HD3 LYS B 45 4.846 13.536 1.933 1.00 0.00 H new ATOM 0 HE2 LYS B 45 6.220 14.975 0.746 1.00 0.00 H new ATOM 0 HE3 LYS B 45 6.576 15.713 2.296 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 8.617 14.921 1.212 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 8.343 14.056 2.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 7.998 13.341 1.146 1.00 0.00 H new ATOM 1826 N GLY B 46 3.249 15.080 7.418 1.00 0.00 N ATOM 1827 CA GLY B 46 2.919 16.100 8.446 1.00 0.00 C ATOM 1828 C GLY B 46 2.187 15.434 9.610 1.00 0.00 C ATOM 1829 O GLY B 46 2.329 15.830 10.750 1.00 0.00 O ATOM 0 H GLY B 46 3.645 14.212 7.779 1.00 0.00 H new ATOM 0 HA2 GLY B 46 3.830 16.580 8.803 1.00 0.00 H new ATOM 0 HA3 GLY B 46 2.296 16.882 8.011 1.00 0.00 H new ATOM 1833 N GLY B 47 1.401 14.427 9.339 1.00 0.00 N ATOM 1834 CA GLY B 47 0.666 13.748 10.437 1.00 0.00 C ATOM 1835 C GLY B 47 -0.832 13.784 10.145 1.00 0.00 C ATOM 1836 O GLY B 47 -1.573 14.552 10.724 1.00 0.00 O ATOM 0 H GLY B 47 1.238 14.048 8.406 1.00 0.00 H new ATOM 0 HA2 GLY B 47 1.004 12.716 10.532 1.00 0.00 H new ATOM 0 HA3 GLY B 47 0.874 14.240 11.387 1.00 0.00 H new ATOM 1840 N GLN B 48 -1.278 12.956 9.248 1.00 0.00 N ATOM 1841 CA GLN B 48 -2.726 12.926 8.904 1.00 0.00 C ATOM 1842 C GLN B 48 -2.985 11.817 7.886 1.00 0.00 C ATOM 1843 O GLN B 48 -2.735 11.973 6.707 1.00 0.00 O ATOM 1844 CB GLN B 48 -3.022 14.298 8.296 1.00 0.00 C ATOM 1845 CG GLN B 48 -3.935 15.086 9.236 1.00 0.00 C ATOM 1846 CD GLN B 48 -4.923 15.915 8.413 1.00 0.00 C ATOM 1847 OE1 GLN B 48 -6.120 15.745 8.527 1.00 0.00 O ATOM 1848 NE2 GLN B 48 -4.468 16.812 7.581 1.00 0.00 N ATOM 0 H GLN B 48 -0.699 12.293 8.733 1.00 0.00 H new ATOM 0 HA GLN B 48 -3.359 12.728 9.769 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -2.093 14.843 8.133 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -3.498 14.181 7.323 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -4.475 14.403 9.892 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -3.340 15.739 9.875 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -3.463 16.955 7.485 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -5.118 17.370 7.027 1.00 0.00 H new ATOM 1857 N LYS B 49 -3.469 10.693 8.333 1.00 0.00 N ATOM 1858 CA LYS B 49 -3.723 9.573 7.390 1.00 0.00 C ATOM 1859 C LYS B 49 -5.216 9.356 7.197 1.00 0.00 C ATOM 1860 O LYS B 49 -6.043 9.933 7.875 1.00 0.00 O ATOM 1861 CB LYS B 49 -3.097 8.352 8.055 1.00 0.00 C ATOM 1862 CG LYS B 49 -3.500 7.075 7.313 1.00 0.00 C ATOM 1863 CD LYS B 49 -2.836 5.870 7.982 1.00 0.00 C ATOM 1864 CE LYS B 49 -3.895 5.046 8.719 1.00 0.00 C ATOM 1865 NZ LYS B 49 -3.199 3.789 9.111 1.00 0.00 N ATOM 0 H LYS B 49 -3.699 10.503 9.308 1.00 0.00 H new ATOM 0 HA LYS B 49 -3.305 9.771 6.403 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -2.011 8.450 8.061 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -3.417 8.292 9.095 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -4.584 6.961 7.325 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -3.198 7.137 6.268 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -2.337 5.254 7.233 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -2.070 6.205 8.681 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -4.272 5.578 9.593 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -4.752 4.840 8.