USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 829 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: A 74 THR OG1 : rot 180:sc= 0.418 USER MOD Set 1.2: A 79 THR OG1 : rot 70:sc= 1.36 USER MOD Single : A 23 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0569) USER MOD Single : A 29 HIS : no HD1:sc= -3.76 K(o=-3.8,f=-4.9!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 33 THR OG1 : rot -17:sc= 0.82 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.0494 K(o=-0.049,f=-2.2) USER MOD Single : A 49 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.68) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.57) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 158:sc= -1.19! (180deg=-5.22!) USER MOD Single : A 67 THR OG1 : rot 68:sc= 0.668 USER MOD Single : A 68 SER OG : rot 70:sc= 0.256 USER MOD Single : A 71 HIS : no HD1:sc= -2.38! C(o=-2.4!,f=-5.2!) USER MOD Single : A 75 SER OG : rot -28:sc= 0.987 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 95:sc= -0.705 USER MOD Single : A 94 TYR OH : rot 49:sc= 0.65 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0472 USER MOD Single : A 99 GLN : amide:sc=-0.00336 K(o=-0.0034,f=-0.77) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 MET CE :methyl 137:sc= -1.5 (180deg=-2.04!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 228 N ILE A 18 26.231 -2.943 8.731 1.00 0.00 N ATOM 229 CA ILE A 18 25.089 -2.124 8.343 1.00 0.00 C ATOM 230 C ILE A 18 25.292 -0.669 8.754 1.00 0.00 C ATOM 231 O ILE A 18 25.669 -0.380 9.889 1.00 0.00 O ATOM 232 CB ILE A 18 23.783 -2.645 8.971 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.505 -4.077 8.508 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.621 -1.731 8.613 1.00 0.00 C ATOM 235 CD1 ILE A 18 22.484 -4.799 9.358 1.00 0.00 C ATOM 0 HA ILE A 18 25.010 -2.186 7.258 1.00 0.00 H new ATOM 0 HB ILE A 18 23.895 -2.649 10.055 1.00 0.00 H new ATOM 0 HG12 ILE A 18 23.156 -4.055 7.476 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.438 -4.641 8.517 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.705 -2.113 9.064 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.819 -0.727 8.988 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.505 -1.697 7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 18 22.337 -5.808 8.972 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.840 -4.853 10.387 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.538 -4.258 9.329 1.00 0.00 H new ATOM 247 N ALA A 19 25.037 0.244 7.822 1.00 0.00 N ATOM 248 CA ALA A 19 25.187 1.669 8.088 1.00 0.00 C ATOM 249 C ALA A 19 23.989 2.214 8.857 1.00 0.00 C ATOM 250 O ALA A 19 24.148 2.914 9.857 1.00 0.00 O ATOM 251 CB ALA A 19 25.371 2.432 6.784 1.00 0.00 C ATOM 0 H ALA A 19 24.726 0.022 6.876 1.00 0.00 H new ATOM 0 HA ALA A 19 26.074 1.806 8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.482 3.495 6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.263 2.069 6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.500 2.279 6.147 1.00 0.00 H new ATOM 257 N GLU A 20 22.790 1.887 8.385 1.00 0.00 N ATOM 258 CA GLU A 20 21.565 2.346 9.029 1.00 0.00 C ATOM 259 C GLU A 20 20.440 1.331 8.846 1.00 0.00 C ATOM 260 O GLU A 20 20.166 0.863 7.740 1.00 0.00 O ATOM 261 CB GLU A 20 21.140 3.702 8.461 1.00 0.00 C ATOM 262 CG GLU A 20 20.234 4.494 9.389 1.00 0.00 C ATOM 263 CD GLU A 20 20.957 4.991 10.626 1.00 0.00 C ATOM 264 OE1 GLU A 20 22.035 5.604 10.476 1.00 0.00 O ATOM 265 OE2 GLU A 20 20.445 4.769 11.743 1.00 0.00 O ATOM 0 H GLU A 20 22.641 1.306 7.560 1.00 0.00 H new ATOM 0 HA GLU A 20 21.765 2.453 10.095 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.031 4.292 8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.626 3.544 7.513 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.821 5.345 8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.393 3.869 9.691 1.00 0.00 H new ATOM 272 N PRO A 21 19.773 0.981 9.955 1.00 0.00 N ATOM 273 CA PRO A 21 18.668 0.018 9.944 1.00 0.00 C ATOM 274 C PRO A 21 17.426 0.569 9.253 1.00 0.00 C ATOM 275 O PRO A 21 17.167 1.773 9.256 1.00 0.00 O ATOM 276 CB PRO A 21 18.391 -0.222 11.430 1.00 0.00 C ATOM 277 CG PRO A 21 18.870 1.014 12.109 1.00 0.00 C ATOM 278 CD PRO A 21 20.046 1.498 11.307 1.00 0.00 C ATOM 0 HA PRO A 21 18.922 -0.887 9.392 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.329 -0.388 11.613 1.00 0.00 H new ATOM 0 HB3 PRO A 21 18.919 -1.103 11.794 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.085 1.769 12.145 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.159 0.806 13.139 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.117 2.586 11.315 1.00 0.00 H new ATOM 0 HD3 PRO A 21 20.987 1.114 11.702 1.00 0.00 H new ATOM 286 N PRO A 22 16.637 -0.330 8.646 1.00 0.00 N ATOM 287 CA PRO A 22 15.407 0.045 7.940 1.00 0.00 C ATOM 288 C PRO A 22 14.311 0.509 8.893 1.00 0.00 C ATOM 289 O PRO A 22 14.159 -0.027 9.990 1.00 0.00 O ATOM 290 CB PRO A 22 14.992 -1.251 7.239 1.00 0.00 C ATOM 291 CG PRO A 22 15.595 -2.337 8.062 1.00 0.00 C ATOM 292 CD PRO A 22 16.884 -1.781 8.602 1.00 0.00 C ATOM 0 HA PRO A 22 15.566 0.882 7.260 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.907 -1.346 7.192 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.359 -1.281 6.213 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.927 -2.630 8.872 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.776 -3.228 7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.111 -2.180 9.591 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.728 -2.026 7.958 1.00 0.00 H new ATOM 300 N LYS A 23 13.549 1.511 8.466 1.00 0.00 N ATOM 301 CA LYS A 23 12.464 2.047 9.279 1.00 0.00 C ATOM 302 C LYS A 23 11.350 2.606 8.400 1.00 0.00 C ATOM 303 O LYS A 23 11.498 3.668 7.794 1.00 0.00 O ATOM 304 CB LYS A 23 12.991 3.142 10.210 1.00 0.00 C ATOM 305 CG LYS A 23 12.092 3.410 11.404 1.00 0.00 C ATOM 306 CD LYS A 23 12.277 2.362 12.489 1.00 0.00 C ATOM 307 CE LYS A 23 13.506 2.650 13.338 1.00 0.00 C ATOM 308 NZ LYS A 23 13.274 3.774 14.286 1.00 0.00 N ATOM 0 H LYS A 23 13.663 1.968 7.561 1.00 0.00 H new ATOM 0 HA LYS A 23 12.056 1.233 9.878 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.981 2.858 10.568 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.110 4.064 9.641 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.310 4.398 11.810 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.051 3.421 11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.392 2.335 13.125 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.372 1.377 12.032 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.780 1.755 13.896 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.348 2.890 12.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.057 3.820 14.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.222 4.668 13.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.380 3.620 14.795 1.00 0.00 H new ATOM 322 N ILE A 24 10.235 1.886 8.337 1.00 0.00 N ATOM 323 CA ILE A 24 9.095 2.312 7.535 1.00 0.00 C ATOM 324 C ILE A 24 8.278 3.376 8.261 1.00 0.00 C ATOM 325 O ILE A 24 7.312 3.063 8.957 1.00 0.00 O ATOM 326 CB ILE A 24 8.178 1.126 7.185 1.00 0.00 C ATOM 327 CG1 ILE A 24 8.934 0.099 6.340 1.00 0.00 C ATOM 328 CG2 ILE A 24 6.937 1.614 6.452 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.282 -1.265 6.320 1.00 0.00 C ATOM 0 H ILE A 24 10.097 1.005 8.832 1.00 0.00 H new ATOM 0 HA ILE A 24 9.498 2.733 6.614 1.00 0.00 H new ATOM 0 HB ILE A 24 7.863 0.644 8.111 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.014 0.470 5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.950 0.002 6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.299 0.764 6.211 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.390 2.310 7.087 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.233 2.118 5.532 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.872 -1.941 5.702 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.227 -1.657 7.336 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.276 -1.182 5.908 1.00 0.00 H new ATOM 341 N ARG A 25 8.672 4.634 8.091 1.00 0.00 N ATOM 342 CA ARG A 25 7.976 5.745 8.730 1.00 0.00 C ATOM 343 C ARG A 25 6.556 5.879 8.189 1.00 0.00 C ATOM 344 O ARG A 25 6.352 6.281 7.042 1.00 0.00 O ATOM 345 CB ARG A 25 8.743 7.050 8.510 1.00 0.00 C ATOM 346 CG ARG A 25 10.137 7.047 9.116 1.00 0.00 C ATOM 347 CD ARG A 25 10.083 7.063 10.636 1.00 0.00 C ATOM 348 NE ARG A 25 9.962 8.419 11.165 1.00 0.00 N ATOM 349 CZ ARG A 25 8.799 9.025 11.375 1.00 0.00 C ATOM 350 NH1 ARG A 25 7.663 8.398 11.104 1.00 0.00 N ATOM 351 NH2 ARG A 25 8.771 10.260 11.859 1.00 0.00 N ATOM 0 H ARG A 25 9.469 4.909 7.517 1.00 0.00 H new ATOM 0 HA ARG A 25 7.921 5.540 9.799 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.822 7.239 7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.172 7.874 8.938 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.680 6.164 8.779 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.691 7.916 8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.237 6.465 10.975 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.984 6.597 11.036 1.00 0.00 H new ATOM 0 HE ARG A 25 10.818 8.929 11.385 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.681 7.448 10.733 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.771 8.866 11.266 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.643 10.745 12.070 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.877 10.725 12.020 1.00 0.00 H new ATOM 365 N LEU A 26 5.577 5.540 9.020 1.00 0.00 N ATOM 366 CA LEU A 26 4.175 5.623 8.626 1.00 0.00 C ATOM 367 C LEU A 26 3.520 6.875 9.199 1.00 0.00 C ATOM 368 O LEU A 26 3.701 7.221 10.367 1.00 0.00 O ATOM 369 CB LEU A 26 3.418 4.378 9.094 1.00 0.00 C ATOM 370 CG LEU A 26 3.389 3.203 8.116 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.875 1.948 8.805 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.530 3.538 6.905 1.00 0.00 C ATOM 0 H LEU A 26 5.728 5.205 9.971 1.00 0.00 H new ATOM 0 HA LEU A 26 4.133 5.679 7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.863 4.036 10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.390 4.665 9.317 1.00 0.00 H new ATOM 0 HG LEU A 26 4.407 3.015 7.774 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.861 1.122 8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.530 1.697 9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.865 2.124 9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.521 2.690 6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.512 3.753 7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.941 4.411 6.397 1.00 0.00 H new ATOM 384 N PRO A 27 2.739 7.573 8.361 1.00 0.00 N ATOM 385 CA PRO A 27 2.040 8.796 8.763 1.00 0.00 C ATOM 386 C PRO A 27 0.906 8.519 9.745 1.00 0.00 C ATOM 387 O PRO A 27 0.790 7.416 10.278 1.00 0.00 O ATOM 388 CB PRO A 27 1.484 9.337 7.443 1.00 0.00 C ATOM 389 CG PRO A 27 1.355 8.140 6.567 1.00 0.00 C ATOM 390 CD PRO A 27 2.479 7.219 6.955 1.00 0.00 C ATOM 0 HA PRO A 27 2.701 9.492 9.280 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.521 9.826 7.590 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.154 10.077 7.005 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.388 7.656 6.707 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.423 8.417 5.515 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.195 6.172 6.850 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.360 7.375 6.332 1.00 0.00 H new ATOM 398 N ARG A 28 0.072 9.528 9.978 1.00 0.00 N ATOM 399 CA ARG A 28 -1.052 9.393 10.897 1.00 0.00 C ATOM 400 C ARG A 28 -2.373 9.342 10.135 1.00 0.00 C ATOM 401 O ARG A 28 -3.445 9.252 10.735 1.00 0.00 O ATOM 402 CB ARG A 28 -1.068 10.555 11.891 1.00 0.00 C ATOM 403 CG ARG A 28 -1.928 11.726 11.444 1.00 0.00 C ATOM 404 CD ARG A 28 -1.970 12.821 12.499 1.00 0.00 C ATOM 405 NE ARG A 28 -2.726 12.413 13.680 1.00 0.00 N ATOM 406 CZ ARG A 28 -2.837 13.158 14.775 1.00 0.00 C ATOM 407 NH1 ARG A 28 -2.245 14.342 14.838 1.00 0.00 N ATOM 408 NH2 ARG A 28 -3.543 12.718 15.809 1.00 0.00 N ATOM 0 H ARG A 28 0.154 10.447 9.543 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.932 8.458 11.444 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.432 10.194 12.853 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.047 10.903 12.047 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.535 12.132 10.512 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.940 11.378 11.239 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.953 13.082 12.792 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.419 13.718 12.073 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.194 11.507 13.664 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.702 14.684 14.045 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.332 14.912 15.680 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.001 11.808 15.764 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.628 13.290 16.649 1.00 0.00 H new ATOM 422 N HIS A 29 -2.289 9.400 8.810 1.00 0.00 N ATOM 423 CA HIS A 29 -3.478 9.361 7.965 1.00 0.00 C ATOM 424 C HIS A 29 -3.604 8.010 7.268 1.00 0.00 C ATOM 425 O HIS A 29 -4.465 7.822 6.407 1.00 0.00 O ATOM 426 CB HIS A 29 -3.429 10.482 6.927 1.00 0.00 C ATOM 427 CG HIS A 29 -2.044 10.798 6.451 1.00 0.00 C ATOM 428 ND1 HIS A 29 -1.435 10.129 5.411 1.00 0.00 N ATOM 429 CD2 HIS A 29 -1.150 11.719 6.879 1.00 0.00 C ATOM 430 CE1 HIS A 29 -0.225 10.624 5.221 1.00 0.00 C ATOM 431 NE2 HIS A 29 -0.028 11.591 6.098 1.00 0.00 N ATOM 0 H HIS A 29 -1.410 9.474 8.298 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.351 9.504 8.601 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.043 10.201 6.071 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.871 11.382 7.355 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.292 12.424 7.685 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.483 10.294 4.475 1.00 0.00 H new ATOM 0 HE2 HIS A 29 0.820 12.152 6.182 1.00 0.00 H new ATOM 440 N LEU A 30 -2.741 7.073 7.644 1.00 0.00 N ATOM 441 CA LEU A 30 -2.756 5.739 7.054 1.00 0.00 C ATOM 442 C LEU A 30 -2.688 4.664 8.134 1.00 0.00 C ATOM 443 O LEU A 30 -2.455 3.491 7.843 1.00 0.00 O ATOM 444 CB LEU A 30 -1.585 5.576 6.082 1.00 0.00 C ATOM 445 CG LEU A 30 -1.462 6.644 4.995 1.00 0.00 C ATOM 446 CD1 LEU A 30 -0.169 6.465 4.214 1.00 0.00 C ATOM 447 CD2 LEU A 30 -2.663 6.594 4.060 1.00 0.00 C ATOM 0 H LEU A 30 -2.022 7.212 8.354 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.692 5.621 6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.660 5.564 6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.672 4.603 5.599 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.440 7.622 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.099 7.234 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.680 6.551 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.160 5.481 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.559 7.361 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.716 5.613 3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.575 6.772 4.630 1.00 0.00 H new ATOM 459 N ARG A 31 -2.894 5.074 9.382 1.00 0.00 N ATOM 460 CA ARG A 31 -2.857 4.146 10.506 1.00 0.00 C ATOM 461 C ARG A 31 -4.177 3.391 10.632 1.00 0.00 C ATOM 462 O ARG A 31 -4.200 2.222 11.016 1.00 0.00 O ATOM 463 CB ARG A 31 -2.561 4.898 11.805 1.00 0.00 C ATOM 464 CG ARG A 31 -1.140 5.431 11.890 1.00 0.00 C ATOM 465 CD ARG A 31 -0.876 6.101 13.230 1.00 0.00 C ATOM 466 NE ARG A 31 -0.414 5.148 14.236 1.00 0.00 N ATOM 467 CZ ARG A 31 0.814 4.644 14.262 1.00 0.00 C ATOM 468 NH1 ARG A 31 1.700 5.001 13.343 1.00 0.00 N ATOM 469 NH2 ARG A 31 1.159 3.782 15.210 1.00 0.00 N ATOM 0 H ARG A 31 -3.088 6.042 9.640 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.062 3.423 10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.258 5.730 11.900 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.742 4.233 12.649 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.434 4.613 11.745 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.969 6.145 11.085 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.129 6.885 13.103 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.788 6.584 13.580 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.071 4.853 14.958 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.439 5.664 12.614 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.643 4.612 13.365 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.480 3.506 15.920 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.103 3.395 15.229 1.00 0.00 H new ATOM 483 N GLN A 32 -5.274 4.069 10.307 1.00 0.00 N ATOM 484 CA GLN A 32 -6.597 3.462 10.385 1.00 0.00 C ATOM 485 C GLN A 32 -7.083 3.036 9.004 1.00 0.00 C ATOM 486 O GLN A 32 -7.203 1.844 8.716 1.00 0.00 O ATOM 487 CB GLN A 32 -7.593 4.440 11.010 1.00 0.00 C ATOM 488 CG GLN A 32 -7.197 4.906 12.402 1.00 0.00 C ATOM 489 CD GLN A 32 -8.126 5.972 12.946 1.00 0.00 C ATOM 490 OE1 GLN A 32 -8.371 6.990 12.297 1.00 0.00 O ATOM 491 NE2 GLN A 32 -8.651 5.745 14.145 1.00 0.00 N ATOM 0 H GLN A 32 -5.272 5.038 9.988 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.526 2.575 11.014 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.693 5.309 10.360 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.573 3.965 11.060 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.193 4.052 13.080 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.179 5.296 12.375 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.421 4.888 14.648 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.284 6.428 14.562 1.00 0.00 H new ATOM 500 N THR A 33 -7.362 4.017 8.151 1.00 0.00 N ATOM 501 CA THR A 33 -7.836 3.744 6.800 1.00 0.00 C ATOM 502 C THR A 33 -7.760 4.992 5.928 1.00 0.00 C ATOM 503 O THR A 33 -8.056 6.097 6.382 1.00 0.00 O ATOM 504 CB THR A 33 -9.286 3.225 6.808 1.00 0.00 