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -3.861 3.171 9.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -2.857 3.301 8.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -2.392 4.016 9.727 1.00 0.00 H new ATOM 1879 N VAL B 50 -5.551 8.517 6.271 1.00 0.00 N ATOM 1880 CA VAL B 50 -6.989 8.223 5.993 1.00 0.00 C ATOM 1881 C VAL B 50 -7.109 6.998 5.083 1.00 0.00 C ATOM 1882 O VAL B 50 -6.176 6.234 4.927 1.00 0.00 O ATOM 1883 CB VAL B 50 -7.530 9.468 5.284 1.00 0.00 C ATOM 1884 CG1 VAL B 50 -7.940 10.514 6.322 1.00 0.00 C ATOM 1885 CG2 VAL B 50 -6.447 10.052 4.372 1.00 0.00 C ATOM 0 H VAL B 50 -4.888 8.012 5.683 1.00 0.00 H new ATOM 0 HA VAL B 50 -7.545 8.004 6.905 1.00 0.00 H new ATOM 0 HB VAL B 50 -8.398 9.192 4.686 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -8.325 11.399 5.815 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -8.714 10.101 6.968 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -7.074 10.789 6.924 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -6.834 10.938 3.868 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -5.577 10.325 4.969 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -6.158 9.309 3.628 1.00 0.00 H new ATOM 1895 N CYS B 51 -8.249 6.805 4.478 1.00 0.00 N ATOM 1896 CA CYS B 51 -8.426 5.631 3.575 1.00 0.00 C ATOM 1897 C CYS B 51 -8.522 6.097 2.124 1.00 0.00 C ATOM 1898 O CYS B 51 -8.966 7.191 1.839 1.00 0.00 O ATOM 1899 CB CYS B 51 -9.733 4.976 4.024 1.00 0.00 C ATOM 1900 SG CYS B 51 -9.389 3.784 5.341 1.00 0.00 S ATOM 0 H CYS B 51 -9.066 7.409 4.570 1.00 0.00 H new ATOM 0 HA CYS B 51 -7.589 4.935 3.629 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -10.430 5.735 4.379 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -10.210 4.475 3.181 1.00 0.00 H new ATOM 0 HG CYS B 51 -9.106 2.628 4.817 1.00 0.00 H new ATOM 1905 N LEU B 52 -8.083 5.283 1.203 1.00 0.00 N ATOM 1906 CA LEU B 52 -8.121 5.680 -0.217 1.00 0.00 C ATOM 1907 C LEU B 52 -9.166 4.871 -0.989 1.00 0.00 C ATOM 1908 O LEU B 52 -9.662 3.861 -0.518 1.00 0.00 O ATOM 1909 CB LEU B 52 -6.717 5.353 -0.701 1.00 0.00 C ATOM 1910 CG LEU B 52 -6.026 6.626 -1.178 1.00 0.00 C ATOM 1911 CD1 LEU B 52 -4.511 6.450 -1.073 1.00 0.00 C ATOM 1912 CD2 LEU B 52 -6.408 6.904 -2.633 1.00 0.00 C ATOM 0 H LEU B 52 -7.699 4.355 1.383 1.00 0.00 H new ATOM 0 HA LEU B 52 -8.396 6.725 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -6.142 4.896 0.104 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.762 4.627 -1.512 1.00 0.00 H new ATOM 0 HG LEU B 52 -6.340 7.464 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -4.015 7.359 