C ATOM 505 OG1 THR A 33 -9.369 2.016 7.572 1.00 0.00 O ATOM 506 CG2 THR A 33 -9.778 2.971 5.391 1.00 0.00 C ATOM 0 H THR A 33 -7.268 5.008 8.372 1.00 0.00 H new ATOM 0 HA THR A 33 -7.184 2.974 6.386 1.00 0.00 H new ATOM 0 HB THR A 33 -9.919 3.986 7.264 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.472 1.640 7.687 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.804 2.605 5.422 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.741 3.899 4.821 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.142 2.226 4.913 1.00 0.00 H new ATOM 514 N TYR A 34 -7.364 4.808 4.674 1.00 0.00 N ATOM 515 CA TYR A 34 -7.247 5.920 3.738 1.00 0.00 C ATOM 516 C TYR A 34 -8.515 6.063 2.902 1.00 0.00 C ATOM 517 O TYR A 34 -8.707 5.349 1.917 1.00 0.00 O ATOM 518 CB TYR A 34 -6.039 5.719 2.822 1.00 0.00 C ATOM 519 CG TYR A 34 -5.573 6.990 2.147 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.357 8.150 2.881 1.00 0.00 C ATOM 521 CD2 TYR A 34 -5.349 7.030 0.777 1.00 0.00 C ATOM 522 CE1 TYR A 34 -4.932 9.313 2.268 1.00 0.00 C ATOM 523 CE2 TYR A 34 -4.923 8.188 0.156 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.716 9.327 0.906 1.00 0.00 C ATOM 525 OH TYR A 34 -4.293 10.483 0.292 1.00 0.00 O ATOM 0 H TYR A 34 -7.118 3.899 4.282 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.108 6.834 4.315 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.217 5.304 3.405 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.291 4.983 2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.524 8.142 3.948 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.511 6.140 0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.770 10.207 2.852 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.753 8.202 -0.910 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.187 10.323 -0.669 1.00 0.00 H new ATOM 535 N ILE A 35 -9.378 6.992 3.301 1.00 0.00 N ATOM 536 CA ILE A 35 -10.627 7.231 2.589 1.00 0.00 C ATOM 537 C ILE A 35 -10.414 8.170 1.406 1.00 0.00 C ATOM 538 O ILE A 35 -9.810 9.233 1.546 1.00 0.00 O ATOM 539 CB ILE A 35 -11.700 7.828 3.518 1.00 0.00 C ATOM 540 CG1 ILE A 35 -12.168 6.782 4.532 1.00 0.00 C ATOM 541 CG2 ILE A 35 -12.875 8.348 2.704 1.00 0.00 C ATOM 542 CD1 ILE A 35 -11.080 5.819 4.952 1.00 0.00 C ATOM 0 H ILE A 35 -9.235 7.591 4.114 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.972 6.264 2.224 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.263 8.664 4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -12.553 7.291 5.416 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.996 6.218 4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.625 8.767 3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.529 9.121 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.314 7.529 2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.483 5.106 5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.711 5.283 4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.261 6.373 5.410 1.00 0.00 H new ATOM 554 N ARG A 36 -10.916 7.770 0.242 1.00 0.00 N ATOM 555 CA ARG A 36 -10.781 8.576 -0.965 1.00 0.00 C ATOM 556 C ARG A 36 -11.928 8.300 -1.934 1.00 0.00 C ATOM 557 O ARG A 36 -12.492 7.206 -1.949 1.00 0.00 O ATOM 558 CB ARG A 36 -9.443 8.291 -1.648 1.00 0.00 C ATOM 559 CG ARG A 36 -8.315 9.196 -1.180 1.00 0.00 C ATOM 560 CD ARG A 36 -8.428 10.586 -1.786 1.00 0.00 C ATOM 561 NE ARG A 36 -9.224 11.484 -0.953 1.00 0.00 N ATOM 562 CZ ARG A 36 -8.858 11.875 0.262 1.00 0.00 C ATOM 563 NH1 ARG A 36 -7.715 11.451 0.783 1.00 0.00 N ATOM 564 NH2 ARG A 36 -9.636 12.694 0.959 1.00 0.00 N ATOM 0 H ARG A 36 -11.420 6.893 0.110 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.817 9.626 -0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.165 7.253 -1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.564 8.403 -2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.333 9.269 -0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.356 8.755 -1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.431 11.005 -1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.879 10.514 -2.776 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.109 11.829 -1.325 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.114 10.822 0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.437 11.753 1.717 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.516 13.023 0.561 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.354 12.994 1.892 1.00 0.00 H new ATOM 578 N LYS A 37 -12.268 9.300 -2.740 1.00 0.00 N ATOM 579 CA LYS A 37 -13.346 9.166 -3.713 1.00 0.00 C ATOM 580 C LYS A 37 -12.856 8.463 -4.975 1.00 0.00 C ATOM 581 O LYS A 37 -11.652 8.339 -5.201 1.00 0.00 O ATOM 582 CB LYS A 37 -13.911 10.542 -4.070 1.00 0.00 C ATOM 583 CG LYS A 37 -14.976 11.032 -3.104 1.00 0.00 C ATOM 584 CD LYS A 37 -15.827 12.129 -3.721 1.00 0.00 C ATOM 585 CE LYS A 37 -15.157 13.489 -3.600 1.00 0.00 C ATOM 586 NZ LYS A 37 -16.034 14.585 -4.094 1.00 0.00 N ATOM 0 H LYS A 37 -11.812 10.213 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.134 8.561 -3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.095 11.265 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.334 10.503 -5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.613 10.198 -2.810 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.501 11.406 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.007 11.903 -4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.800 12.156 -3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.897 13.674 -2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.225 13.486 -4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.541 15.495 -3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.262 14.422 -5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.912 14.604 -3.538 1.00 0.00 H new ATOM 600 N VAL A 38 -13.797 8.005 -5.795 1.00 0.00 N ATOM 601 CA VAL A 38 -13.460 7.317 -7.035 1.00 0.00 C ATOM 602 C VAL A 38 -13.139 8.311 -8.146 1.00 0.00 C ATOM 603 O VAL A 38 -13.636 9.436 -8.149 1.00 0.00 O ATOM 604 CB VAL A 38 -14.609 6.401 -7.498 1.00 0.00 C ATOM 605 CG1 VAL A 38 -15.135 5.574 -6.334 1.00 0.00 C ATOM 606 CG2 VAL A 38 -15.725 7.222 -8.126 1.00 0.00 C ATOM 0 H VAL A 38 -14.798 8.098 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.579 6.709 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.223 5.717 -8.254 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.946 4.933 -6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.331 4.957 -5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.506 6.239 -5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.528 6.559 -8.447 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.111 7.931 -7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.337 7.765 -8.988 1.00 0.00 H new ATOM 616 N GLY A 39 -12.304 7.887 -9.089 1.00 0.00 N ATOM 617 CA GLY A 39 -11.931 8.752 -10.193 1.00 0.00 C ATOM 618 C GLY A 39 -10.821 9.717 -9.824 1.00 0.00 C ATOM 619 O GLY A 39 -10.080 10.180 -10.690 1.00 0.00 O ATOM 0 H GLY A 39 -11.879 6.960 -9.108 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.611 8.141 -11.037 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.805 9.316 -10.520 1.00 0.00 H new ATOM 623 N GLU A 40 -10.709 10.021 -8.535 1.00 0.00 N ATOM 624 CA GLU A 40 -9.683 10.940 -8.054 1.00 0.00 C ATOM 625 C GLU A 40 -8.297 10.309 -8.155 1.00 0.00 C ATOM 626 O GLU A 40 -8.165 9.090 -8.253 1.00 0.00 O ATOM 627 CB GLU A 40 -9.967 11.344 -6.606 1.00 0.00 C ATOM 628 CG GLU A 40 -10.862 12.566 -6.480 1.00 0.00 C ATOM 629 CD GLU A 40 -10.093 13.867 -6.602 1.00 0.00 C ATOM 630 OE1 GLU A 40 -9.272 14.158 -5.708 1.00 0.00 O ATOM 631 OE2 GLU A 40 -10.313 14.595 -7.593 1.00 0.00 O ATOM 0 H GLU A 40 -11.315 9.645 -7.806 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.705 11.830 -8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.435 10.506 -6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.022 11.543 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.631 12.529 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.374 12.539 -5.518 1.00 0.00 H new ATOM 638 N GLN A 41 -7.268 11.150 -8.133 1.00 0.00 N ATOM 639 CA GLN A 41 -5.892 10.675 -8.223 1.00 0.00 C ATOM 640 C GLN A 41 -5.357 10.292 -6.847 1.00 0.00 C ATOM 641 O GLN A 41 -5.398 11.090 -5.909 1.00 0.00 O ATOM 642 CB GLN A 41 -5.000 11.748 -8.850 1.00 0.00 C ATOM 643 CG GLN A 41 -5.325 12.034 -10.307 1.00 0.00 C ATOM 644 CD GLN A 41 -4.964 13.448 -10.719 1.00 0.00 C ATOM 645 OE1 GLN A 41 -5.777 14.366 -10.609 1.00 0.00 O ATOM 646 NE2 GLN A 41 -3.738 13.630 -11.197 1.00 0.00 N ATOM 0 H GLN A 41 -7.361 12.163 -8.054 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.881 9.788 -8.856 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.097 12.670 -8.277 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.959 11.434 -8.773 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.789 11.327 -10.940 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.389 11.871 -10.477 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.097 12.840 -11.271 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.438 14.560 -11.490 1.00 0.00 H new ATOM 655 N LEU A 42 -4.856 9.067 -6.733 1.00 0.00 N ATOM 656 CA LEU A 42 -4.312 8.578 -5.471 1.00 0.00 C ATOM 657 C LEU A 42 -2.865 9.026 -5.291 1.00 0.00 C ATOM 658 O LEU A 42 -2.098 9.082 -6.252 1.00 0.00 O ATOM 659 CB LEU A 42 -4.396 7.052 -5.415 1.00 0.00 C ATOM 660 CG LEU A 42 -5.686 6.472 -4.833 1.00 0.00 C ATOM 661 CD1 LEU A 42 -5.790 4.986 -5.143 1.00 0.00 C ATOM 662 CD2 LEU A 42 -5.749 6.711 -3.332 1.00 0.00 C ATOM 0 H LEU A 42 -4.815 8.394 -7.499 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.906 8.999 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.270 6.664 -6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.557 6.683 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.532 6.980 -5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.714 4.590 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.792 4.839 -6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.939 4.463 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.674 6.292 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.897 6.231 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.722 7.782 -3.133 1.00 0.00 H new ATOM 674 N ASN A 43 -2.498 9.342 -4.053 1.00 0.00 N ATOM 675 CA ASN A 43 -1.142 9.783 -3.747 1.00 0.00 C ATOM 676 C ASN A 43 -0.736 9.356 -2.340 1.00 0.00 C ATOM 677 O ASN A 43 -1.254 9.872 -1.349 1.00 0.00 O ATOM 678 CB ASN A 43 -1.036 11.303 -3.882 1.00 0.00 C ATOM 679 CG ASN A 43 0.403 11.782 -3.914 1.00 0.00 C ATOM 680 OD1 ASN A 43 1.335 10.991 -3.765 1.00 0.00 O ATOM 681 ND2 ASN A 43 0.590 13.082 -4.111 1.00 0.00 N ATOM 0 H ASN A 43 -3.120 9.301 -3.246 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.464 9.314 -4.459 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.542 11.620 -4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.555 11.776 -3.048 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.536 13.462 -4.144 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.212 13.700 -4.230 1.00 0.00 H new ATOM 688 N LEU A 44 0.194 8.411 -2.260 1.00 0.00 N ATOM 689 CA LEU A 44 0.671 7.914 -0.974 1.00 0.00 C ATOM 690 C LEU A 44 2.174 8.130 -0.831 1.00 0.00 C ATOM 691 O LEU A 44 2.970 7.538 -1.561 1.00 0.00 O ATOM 692 CB LEU A 44 0.341 6.428 -0.825 1.00 0.00 C ATOM 693 CG LEU A 44 -1.144 6.066 -0.834 1.00 0.00 C ATOM 694 CD1 LEU A 44 -1.329 4.574 -1.065 1.00 0.00 C ATOM 695 CD2 LEU A 44 -1.805 6.492 0.469 1.00 0.00 C ATOM 0 H LEU A 44 0.633 7.973 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 44 0.166 8.472 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.832 5.885 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.776 6.072 0.109 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.623 6.602 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.393 4.335 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.892 4.297 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.835 4.018 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.862 6.226 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.322 5.985 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.705 7.570 0.592 1.00 0.00 H new ATOM 707 N VAL A 45 2.558 8.979 0.117 1.00 0.00 N ATOM 708 CA VAL A 45 3.966 9.271 0.358 1.00 0.00 C ATOM 709 C VAL A 45 4.430 8.677 1.684 1.00 0.00 C ATOM 710 O VAL A 45 4.338 9.319 2.730 1.00 0.00 O ATOM 711 CB VAL A 45 4.232 10.788 0.367 1.00 0.00 C ATOM 712 CG1 VAL A 45 5.695 11.072 0.670 1.00 0.00 C ATOM 713 CG2 VAL A 45 3.824 11.407 -0.962 1.00 0.00 C ATOM 0 H VAL A 45 1.913 9.477 0.731 1.00 0.00 H new ATOM 0 HA VAL A 45 4.528 8.817 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 45 3.629 11.241 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.864 12.149 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.950 10.663 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.321 10.608 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.018 12.479 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.399 10.951 -1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.761 11.235 -1.133 1.00 0.00 H new ATOM 723 N VAL A 46 4.930 7.447 1.632 1.00 0.00 N ATOM 724 CA VAL A 46 5.411 6.766 2.828 1.00 0.00 C ATOM 725 C VAL A 46 6.935 6.752 2.878 1.00 0.00 C ATOM 726 O VAL A 46 7.595 5.962 2.203 1.00 0.00 O ATOM 727 CB VAL A 46 4.893 5.317 2.896 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.247 4.685 4.234 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.391 5.277 2.659 1.00 0.00 C ATOM 0 H VAL A 46 5.013 6.901 0.774 1.00 0.00 H new ATOM 0 HA VAL A 46 5.027 7.322 3.684 1.00 0.00 H new ATOM 0 HB VAL A 46 5.378 4.739 2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.873 3.662 4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.330 4.679 4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.792 5.261 5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.042 4.246 2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.886 5.870 3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.167 5.687 1.674 1.00 0.00 H new ATOM 739 N PRO A 47 7.508 7.647 3.696 1.00 0.00 N ATOM 740 CA PRO A 47 8.961 7.757 3.854 1.00 0.00 C ATOM 741 C PRO A 47 9.557 6.560 4.586 1.00 0.00 C ATOM 742 O PRO A 47 8.902 5.945 5.428 1.00 0.00 O ATOM 743 CB PRO A 47 9.132 9.031 4.686 1.00 0.00 C ATOM 744 CG PRO A 47 7.851 9.170 5.434 1.00 0.00 C ATOM 745 CD PRO A 47 6.782 8.619 4.530 1.00 0.00 C ATOM 0 HA PRO A 47 9.474 7.787 2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.980 8.949 5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.315 9.897 4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.887 8.621 6.375 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.654 10.213 5.680 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.982 8.143 5.097 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.323 9.402 3.927 1.00 0.00 H new ATOM 753 N PHE A 48 10.804 6.234 4.261 1.00 0.00 N ATOM 754 CA PHE A 48 11.488 5.109 4.887 1.00 0.00 C ATOM 755 C PHE A 48 12.966 5.423 5.103 1.00 0.00 C ATOM 756 O PHE A 48 13.582 6.131 4.307 1.00 0.00 O ATOM 757 CB PHE A 48 11.342 3.852 4.027 1.00 0.00 C ATOM 758 CG PHE A 48 11.815 4.035 2.613 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.169 4.107 2.325 1.00 0.00 C ATOM 760 CD2 PHE A 48 10.907 4.135 1.572 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.606 4.277 1.025 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.338 4.304 0.270 1.00 0.00 C ATOM 763 CZ PHE A 48 12.690 4.374 -0.004 1.00 0.00 C ATOM 0 H PHE A 48 11.361 6.733 3.568 1.00 0.00 H new ATOM 0 HA PHE A 48 11.027 4.931 5.858 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.904 3.039 4.487 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.295 3.549 4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 48 13.890 4.029 3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.849 4.080 1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.664 4.334 0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.619 4.381 -0.532 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.030 4.504 -1.021 1.00 0.00 H new ATOM 773 N GLN A 49 13.526 4.890 6.184 1.00 0.00 N ATOM 774 CA GLN A 49 14.931 5.114 6.504 1.00 0.00 C ATOM 775 C GLN A 49 15.742 3.835 6.321 1.00 0.00 C ATOM 776 O GLN A 49 15.183 2.751 6.163 1.00 0.00 O ATOM 777 CB GLN A 49 15.073 5.620 7.941 1.00 0.00 C ATOM 778 CG GLN A 49 14.536 7.028 8.145 1.00 0.00 C ATOM 779 CD GLN A 49 15.235 8.052 7.273 1.00 0.00 C ATOM 780 OE1 GLN A 49 16.425 7.927 6.981 1.00 0.00 O ATOM 781 NE2 GLN A 49 14.498 9.073 6.851 1.00 0.00 N ATOM 0 H GLN A 49 13.029 4.301 6.852 1.00 0.00 H new ATOM 0 HA GLN A 49 15.318 5.869 5.819 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.548 4.939 8.611 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.126 5.597 8.223 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.468 7.040 7.928 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.652 7.309 9.192 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.515 9.137 7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.915 9.793 6.261 1.00 0.00 H new ATOM 790 N GLY A 50 17.065 3.971 6.342 1.00 0.00 N ATOM 791 CA GLY A 50 17.931 2.819 6.176 1.00 0.00 C ATOM 792 C GLY A 50 19.100 3.101 5.253 1.00 0.00 C ATOM 793 O GLY A 50 19.023 3.977 4.391 1.00 0.00 O ATOM 0 H GLY A 50 17.552 4.858 6.471 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.308 2.508 7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.351 1.986 5.778 1.00 0.00 H new ATOM 797 N LYS A 51 20.187 2.357 5.433 1.00 0.00 N ATOM 798 CA LYS A 51 21.378 2.531 4.610 1.00 0.00 C ATOM 799 C LYS A 51 22.062 1.192 4.355 1.00 0.00 C ATOM 800 O LYS A 51 21.850 0.213 5.070 1.00 0.00 O ATOM 801 CB LYS A 51 22.355 3.494 5.287 1.00 0.00 C ATOM 802 CG LYS A 51 22.144 4.947 4.898 1.00 0.00 C ATOM 803 CD LYS A 51 21.163 5.638 5.830 1.00 0.00 C ATOM 804 CE LYS A 51 20.858 7.055 5.369 1.00 0.00 C ATOM 805 NZ LYS A 51 19.875 7.729 6.262 1.00 0.00 N ATOM 0 H LYS A 51 20.267 1.628 6.142 1.00 0.00 H new ATOM 0 HA LYS A 51 21.070 2.950 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.256 3.398 6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.374 3.203 5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 51 23.099 5.472 4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.774 5.000 3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.238 5.063 5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.575 5.663 6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.781 7.635 5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 51 20.467 7.030 4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.694 8.692 5.