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -4.238 6.254 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -4.198 5.611 -1.695 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -5.913 7.814 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -6.095 6.067 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -7.488 7.029 -2.708 1.00 0.00 H new ATOM 1924 N ASP B 53 -9.493 5.326 -2.172 1.00 0.00 N ATOM 1925 CA ASP B 53 -10.504 4.631 -3.028 1.00 0.00 C ATOM 1926 C ASP B 53 -10.305 3.108 -3.003 1.00 0.00 C ATOM 1927 O ASP B 53 -9.628 2.584 -2.144 1.00 0.00 O ATOM 1928 CB ASP B 53 -10.246 5.188 -4.428 1.00 0.00 C ATOM 1929 CG ASP B 53 -11.546 5.753 -5.004 1.00 0.00 C ATOM 1930 OD1 ASP B 53 -12.463 5.979 -4.233 1.00 0.00 O ATOM 1931 OD2 ASP B 53 -11.602 5.949 -6.207 1.00 0.00 O ATOM 0 H ASP B 53 -9.094 6.167 -2.589 1.00 0.00 H new ATOM 0 HA ASP B 53 -11.525 4.801 -2.685 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -9.486 5.968 -4.385 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -9.860 4.402 -5.077 1.00 0.00 H new ATOM 1936 N PRO B 54 -10.909 2.442 -3.955 1.00 0.00 N ATOM 1937 CA PRO B 54 -10.799 0.971 -4.030 1.00 0.00 C ATOM 1938 C PRO B 54 -9.515 0.601 -4.763 1.00 0.00 C ATOM 1939 O PRO B 54 -9.525 0.314 -5.942 1.00 0.00 O ATOM 1940 CB PRO B 54 -12.029 0.566 -4.835 1.00 0.00 C ATOM 1941 CG PRO B 54 -12.390 1.768 -5.660 1.00 0.00 C ATOM 1942 CD PRO B 54 -11.734 2.984 -5.044 1.00 0.00 C ATOM 0 HA PRO B 54 -10.760 0.477 -3.059 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -11.816 -0.294 -5.469 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -12.851 0.281 -4.178 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.055 1.636 -6.689 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -13.472 1.896 -5.691 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -11.127 3.520 -5.773 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.476 3.688 -4.668 1.00 0.00 H new ATOM 1950 N GLU B 55 -8.403 0.640 -4.083 1.00 0.00 N ATOM 1951 CA GLU B 55 -7.118 0.332 -4.761 1.00 0.00 C ATOM 1952 C GLU B 55 -6.838 1.453 -5.758 1.00 0.00 C ATOM 1953 O GLU B 55 -6.067 1.306 -6.685 1.00 0.00 O ATOM 1954 CB GLU B 55 -7.343 -1.017 -5.463 1.00 0.00 C ATOM 1955 CG GLU B 55 -7.503 -0.819 -6.977 1.00 0.00 C ATOM 1956 CD GLU B 55 -8.450 -1.885 -7.532 1.00 0.00 C ATOM 1957 OE1 GLU B 55 -9.071 -2.570 -6.735 1.00 0.00 O ATOM 1958 OE2 GLU B 55 -8.540 -1.996 -8.743 1.00 0.00 O ATOM 0 H GLU B 55 -8.331 0.871 -3.092 1.00 0.00 H new ATOM 0 HA GLU B 55 -6.264 0.266 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -6.502 -1.681 -5.265 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -8.232 -1.500 -5.058 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -7.896 0.176 -7.185 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -6.532 -0.888 -7.468 1.00 0.00 H new ATOM 1965 N ALA B 56 -7.486 2.576 -5.573 1.00 0.00 N ATOM 1966 CA ALA B 56 -7.295 3.716 -6.504 1.00 0.00 C ATOM 1967 C ALA B 56 -7.230 3.188 -7.938 