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.986 7.190 6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.258 7.776 7.228 1.00 0.00 H new ATOM 819 N PRO A 52 22.904 1.146 3.312 1.00 0.00 N ATOM 820 CA PRO A 52 23.164 2.305 2.452 1.00 0.00 C ATOM 821 C PRO A 52 21.960 2.668 1.590 1.00 0.00 C ATOM 822 O PRO A 52 21.552 3.828 1.534 1.00 0.00 O ATOM 823 CB PRO A 52 24.330 1.842 1.575 1.00 0.00 C ATOM 824 CG PRO A 52 24.218 0.357 1.549 1.00 0.00 C ATOM 825 CD PRO A 52 23.667 -0.041 2.890 1.00 0.00 C ATOM 0 HA PRO A 52 23.380 3.203 3.032 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.262 2.262 0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.287 2.160 1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.560 0.029 0.744 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.190 -0.105 1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.030 -0.923 2.817 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.462 -0.279 3.596 1.00 0.00 H new ATOM 833 N ARG A 53 21.395 1.670 0.919 1.00 0.00 N ATOM 834 CA ARG A 53 20.238 1.885 0.059 1.00 0.00 C ATOM 835 C ARG A 53 19.179 0.812 0.293 1.00 0.00 C ATOM 836 O ARG A 53 19.284 -0.315 -0.191 1.00 0.00 O ATOM 837 CB ARG A 53 20.662 1.886 -1.411 1.00 0.00 C ATOM 838 CG ARG A 53 21.034 3.263 -1.937 1.00 0.00 C ATOM 839 CD ARG A 53 22.489 3.595 -1.649 1.00 0.00 C ATOM 840 NE ARG A 53 23.395 2.956 -2.600 1.00 0.00 N ATOM 841 CZ ARG A 53 24.680 3.272 -2.717 1.00 0.00 C ATOM 842 NH1 ARG A 53 25.207 4.214 -1.947 1.00 0.00 N ATOM 843 NH2 ARG A 53 25.440 2.646 -3.606 1.00 0.00 N ATOM 0 H ARG A 53 21.720 0.704 0.954 1.00 0.00 H new ATOM 0 HA ARG A 53 19.808 2.855 0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.513 1.217 -1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 53 19.849 1.483 -2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 53 20.856 3.303 -3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 53 20.391 4.014 -1.479 1.00 0.00 H new ATOM 0 HD2 ARG A 53 22.628 4.675 -1.686 1.00 0.00 H new ATOM 0 HD3 ARG A 53 22.740 3.275 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 53 23.021 2.227 -3.208 1.00 0.00 H new ATOM 0 HH11 ARG A 53 24.625 4.698 -1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 53 26.194 4.455 -2.039 1.00 0.00 H new ATOM 0 HH21 ARG A 53 25.038 1.921 -4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 53 26.427 2.889 -3.695 1.00 0.00 H new ATOM 857 N PRO A 54 18.134 1.168 1.055 1.00 0.00 N ATOM 858 CA PRO A 54 17.036 0.249 1.371 1.00 0.00 C ATOM 859 C PRO A 54 16.170 -0.059 0.154 1.00 0.00 C ATOM 860 O PRO A 54 15.604 0.844 -0.461 1.00 0.00 O ATOM 861 CB PRO A 54 16.227 1.012 2.423 1.00 0.00 C ATOM 862 CG PRO A 54 16.524 2.448 2.161 1.00 0.00 C ATOM 863 CD PRO A 54 17.943 2.494 1.665 1.00 0.00 C ATOM 0 HA PRO A 54 17.401 -0.720 1.713 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.161 0.805 2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.520 0.725 3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.838 2.859 1.420 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.408 3.042 3.067 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.090 3.295 0.940 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.648 2.667 2.478 1.00 0.00 H new ATOM 871 N GLN A 55 16.071 -1.340 -0.187 1.00 0.00 N ATOM 872 CA GLN A 55 15.273 -1.766 -1.331 1.00 0.00 C ATOM 873 C GLN A 55 13.785 -1.733 -0.999 1.00 0.00 C ATOM 874 O GLN A 55 13.367 -2.172 0.072 1.00 0.00 O ATOM 875 CB GLN A 55 15.680 -3.175 -1.766 1.00 0.00 C ATOM 876 CG GLN A 55 15.141 -3.569 -3.131 1.00 0.00 C ATOM 877 CD GLN A 55 15.696 -2.709 -4.249 1.00 0.00 C ATOM 878 OE1 GLN A 55 15.086 -1.715 -4.645 1.00 0.00 O ATOM 879 NE2 GLN A 55 16.860 -3.086 -4.764 1.00 0.00 N ATOM 0 H GLN A 55 16.533 -2.100 0.312 1.00 0.00 H new ATOM 0 HA GLN A 55 15.459 -1.072 -2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.768 -3.242 -1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.327 -3.892 -1.024 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.385 -4.613 -3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.054 -3.492 -3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 55 17.331 -3.917 -4.406 1.00 0.00 H new ATOM 0 HE22 GLN A 55 17.283 -2.545 -5.518 1.00 0.00 H new ATOM 888 N VAL A 56 12.989 -1.209 -1.926 1.00 0.00 N ATOM 889 CA VAL A 56 11.546 -1.119 -1.732 1.00 0.00 C ATOM 890 C VAL A 56 10.821 -2.228 -2.486 1.00 0.00 C ATOM 891 O VAL A 56 11.280 -2.685 -3.533 1.00 0.00 O ATOM 892 CB VAL A 56 11.002 0.244 -2.197 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.489 0.295 -2.048 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.660 1.374 -1.420 1.00 0.00 C ATOM 0 H VAL A 56 13.319 -0.841 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 56 11.362 -1.230 -0.663 1.00 0.00 H new ATOM 0 HB VAL A 56 11.244 0.370 -3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.123 1.266 -2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.037 -0.491 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.221 0.146 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.263 2.330 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.452 1.254 -0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.737 1.349 -1.584 1.00 0.00 H new ATOM 904 N VAL A 57 9.684 -2.656 -1.947 1.00 0.00 N ATOM 905 CA VAL A 57 8.892 -3.711 -2.570 1.00 0.00 C ATOM 906 C VAL A 57 7.411 -3.552 -2.244 1.00 0.00 C ATOM 907 O VAL A 57 7.016 -3.573 -1.079 1.00 0.00 O ATOM 908 CB VAL A 57 9.360 -5.106 -2.115 1.00 0.00 C ATOM 909 CG1 VAL A 57 8.520 -6.191 -2.771 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.836 -5.301 -2.427 1.00 0.00 C ATOM 0 H VAL A 57 9.290 -2.289 -1.081 1.00 0.00 H new ATOM 0 HA VAL A 57 9.035 -3.621 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 57 9.228 -5.180 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.865 -7.170 -2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.475 -6.060 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.618 -6.121 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.149 -6.292 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.996 -5.207 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.421 -4.544 -1.905 1.00 0.00 H new ATOM 920 N TRP A 58 6.597 -3.393 -3.281 1.00 0.00 N ATOM 921 CA TRP A 58 5.159 -3.231 -3.106 1.00 0.00 C ATOM 922 C TRP A 58 4.414 -4.497 -3.515 1.00 0.00 C ATOM 923 O TRP A 58 4.755 -5.136 -4.511 1.00 0.00 O ATOM 924 CB TRP A 58 4.655 -2.041 -3.924 1.00 0.00 C ATOM 925 CG TRP A 58 4.973 -0.715 -3.301 1.00 0.00 C ATOM 926 CD1 TRP A 58 6.029 0.099 -3.600 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.231 -0.051 -2.273 1.00 0.00 C ATOM 928 NE1 TRP A 58 5.987 1.229 -2.819 1.00 0.00 N ATOM 929 CE2 TRP A 58 4.893 1.161 -1.997 1.00 0.00 C ATOM 930 CE3 TRP A 58 3.070 -0.361 -1.560 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.432 2.060 -1.039 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.614 0.532 -0.608 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.294 1.731 -0.355 1.00 0.00 C ATOM 0 H TRP A 58 6.909 -3.373 -4.252 1.00 0.00 H new ATOM 0 HA TRP A 58 4.966 -3.044 -2.050 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.095 -2.081 -4.920 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.576 -2.126 -4.049 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.785 -0.114 -4.341 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.661 1.994 -2.847 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.538 -1.282 -1.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.955 2.985 -0.