1.00 0.00 C ATOM 1968 O ALA B 56 -6.188 3.192 -8.556 1.00 0.00 O ATOM 1969 CB ALA B 56 -5.970 4.365 -6.087 1.00 0.00 C ATOM 0 H ALA B 56 -8.142 2.747 -4.811 1.00 0.00 H new ATOM 0 HA ALA B 56 -8.110 4.439 -6.464 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -5.763 5.218 -6.734 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -6.040 4.702 -5.053 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -5.164 3.637 -6.178 1.00 0.00 H new ATOM 1975 N PRO B 57 -8.363 2.740 -8.413 1.00 0.00 N ATOM 1976 CA PRO B 57 -8.451 2.191 -9.786 1.00 0.00 C ATOM 1977 C PRO B 57 -8.403 3.334 -10.795 1.00 0.00 C ATOM 1978 O PRO B 57 -7.409 3.545 -11.461 1.00 0.00 O ATOM 1979 CB PRO B 57 -9.804 1.488 -9.809 1.00 0.00 C ATOM 1980 CG PRO B 57 -10.617 2.164 -8.750 1.00 0.00 C ATOM 1981 CD PRO B 57 -9.657 2.708 -7.722 1.00 0.00 C ATOM 0 HA PRO B 57 -7.635 1.516 -10.043 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.278 1.578 -10.786 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -9.698 0.423 -9.604 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -11.215 2.968 -9.180 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.312 1.460 -8.292 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.954 3.702 -7.388 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.620 2.072 -6.837 1.00 0.00 H new ATOM 1989 N LEU B 58 -9.456 4.092 -10.900 1.00 0.00 N ATOM 1990 CA LEU B 58 -9.434 5.231 -11.849 1.00 0.00 C ATOM 1991 C LEU B 58 -8.198 6.079 -11.556 1.00 0.00 C ATOM 1992 O LEU B 58 -7.543 6.576 -12.451 1.00 0.00 O ATOM 1993 CB LEU B 58 -10.713 6.019 -11.564 1.00 0.00 C ATOM 1994 CG LEU B 58 -11.890 5.367 -12.293 1.00 0.00 C ATOM 1995 CD1 LEU B 58 -11.547 5.209 -13.775 1.00 0.00 C ATOM 1996 CD2 LEU B 58 -12.165 3.991 -11.683 1.00 0.00 C ATOM 0 H LEU B 58 -10.322 3.973 -10.375 1.00 0.00 H new ATOM 0 HA LEU B 58 -9.391 4.921 -12.893 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -10.905 6.044 -10.491 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -10.596 7.052 -11.891 1.00 0.00 H new ATOM 0 HG LEU B 58 -12.775 5.994 -12.191 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -12.385 4.745 -14.295 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -11.349 6.189 -14.209 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -10.662 4.581 -13.879 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -13.003 3.524 -12.201 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -11.280 3.364 -11.787 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -12.408 4.103 -10.626 1.00 0.00 H new ATOM 2008 N VAL B 59 -7.871 6.238 -10.299 1.00 0.00 N ATOM 2009 CA VAL B 59 -6.670 7.045 -9.940 1.00 0.00 C ATOM 2010 C VAL B 59 -5.423 6.158 -9.846 1.00 0.00 C ATOM 2011 O VAL B 59 -4.350 6.616 -9.509 1.00 0.00 O ATOM 2012 CB VAL B 59 -6.995 7.651 -8.582 1.00 0.00 C ATOM 2013 CG1 VAL B 59 -5.867 8.595 -8.178 1.00 0.00 C ATOM 2014 CG2 VAL B 59 -8.308 8.430 -8.675 1.00 0.00 C ATOM 0 H VAL B 59 -8.383 5.845 -9.509 1.00 0.00 H new ATOM 0 HA VAL B 59 -6.453 7.805 -10.691 1.00 0.00 H new ATOM 0 HB VAL B 59 -7.097 6.861 -7.838 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -6.091 9.034 -7.206 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.931 8.039 -8.118 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -5.772 9.387 -8.921 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -8.543 8.865 -7.703 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -8.208 9.225 -9.414 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -9.111 7.756 -8.974 1.00 0.00 H new ATOM 2024 N GLN B 60 -5.556 4.893 -10.132 1.00 0.00 N ATOM 2025 CA GLN B 60 -4.377 3.980 -10.047 1.00 0.00 C ATOM 2026 C GLN B 60 -3.169 4.618 -10.726 1.00 0.00 C ATOM 2027 O GLN B 60 -2.072 4.610 -10.203 1.00 0.00 O ATOM 2028 CB GLN B 60 -4.800 2.704 -10.779 1.00 0.00 C ATOM 2029 CG GLN B 60 -4.003 1.514 -10.234 1.00 0.00 C ATOM 2030 CD GLN B 60 -4.859 0.744 -9.224 1.00 0.00 C ATOM 2031 OE1 GLN B 60 -6.001 0.432 -9.492 1.00 0.00 O ATOM 2032 NE2 GLN B 60 -4.349 0.416 -8.068 1.00 0.00 N ATOM 0 H GLN B 60 -6.428 4.450 -10.421 1.00 0.00 H new ATOM 0 HA GLN B 60 -4.089 3.774 -9.016 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -5.868 2.532 -10.645 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -4.627 2.812 -11.850 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -3.707 0.857 -11.051 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -3.087 1.864 -9.758 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -3.389 0.677 -7.841 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -4.910 -0.102 -7.392 1.00 0.00 H new ATOM 2041 N LYS B 61 -3.361 5.177 -11.884 1.00 0.00 N ATOM 2042 CA LYS B 61 -2.218 5.823 -12.589 1.00 0.00 C ATOM 2043 C LYS B 61 -1.494 6.760 -11.627 1.00 0.00 C ATOM 2044 O LYS B 61 -0.313 6.624 -11.379 1.00 0.00 O ATOM 2045 CB LYS B 61 -2.848 6.608 -13.742 1.00 0.00 C ATOM 2046 CG LYS B 61 -2.358 6.036 -15.074 1.00 0.00 C ATOM 2047 CD LYS B 61 -2.324 7.147 -16.126 1.00 0.00 C ATOM 2048 CE LYS B 61 -0.911 7.729 -16.209 1.00 0.00 C ATOM 2049 NZ LYS B 61 -0.869 8.457 -17.507 1.00 0.00 N ATOM 0 H LYS B 61 -4.255 5.216 -12.374 1.00 0.00 H new ATOM 0 HA LYS B 61 -1.486 5.102 -12.953 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -3.935 6.548 -13.686 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -2.582 7.662 -13.667 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -1.364 5.605 -14.953 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -3.017 5.231 -15.401 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -2.624 6.752 -17.097 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -3.037 7.930 -15.866 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -0.711 8.400 -15.374 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -0.157 6.942 -16.173 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 0.071 8.884 -17.635 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -1.056 7.792 -18.284 