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.719 0.302 -0.050 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.912 2.408 0.395 1.00 0.00 H new ATOM 944 N THR A 59 3.394 -4.855 -2.742 1.00 0.00 N ATOM 945 CA THR A 59 2.601 -6.045 -3.024 1.00 0.00 C ATOM 946 C THR A 59 1.175 -5.890 -2.510 1.00 0.00 C ATOM 947 O THR A 59 0.944 -5.295 -1.457 1.00 0.00 O ATOM 948 CB THR A 59 3.230 -7.301 -2.392 1.00 0.00 C ATOM 949 OG1 THR A 59 3.518 -7.062 -1.010 1.00 0.00 O ATOM 950 CG2 THR A 59 4.506 -7.693 -3.121 1.00 0.00 C ATOM 0 H THR A 59 3.097 -4.337 -1.915 1.00 0.00 H new ATOM 0 HA THR A 59 2.582 -6.163 -4.107 1.00 0.00 H new ATOM 0 HB THR A 59 2.516 -8.120 -2.477 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.916 -7.866 -0.615 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.932 -8.582 -2.657 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.278 -7.903 -4.166 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.224 -6.875 -3.064 1.00 0.00 H new ATOM 958 N LYS A 60 0.219 -6.431 -3.259 1.00 0.00 N ATOM 959 CA LYS A 60 -1.186 -6.355 -2.878 1.00 0.00 C ATOM 960 C LYS A 60 -1.701 -7.717 -2.425 1.00 0.00 C ATOM 961 O LYS A 60 -2.427 -8.391 -3.154 1.00 0.00 O ATOM 962 CB LYS A 60 -2.027 -5.844 -4.051 1.00 0.00 C ATOM 963 CG LYS A 60 -3.523 -5.895 -3.794 1.00 0.00 C ATOM 964 CD LYS A 60 -4.279 -4.950 -4.713 1.00 0.00 C ATOM 965 CE LYS A 60 -5.548 -4.430 -4.057 1.00 0.00 C ATOM 966 NZ LYS A 60 -5.265 -3.758 -2.758 1.00 0.00 N ATOM 0 H LYS A 60 0.392 -6.927 -4.133 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.274 -5.658 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.740 -4.816 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.798 -6.437 -4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.884 -6.913 -3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.724 -5.632 -2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.637 -4.111 -4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.532 -5.466 -5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.043 -3.729 -4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.239 -5.258 -3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.045 -3.110 -2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.174 -4.474 -2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.378 -3.220 -2.832 1.00 0.00 H new ATOM 980 N GLY A 61 -1.321 -8.116 -1.215 1.00 0.00 N ATOM 981 CA GLY A 61 -1.755 -9.396 -0.685 1.00 0.00 C ATOM 982 C GLY A 61 -0.646 -10.429 -0.683 1.00 0.00 C ATOM 983 O GLY A 61 -0.447 -11.135 0.304 1.00 0.00 O ATOM 0 H GLY A 61 -0.720 -7.576 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.121 -9.259 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.591 -9.766 -1.278 1.00 0.00 H new ATOM 987 N GLY A 62 0.078 -10.520 -1.795 1.00 0.00 N ATOM 988 CA GLY A 62 1.163 -11.478 -1.898 1.00 0.00 C ATOM 989 C GLY A 62 1.621 -11.685 -3.328 1.00 0.00 C ATOM 990 O GLY A 62 1.868 -12.814 -3.750 1.00 0.00 O ATOM 0 H GLY A 62 -0.068 -9.947 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.005 -11.135 -1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.841 -12.432 -1.481 1.00 0.00 H new ATOM 994 N ALA A 63 1.732 -10.592 -4.075 1.00 0.00 N ATOM 995 CA ALA A 63 2.163 -10.658 -5.466 1.00 0.00 C ATOM 996 C ALA A 63 2.533 -9.276 -5.993 1.00 0.00 C ATOM 997 O ALA A 63 2.112 -8.249 -5.460 1.00 0.00 O ATOM 998 CB ALA A 63 1.074 -11.280 -6.327 1.00 0.00 C ATOM 0 H ALA A 63 1.529 -9.650 -3.740 1.00 0.00 H new ATOM 0 HA ALA A 63 3.053 -11.286 -5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.410 -11.323 -7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.861 -12.289 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.170 -10.675 -6.263 1.00 0.00 H new ATOM 1004 N PRO A 64 3.339 -9.246 -7.065 1.00 0.00 N ATOM 1005 CA PRO A 64 3.782 -7.995 -7.687 1.00 0.00 C ATOM 1006 C PRO A 64 2.647 -7.267 -8.398 1.00 0.00 C ATOM 1007 O PRO A 64 1.807 -7.890 -9.048 1.00 0.00 O ATOM 1008 CB PRO A 64 4.837 -8.456 -8.696 1.00 0.00 C ATOM 1009 CG PRO A 64 4.469 -9.864 -9.013 1.00 0.00 C ATOM 1010 CD PRO A 64 3.878 -10.431 -7.752 1.00 0.00 C ATOM 0 HA PRO A 64 4.158 -7.284 -6.951 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.828 -7.833 -9.591 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.841 -8.394 -8.275 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.752 -9.905 -9.833 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.343 -10.435 -9.325 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.097 -11.161 -7.967 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.631 -10.938 -7.148 1.00 0.00 H new ATOM 1018 N LEU A 65 2.628 -5.944 -8.271 1.00 0.00 N ATOM 1019 CA LEU A 65 1.595 -5.130 -8.903 1.00 0.00 C ATOM 1020 C LEU A 65 1.589 -5.335 -10.414 1.00 0.00 C ATOM 1021 O LEU A 65 2.583 -5.769 -10.996 1.00 0.00 O ATOM 1022 CB LEU A 65 1.814 -3.652 -8.578 1.00 0.00 C ATOM 1023 CG LEU A 65 1.771 -3.276 -7.097 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.419 -1.919 -6.871 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.336 -3.275 -6.589 1.00 0.00 C ATOM 0 H LEU A 65 3.316 -5.413 -7.737 1.00 0.00 H new ATOM 0 HA LEU A 65 0.628 -5.443 -8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.782 -3.352 -8.980 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.056 -3.069 -9.102 1.00 0.00 H new ATOM 0 HG LEU A 65 2.334 -4.022 -6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.379 -1.669 -5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.459 -1.954 -7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.885 -1.161 -7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.324 -3.005 -5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.250 -2.551 -7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.095 -4.268 -6.715 1.00 0.00 H new ATOM 1037 N ASP A 66 0.463 -5.019 -11.044 1.00 0.00 N ATOM 1038 CA ASP A 66 0.328 -5.165 -12.489 1.00 0.00 C ATOM 1039 C ASP A 66 1.393 -4.353 -13.219 1.00 0.00 C ATOM 1040 O ASP A 66 1.700 -4.615 -14.383 1.00 0.00 O ATOM 1041 CB ASP A 66 -1.066 -4.724 -12.940 1.00 0.00 C ATOM 1042 CG ASP A 66 -1.612 -3.585 -12.102 1.00 0.00 C ATOM 1043 OD1 ASP A 66 -2.212 -3.862 -11.042 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -1.437 -2.416 -12.505 1.00 0.00 O ATOM 0 H ASP A 66 -0.370 -4.660 -10.577 1.00 0.00 H new ATOM 0 HA ASP A 66 0.465 -6.217 -12.737 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.026 -4.416 -13.985 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.748 -5.572 -12.884 1.00 0.00 H new ATOM 1049 N THR A 67 1.953 -3.365 -12.529 1.00 0.00 N ATOM 1050 CA THR A 67 2.982 -2.513 -13.112 1.00 0.00 C ATOM 1051 C THR A 67 2.667 -2.188 -14.567 1.00 0.00 C ATOM 1052 O THR A 67 3.557 -2.177 -15.418 1.00 0.00 O ATOM 1053 CB THR A 67 4.371 -3.176 -13.034 1.00 0.00 C ATOM 1054 OG1 THR A 67 4.490 -4.182 -14.046 1.00 0.00 O ATOM 1055 CG2 THR A 67 4.598 -3.797 -11.664 1.00 0.00 C ATOM 0 H THR A 67 1.711 -3.135 -11.565 1.00 0.00 H new ATOM 0 HA THR A 67 2.995 -1.591 -12.532 1.00 0.00 H new ATOM 0 HB THR A 67 5.127 -2.407 -13.196 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.508 -3.757 -14.929 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.585 -4.259 -11.633 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.535 -3.023 -10.899 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.837 -4.555 -11.477 1.00 0.00 H new ATOM 1063 N SER A 68 1.395 -1.923 -14.848 1.00 0.00 N ATOM 1064 CA SER A 68 0.962 -1.601 -16.203 1.00 0.00 C ATOM 1065 C SER A 68 0.151 -0.309 -16.221 1.00 0.00 C ATOM 1066 O SER A 68 0.245 0.483 -17.158 1.00 0.00 O ATOM 1067 CB SER A 68 0.131 -2.747 -16.782 1.00 0.00 C ATOM 1068 OG SER A 68 0.961 -3.807 -17.224 1.00 0.00 O ATOM 0 H SER A 68 0.646 -1.925 -14.155 1.00 0.00 H new ATOM 0 HA SER A 68 1.851 -1.460 -16.818 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.563 -3.115 -16.026 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.470 -2.380 -17.614 1.00 0.00 H new ATOM 0 HG SER A 68 1.364 -4.252 -16.449 1.00 0.00 H new ATOM 1074 N ARG A 69 -0.647 -0.104 -15.177 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.476 1.090 -15.073 1.00 0.00 C ATOM 1076 C ARG A 69 -1.056 1.941 -13.879 1.00 0.00 C ATOM 1077 O ARG A 69 -1.329 3.141 -13.831 1.00 0.00 O ATOM 1078 CB ARG A 69 -2.951 0.703 -14.943 1.00 0.00 C ATOM 1079 CG ARG A 69 -3.386 -0.377 -15.920 1.00 0.00 C ATOM 1080 CD ARG A 69 -3.750 0.212 -17.274 1.00 0.00 C ATOM 1081 NE ARG A 69 -4.984 0.990 -17.219 1.00 0.00 N ATOM 1082 CZ ARG A 69 -6.196 0.455 -17.320 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -6.334 -0.854 -17.482 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -7.272 1.229 -17.260 1.00 0.00 N ATOM 0 H ARG A 69 -0.736 -0.749 -14.392 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.340 1.677 -15.982 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.139 0.358 -13.926 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.566 1.590 -15.098 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.583 -1.104 -16.042 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.243 -0.914 -15.513 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.936 0.848 -17.623 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.861 -0.592 -18.001 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.912 2.000 -17.096 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.509 -1.452 -17.529 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.265 -1.263 -17.559 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.169 2.236 -17.136 