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -1.592 9.204 -17.509 1.00 0.00 H new ATOM 2063 N ILE B 62 -2.201 7.700 -11.071 1.00 0.00 N ATOM 2064 CA ILE B 62 -1.567 8.639 -10.106 1.00 0.00 C ATOM 2065 C ILE B 62 -0.938 7.839 -8.965 1.00 0.00 C ATOM 2066 O ILE B 62 0.040 8.249 -8.371 1.00 0.00 O ATOM 2067 CB ILE B 62 -2.716 9.514 -9.606 1.00 0.00 C ATOM 2068 CG1 ILE B 62 -3.045 10.571 -10.664 1.00 0.00 C ATOM 2069 CG2 ILE B 62 -2.306 10.208 -8.307 1.00 0.00 C ATOM 2070 CD1 ILE B 62 -4.063 11.561 -10.098 1.00 0.00 C ATOM 0 H ILE B 62 -3.194 7.860 -11.243 1.00 0.00 H new ATOM 0 HA ILE B 62 -0.773 9.242 -10.546 1.00 0.00 H new ATOM 0 HB ILE B 62 -3.592 8.892 -9.423 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -2.138 11.097 -10.962 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -3.445 10.093 -11.558 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -3.127 10.831 -7.953 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -2.068 9.458 -7.553 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -1.430 10.831 -8.488 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -4.297 12.313 -10.851 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -4.973 11.029 -9.822 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -3.646 12.048 -9.217 1.00 0.00 H new ATOM 2082 N ILE B 63 -1.474 6.684 -8.675 1.00 0.00 N ATOM 2083 CA ILE B 63 -0.889 5.842 -7.600 1.00 0.00 C ATOM 2084 C ILE B 63 0.429 5.276 -8.102 1.00 0.00 C ATOM 2085 O ILE B 63 1.476 5.498 -7.527 1.00 0.00 O ATOM 2086 CB ILE B 63 -1.922 4.735 -7.368 1.00 0.00 C ATOM 2087 CG1 ILE B 63 -2.644 4.994 -6.047 1.00 0.00 C ATOM 2088 CG2 ILE B 63 -1.231 3.374 -7.321 1.00 0.00 C ATOM 2089 CD1 ILE B 63 -3.130 6.441 -6.028 1.00 0.00 C ATOM 0 H ILE B 63 -2.293 6.290 -9.138 1.00 0.00 H new ATOM 0 HA ILE B 63 -0.683 6.383 -6.676 1.00 0.00 H new ATOM 0 HB ILE B 63 -2.642 4.734 -8.187 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.487 4.311 -5.937 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -1.973 4.810 -5.208 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.974 2.594 -7.156 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.719 3.193 -8.266 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.506 3.362 -6.508 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.648 6.639 -5.089 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.277 7.113 -6.120 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.813 6.606 -6.861 1.00 0.00 H new ATOM 2101 N GLN B 64 0.391 4.575 -9.197 1.00 0.00 N ATOM 2102 CA GLN B 64 1.657 4.032 -9.755 1.00 0.00 C ATOM 2103 C GLN B 64 2.677 5.163 -9.766 1.00 0.00 C ATOM 2104 O GLN B 64 3.866 4.955 -9.634 1.00 0.00 O ATOM 2105 CB GLN B 64 1.316 3.587 -11.177 1.00 0.00 C ATOM 2106 CG GLN B 64 1.198 2.062 -11.219 1.00 0.00 C ATOM 2107 CD GLN B 64 0.568 1.636 -12.547 1.00 0.00 C ATOM 2108 OE1 GLN B 64 1.260 1.218 -13.454 1.00 0.00 O ATOM 2109 NE2 GLN B 64 -0.724 1.724 -12.700 1.00 0.00 N ATOM 0 H GLN B 64 -0.453 4.356 -9.726 1.00 0.00 H new ATOM 0 HA GLN B 64 2.069 3.201 -9.183 1.00 0.00 H new ATOM 0 HB2 GLN B 64 0.380 4.044 -11.498 1.00 0.00 H new ATOM 0 HB3 GLN B 64 2.088 3.922 -11.870 1.00 0.00 H new ATOM 0 HG2 GLN B 64 2.182 1.607 -11.109 1.00 0.00 H new ATOM 0 HG3 GLN B 64 0.589 1.710 -10.386 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -1.305 2.075 -11.939 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -1.154 1.442 -13.581 1.00 0.00 H new ATOM 2118 N LYS B 65 2.200 6.374 -9.892 1.00 0.00 N ATOM 2119 CA LYS B 65 3.114 7.544 -9.876 1.00 0.00 C ATOM 2120 C LYS B 65 3.662 7.713 -8.462 1.00 0.00 C ATOM 2121 O LYS B 65 4.832 7.968 -8.260 1.00 0.00 O ATOM 2122 CB LYS B 65 2.242 8.739 -10.262 1.00 0.00 C ATOM 2123 CG LYS B 65 3.122 9.843 -10.850 1.00 0.00 C ATOM 2124 CD LYS B 65 2.270 11.087 -11.119 1.00 0.00 C ATOM 2125 CE LYS B 65 1.778 11.666 -9.790 1.00 0.00 C ATOM 2126 NZ LYS B 65 2.341 13.044 -9.741 1.00 0.00 N ATOM 0 H LYS B 65 1.212 6.599 -10.006 1.00 0.00 H new ATOM 0 HA LYS B 65 3.960 7.437 -10.555 1.00 0.00 H new ATOM 0 HB2 LYS B 65 1.489 8.434 -10.988 1.00 0.00 H new ATOM 0 HB3 LYS B 65 1.709 9.111 -9.387 1.00 0.00 H new ATOM 0 HG2 LYS B 65 3.930 10.085 -10.160 1.00 0.00 H new ATOM 0 HG3 LYS B 65 3.585 9.500 -11.775 1.00 0.00 H new ATOM 0 HD2 LYS B 65 2.855 11.832 -11.658 1.00 0.00 H new ATOM 0 HD3 LYS B 65 1.421 10.829 -11.752 1.00 0.00 H new ATOM 0 HE2 LYS B 65 0.689 11.682 -9.745 1.00 0.00 H new ATOM 0 HE3 LYS B 65 2.123 11.068 -8.947 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 2.048 13.508 -8.857 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 3.379 12.996 -9.779 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 1.990 13.592 -10.552 1.00 0.00 H new ATOM 2140 N ILE B 66 2.816 7.550 -7.483 1.00 0.00 N ATOM 2141 CA ILE B 66 3.269 7.677 -6.072 1.00 0.00 C ATOM 2142 C ILE B 66 4.163 6.487 -5.715 1.00 0.00 C ATOM 2143 O ILE B 66 5.077 6.593 -4.920 1.00 0.00 O ATOM 2144 CB ILE B 66 1.982 7.675 -5.241 1.00 0.00 C ATOM 2145 CG1 ILE B 66 2.109 8.695 -4.106 1.00 0.00 C ATOM 2146 CG2 ILE B 66 1.737 6.286 -4.650 1.00 0.00 C ATOM 2147 CD1 ILE B 66 3.377 8.407 -3.300 1.00 0.00 C ATOM 0 H ILE B 66 1.826 7.333 -7.601 1.00 0.00 H new ATOM 0 HA ILE B 66 3.854 8.579 -5.891 1.00 0.00 H new ATOM 0 HB ILE B 66 1.143 7.940 -5.885 1.00 0.00 H new ATOM 0 HG12 ILE B 66 2.146 9.705 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE B 66 1.234 8.644 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE B 66 0.820 6.298 -4.062 1.00 0.00 H new ATOM 0 HG22 ILE B 66 1.642 5.559 -5.457 1.00 0.00 H new ATOM 0 HG23 ILE B 66 2.575 6.010 -4.010 1.00 0.00 H new ATOM 0 HD11 ILE B 66 3.467 9.133 -2.492 1.00 0.00 H new ATOM 0 HD12 ILE B 66 3.321 7.402 -2.881 1.00 0.00 H new ATOM 0 HD13 ILE B 66 4.247 8.480 -3.952 1.00 0.00 H new ATOM 2159 N LEU B 67 3.905 5.356 -6.313 1.00 0.00 N ATOM 2160 CA LEU B 67 4.731 4.147 -6.036 1.00 0.00 C ATOM 2161 C LEU B 67 6.057 4.235 -6.791 1.00 0.00 C ATOM 2162 O LEU B 