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.202 0.817 -17.338 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.389 1.313 -12.916 1.00 0.00 N ATOM 1099 CA VAL A 70 0.070 2.012 -11.721 1.00 0.00 C ATOM 1100 C VAL A 70 1.465 2.592 -11.926 1.00 0.00 C ATOM 1101 O VAL A 70 2.370 1.905 -12.401 1.00 0.00 O ATOM 1102 CB VAL A 70 0.088 1.078 -10.496 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.609 1.815 -9.272 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -1.299 0.512 -10.238 1.00 0.00 C ATOM 0 H VAL A 70 -0.154 0.321 -12.940 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.634 2.824 -11.538 1.00 0.00 H new ATOM 0 HB VAL A 70 0.761 0.246 -10.704 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.615 1.140 -8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.623 2.167 -9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.037 2.667 -9.058 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.268 -0.146 -9.369 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.996 1.329 -10.050 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.629 -0.054 -11.109 1.00 0.00 H new ATOM 1114 N HIS A 71 1.632 3.860 -11.564 1.00 0.00 N ATOM 1115 CA HIS A 71 2.918 4.532 -11.707 1.00 0.00 C ATOM 1116 C HIS A 71 3.624 4.647 -10.360 1.00 0.00 C ATOM 1117 O HIS A 71 3.545 5.679 -9.692 1.00 0.00 O ATOM 1118 CB HIS A 71 2.726 5.922 -12.316 1.00 0.00 C ATOM 1119 CG HIS A 71 1.869 5.925 -13.544 1.00 0.00 C ATOM 1120 ND1 HIS A 71 0.819 5.051 -13.731 1.00 0.00 N ATOM 1121 CD2 HIS A 71 1.910 6.703 -14.650 1.00 0.00 C ATOM 1122 CE1 HIS A 71 0.252 5.290 -14.900 1.00 0.00 C ATOM 1123 NE2 HIS A 71 0.896 6.289 -15.478 1.00 0.00 N ATOM 0 H HIS A 71 0.893 4.442 -11.170 1.00 0.00 H new ATOM 0 HA HIS A 71 3.540 3.934 -12.373 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.279 6.578 -11.569 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.702 6.339 -12.563 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.610 7.502 -14.845 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.593 4.760 -15.313 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.676 6.688 -16.391 1.00 0.00 H new ATOM 1132 N VAL A 72 4.313 3.581 -9.965 1.00 0.00 N ATOM 1133 CA VAL A 72 5.033 3.563 -8.697 1.00 0.00 C ATOM 1134 C VAL A 72 6.439 4.130 -8.855 1.00 0.00 C ATOM 1135 O VAL A 72 7.329 3.470 -9.393 1.00 0.00 O ATOM 1136 CB VAL A 72 5.128 2.135 -8.127 1.00 0.00 C ATOM 1137 CG1 VAL A 72 5.876 2.138 -6.802 1.00 0.00 C ATOM 1138 CG2 VAL A 72 3.741 1.533 -7.964 1.00 0.00 C ATOM 0 H VAL A 72 4.388 2.719 -10.505 1.00 0.00 H new ATOM 0 HA VAL A 72 4.469 4.187 -8.003 1.00 0.00 H new ATOM 0 HB VAL A 72 5.686 1.518 -8.831 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.933 1.121 -6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.883 2.526 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.348 2.769 -6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.827 0.524 -7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.155 2.148 -7.281 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.245 1.494 -8.934 1.00 0.00 H new ATOM 1148 N ARG A 73 6.633 5.357 -8.383 1.00 0.00 N ATOM 1149 CA ARG A 73 7.932 6.013 -8.472 1.00 0.00 C ATOM 1150 C ARG A 73 8.640 6.004 -7.121 1.00 0.00 C ATOM 1151 O ARG A 73 8.370 6.842 -6.259 1.00 0.00 O ATOM 1152 CB ARG A 73 7.766 7.453 -8.963 1.00 0.00 C ATOM 1153 CG ARG A 73 7.177 7.555 -10.361 1.00 0.00 C ATOM 1154 CD ARG A 73 7.671 8.799 -11.084 1.00 0.00 C ATOM 1155 NE ARG A 73 9.087 8.704 -11.430 1.00 0.00 N ATOM 1156 CZ ARG A 73 9.713 9.578 -12.210 1.00 0.00 C ATOM 1157 NH1 ARG A 73 9.051 10.606 -12.723 1.00 0.00 N ATOM 1158 NH2 ARG A 73 11.003 9.424 -12.479 1.00 0.00 N ATOM 0 H ARG A 73 5.907 5.917 -7.935 1.00 0.00 H new ATOM 0 HA ARG A 73 8.542 5.460 -9.186 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.124 7.994 -8.267 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.738 7.947 -8.950 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.445 6.668 -10.936 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.089 7.577 -10.298 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.085 8.948 -11.991 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.510 9.673 -10.453 1.00 0.00 H new ATOM 0 HE ARG A 73 9.624 7.924 -11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.059 10.727 -12.519 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.534 11.276 -13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.515 8.634 -12.087 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.483 10.096 -13.078 1.00 0.00 H new ATOM 1172 N THR A 74 9.549 5.050 -6.941 1.00 0.00 N ATOM 1173 CA THR A 74 10.295 4.930 -5.695 1.00 0.00 C ATOM 1174 C THR A 74 11.685 5.541 -5.825 1.00 0.00 C ATOM 1175 O THR A 74 12.312 5.461 -6.881 1.00 0.00 O ATOM 1176 CB THR A 74 10.432 3.458 -5.262 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.139 2.845 -5.193 1.00 0.00 O ATOM 1178 CG2 THR A 74 11.120 3.354 -3.909 1.00 0.00 C ATOM 0 H THR A 74 9.786 4.349 -7.643 1.00 0.00 H new ATOM 0 HA THR A 74 9.732 5.474 -4.936 1.00 0.00 H new ATOM 0 HB THR A 74 11.041 2.940 -6.003 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.235 1.909 -4.919 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.206 2.305 -3.624 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.115 3.795 -3.972 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.533 3.887 -3.161 1.00 0.00 H new ATOM 1186 N SER A 75 12.162 6.151 -4.745 1.00 0.00 N ATOM 1187 CA SER A 75 13.478 6.779 -4.740 1.00 0.00 C ATOM 1188 C SER A 75 14.246 6.421 -3.471 1.00 0.00 C ATOM 1189 O SER A 75 13.651 6.094 -2.444 1.00 0.00 O ATOM 1190 CB SER A 75 13.342 8.298 -4.856 1.00 0.00 C ATOM 1191 OG SER A 75 12.624 8.831 -3.756 1.00 0.00 O ATOM 0 H SER A 75 11.657 6.224 -3.862 1.00 0.00 H new ATOM 0 HA SER A 75 14.035 6.405 -5.599 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.332 8.752 -4.903 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.831 8.551 -5.785 1.00 0.00 H new ATOM 0 HG SER A 75 12.001 8.156 -3.414 1.00 0.00 H new ATOM 1197 N ASP A 76 15.571 6.484 -3.551 1.00 0.00 N ATOM 1198 CA ASP A 76 16.421 6.168 -2.410 1.00 0.00 C ATOM 1199 C ASP A 76 15.963 6.921 -1.165 1.00 0.00 C ATOM 1200 O ASP A 76 16.299 6.547 -0.041 1.00 0.00 O ATOM 1201 CB ASP A 76 17.879 6.513 -2.722 1.00 0.00 C ATOM 1202 CG ASP A 76 18.473 5.609 -3.784 1.00 0.00 C ATOM 1203 OD1 ASP A 76 17.808 5.393 -4.819 1.00 0.00 O ATOM 1204 OD2 ASP A 76 19.602 5.116 -3.580 1.00 0.00 O ATOM 0 H ASP A 76 16.079 6.751 -4.394 1.00 0.00 H new ATOM 0 HA ASP A 76 16.342 5.098 -2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 76 17.941 7.549 -3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.471 6.435 -1.810 1.00 0.00 H new ATOM 1209 N PHE A 77 15.195 7.985 -1.373 1.00 0.00 N ATOM 1210 CA PHE A 77 14.692 8.793 -0.268 1.00 0.00 C ATOM 1211 C PHE A 77 13.402 8.203 0.294 1.00 0.00 C ATOM 1212 O PHE A 77 13.359 7.756 1.441 1.00 0.00 O ATOM 1213 CB PHE A 77 14.449 10.232 -0.728 1.00 0.00 C ATOM 1214 CG PHE A 77 15.699 10.939 -1.169 1.00 0.00 C ATOM 1215 CD1 PHE A 77 16.559 11.499 -0.237 1.00 0.00 C ATOM 1216 CD2 PHE A 77 16.014 11.044 -2.514 1.00 0.00 C ATOM 1217 CE1 PHE A 77 17.710 12.150 -0.639 1.00 0.00 C ATOM 1218 CE2 PHE A 77 17.164 11.693 -2.921 1.00 0.00 C ATOM 1219 CZ PHE A 77 18.012 12.248 -1.983 1.00 0.00 C ATOM 0 H PHE A 77 14.907 8.308 -2.297 1.00 0.00 H new ATOM 0 HA PHE A 77 15.445 8.793 0.520 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.735 10.226 -1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.992 10.793 0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 77 16.327 11.426 0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.354 10.614 -3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 77 18.372 12.581 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.400 11.766 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.910 12.758 -2.300 1.00 0.00 H new ATOM 1229 N ASP A 78 12.353 8.205 -0.521 1.00 0.00 N ATOM 1230 CA ASP A 78 11.062 7.669 -0.107 1.00 0.00 C ATOM 1231 C ASP A 78 10.301 7.100 -1.301 1.00 0.00 C ATOM 1232 O ASP A 78 10.656 7.349 -2.454 1.00 0.00 O ATOM 1233 CB ASP A 78 10.228 8.757 0.572 1.00 0.00 C ATOM 1234 CG ASP A 78 10.140 10.022 -0.260 1.00 0.00 C ATOM 1235 OD1 ASP A 78 11.077 10.845 -0.189 1.00 0.00 O ATOM 1236 OD2 ASP A 78 9.133 10.190 -0.980 1.00 0.00 O ATOM 0 H ASP A 78 12.372 8.572 -1.473 1.00 0.00 H new ATOM 0 HA ASP A 78 11.243 6.863 0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.223 8.377 0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.665 8.993 1.542 1.00 0.00 H new ATOM 1241 N THR A 79 9.254 6.332 -1.018 1.00 0.00 N ATOM 1242 CA THR A 79 8.445 5.725 -2.067 1.00 0.00 C ATOM 1243 C THR A 79 7.192 6.548 -2.341 1.00 0.00 C ATOM 1244 O THR A 79 6.664 7.211 -1.447 1.00 0.00 O ATOM 1245 CB THR A 79 8.031 4.288 -1.697 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.498 3.620 -2.846 1.00 0.00 O ATOM 1247 CG2 THR A 79 