67 7.090 3.820 -6.306 1.00 0.00 O ATOM 2163 CB LEU B 67 3.899 2.975 -6.564 1.00 0.00 C ATOM 2164 CG LEU B 67 3.004 2.433 -5.448 1.00 0.00 C ATOM 2165 CD1 LEU B 67 1.753 3.303 -5.333 1.00 0.00 C ATOM 2166 CD2 LEU B 67 2.594 0.996 -5.778 1.00 0.00 C ATOM 0 H LEU B 67 3.152 5.217 -6.987 1.00 0.00 H new ATOM 0 HA LEU B 67 4.969 4.040 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU B 67 3.289 3.300 -7.407 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.556 2.187 -6.931 1.00 0.00 H new ATOM 0 HG LEU B 67 3.548 2.450 -4.504 1.00 0.00 H new ATOM 0 HD11 LEU B 67 1.114 2.918 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU B 67 2.043 4.328 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.209 3.284 -6.277 1.00 0.00 H new ATOM 0 HD21 LEU B 67 1.956 0.608 -4.984 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.048 0.981 -6.722 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.485 0.374 -5.864 1.00 0.00 H new ATOM 2178 N ASN B 68 6.027 4.765 -7.980 1.00 0.00 N ATOM 2179 CA ASN B 68 7.273 4.876 -8.783 1.00 0.00 C ATOM 2180 C ASN B 68 7.980 6.208 -8.512 1.00 0.00 C ATOM 2181 O ASN B 68 9.117 6.405 -8.897 1.00 0.00 O ATOM 2182 CB ASN B 68 6.800 4.800 -10.230 1.00 0.00 C ATOM 2183 CG ASN B 68 7.677 3.816 -11.006 1.00 0.00 C ATOM 2184 OD1 ASN B 68 8.613 4.213 -11.671 1.00 0.00 O ATOM 2185 ND2 ASN B 68 7.411 2.539 -10.948 1.00 0.00 N ATOM 0 H ASN B 68 5.188 5.128 -8.432 1.00 0.00 H new ATOM 0 HA ASN B 68 7.993 4.095 -8.539 1.00 0.00 H new ATOM 0 HB2 ASN B 68 5.758 4.481 -10.266 1.00 0.00 H new ATOM 0 HB3 ASN B 68 6.847 5.787 -10.691 1.00 0.00 H new ATOM 0 HD21 ASN B 68 7.989 1.874 -11.461 1.00 0.00 H new ATOM 0 HD22 ASN B 68 6.625 2.207 -10.389 1.00 0.00 H new ATOM 2192 N LYS B 69 7.323 7.125 -7.856 1.00 0.00 N ATOM 2193 CA LYS B 69 7.967 8.441 -7.569 1.00 0.00 C ATOM 2194 C LYS B 69 8.831 8.347 -6.318 1.00 0.00 C ATOM 2195 O LYS B 69 9.287 9.337 -5.782 1.00 0.00 O ATOM 2196 CB LYS B 69 6.817 9.427 -7.363 1.00 0.00 C ATOM 2197 CG LYS B 69 6.354 9.962 -8.720 1.00 0.00 C ATOM 2198 CD LYS B 69 7.439 10.865 -9.310 1.00 0.00 C ATOM 2199 CE LYS B 69 7.677 10.486 -10.774 1.00 0.00 C ATOM 2200 NZ LYS B 69 8.699 9.403 -10.728 1.00 0.00 N ATOM 0 H LYS B 69 6.370 7.022 -7.507 1.00 0.00 H new ATOM 0 HA LYS B 69 8.622 8.758 -8.381 1.00 0.00 H new ATOM 0 HB2 LYS B 69 5.989 8.935 -6.852 1.00 0.00 H new ATOM 0 HB3 LYS B 69 7.140 10.251 -6.726 1.00 0.00 H new ATOM 0 HG2 LYS B 69 6.147 9.134 -9.398 1.00 0.00 H new ATOM 0 HG3 LYS B 69 5.425 10.520 -8.605 1.00 0.00 H new ATOM 0 HD2 LYS B 69 7.137 11.910 -9.238 1.00 0.00 H new ATOM 0 HD3 LYS B 69 8.363 10.761 -8.741 1.00 0.00 H new ATOM 0 HE2 LYS B 69 6.758 10.142 -11.248 1.00 0.00 H new ATOM 0 HE3 LYS B 69 8.032 11.340 -11.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 9.065 9.230 -11.686 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 9.481 9.690 -10.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 8.266 8.532 -10.360 1.00 0.00 H new