6.995 4.294 -0.582 1.00 0.00 C ATOM 0 H THR A 79 8.946 6.115 -0.070 1.00 0.00 H new ATOM 0 HA THR A 79 9.062 5.698 -2.965 1.00 0.00 H new ATOM 0 HB THR A 79 8.916 3.757 -1.347 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.218 3.450 -3.489 1.00 0.00 H new ATOM 0 HG21 THR A 79 6.718 3.269 -0.337 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.414 4.777 0.301 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.111 4.841 -0.910 1.00 0.00 H new ATOM 1255 N VAL A 80 6.718 6.502 -3.582 1.00 0.00 N ATOM 1256 CA VAL A 80 5.525 7.242 -3.973 1.00 0.00 C ATOM 1257 C VAL A 80 4.594 6.379 -4.818 1.00 0.00 C ATOM 1258 O VAL A 80 5.027 5.730 -5.771 1.00 0.00 O ATOM 1259 CB VAL A 80 5.887 8.513 -4.765 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.642 9.339 -5.048 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.921 9.334 -4.009 1.00 0.00 C ATOM 0 H VAL A 80 7.143 5.959 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 80 5.015 7.528 -3.053 1.00 0.00 H new ATOM 0 HB VAL A 80 6.320 8.215 -5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.918 10.233 -5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.938 8.747 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.177 9.630 -4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.166 10.228 -4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.517 9.624 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.822 8.739 -3.863 1.00 0.00 H new ATOM 1271 N PHE A 81 3.314 6.376 -4.462 1.00 0.00 N ATOM 1272 CA PHE A 81 2.321 5.592 -5.187 1.00 0.00 C ATOM 1273 C PHE A 81 1.235 6.493 -5.767 1.00 0.00 C ATOM 1274 O PHE A 81 0.657 7.321 -5.063 1.00 0.00 O ATOM 1275 CB PHE A 81 1.693 4.546 -4.264 1.00 0.00 C ATOM 1276 CG PHE A 81 0.388 4.004 -4.773 1.00 0.00 C ATOM 1277 CD1 PHE A 81 0.363 2.939 -5.658 1.00 0.00 C ATOM 1278 CD2 PHE A 81 -0.814 4.560 -4.365 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -0.837 2.438 -6.128 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -2.017 4.063 -4.831 1.00 0.00 C ATOM 1281 CZ PHE A 81 -2.028 3.001 -5.714 1.00 0.00 C ATOM 0 H PHE A 81 2.940 6.908 -3.676 1.00 0.00 H new ATOM 0 HA PHE A 81 2.825 5.084 -6.010 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.393 3.721 -4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.535 4.989 -3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.292 2.495 -5.985 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.811 5.391 -3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.843 1.607 -6.818 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.947 4.505 -4.505 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.966 2.612 -6.080 1.00 0.00 H new ATOM 1291 N PHE A 82 0.962 6.325 -7.057 1.00 0.00 N ATOM 1292 CA PHE A 82 -0.054 7.123 -7.734 1.00 0.00 C ATOM 1293 C PHE A 82 -0.874 6.262 -8.690 1.00 0.00 C ATOM 1294 O PHE A 82 -0.384 5.266 -9.222 1.00 0.00 O ATOM 1295 CB PHE A 82 0.599 8.276 -8.499 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.290 8.876 -9.551 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.404 8.286 -10.799 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -1.010 10.031 -9.291 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.221 8.838 -11.769 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -1.828 10.587 -10.256 1.00 0.00 C ATOM 1301 CZ PHE A 82 -1.934 9.988 -11.497 1.00 0.00 C ATOM 0 H PHE A 82 1.430 5.644 -7.654 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.723 7.532 -6.977 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.888 9.054 -7.792 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.514 7.917 -8.969 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.151 7.385 -11.017 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.931 10.502 -8.323 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.301 8.369 -12.739 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.383 11.488 -10.041 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.574 10.419 -12.253 1.00 0.00 H new ATOM 1311 N VAL A 83 -2.126 6.654 -8.905 1.00 0.00 N ATOM 1312 CA VAL A 83 -3.015 5.920 -9.797 1.00 0.00 C ATOM 1313 C VAL A 83 -3.989 6.861 -10.499 1.00 0.00 C ATOM 1314 O VAL A 83 -4.715 7.615 -9.851 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.814 4.847 -9.035 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.851 4.206 -9.945 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -2.878 3.796 -8.457 1.00 0.00 C ATOM 0 H VAL A 83 -2.547 7.476 -8.473 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.385 5.433 -10.541 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.338 5.328 -8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.406 3.450 -9.389 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.540 4.970 -10.306 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.351 3.738 -10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.460 3.046 -7.922 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.325 3.318 -9.265 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.178 4.271 -7.769 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.999 6.810 -11.827 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.883 7.658 -12.617 1.00 0.00 C ATOM 1329 C ARG A 84 -6.242 7.807 -11.938 1.00 0.00 C ATOM 1330 O ARG A 84 -6.610 8.896 -11.498 1.00 0.00 O ATOM 1331 CB ARG A 84 -5.063 7.076 -14.020 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.937 7.929 -14.925 1.00 0.00 C ATOM 1333 CD ARG A 84 -5.825 7.494 -16.378 1.00 0.00 C ATOM 1334 NE ARG A 84 -4.752 8.195 -17.078 1.00 0.00 N ATOM 1335 CZ ARG A 84 -4.607 8.187 -18.399 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -5.464 7.517 -19.158 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -3.605 8.849 -18.962 1.00 0.00 N ATOM 0 H ARG A 84 -3.405 6.190 -12.378 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.425 8.644 -12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -4.084 6.956 -14.483 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.501 6.081 -13.938 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.976 7.858 -14.602 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.645 8.975 -14.834 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.645 6.420 -16.422 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.771 7.680 -16.886 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.077 8.720 -16.522 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.236 7.007 -18.728 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.351 7.512 -20.172 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.944 9.365 -18.381 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.495 8.842 -19.976 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.982 6.706 -11.859 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.301 6.716 -11.236 1.00 0.00 C ATOM 1353 C GLN A 85 -8.423 5.600 -10.204 1.00 0.00 C ATOM 1354 O GLN A 85 -8.133 4.439 -10.492 1.00 0.00 O ATOM 1355 CB GLN A 85 -9.391 6.566 -12.298 1.00 0.00 C ATOM 1356 CG GLN A 85 -9.436 5.185 -12.933 1.00 0.00 C ATOM 1357 CD GLN A 85 -10.486 5.077 -14.021 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -10.215 5.354 -15.190 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -11.693 4.674 -13.643 1.00 0.00 N ATOM 0 H GLN A 85 -6.691 5.797 -12.218 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.428 7.672 -10.728 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.359 6.781 -11.846 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.232 7.310 -13.078 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.458 4.950 -13.353 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.639 4.441 -12.162 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.874 4.455 -12.663 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.440 4.584 -14.332 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.853 5.960 -8.999 1.00 0.00 N ATOM 1369 CA ALA A 86 -9.015 4.989 -7.924 1.00 0.00 C ATOM 1370 C ALA A 86 -10.425 4.407 -7.917 1.00 0.00 C ATOM 1371 O ALA A 86 -11.330 4.955 -7.289 1.00 0.00 O ATOM 1372 CB ALA A 86 -8.701 5.631 -6.581 1.00 0.00 C ATOM 0 H ALA A 86 -9.095 6.917 -8.743 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.314 4.173 -8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.826 4.894 -5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.673 5.992 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.379 6.467 -6.410 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.604 3.294 -8.621 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.903 2.637 -8.695 1.00 0.00 C ATOM 1380 C ALA A 87 -12.148 1.765 -7.468 1.00 0.00 C ATOM 1381 O ALA A 87 -11.211 1.215 -6.889 1.00 0.00 O ATOM 1382 CB ALA A 87 -12.003 1.805 -9.964 1.00 0.00 C ATOM 0 H ALA A 87 -9.865 2.828 -9.148 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.672 3.409 -8.719 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.978 1.320 -10.005 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.882 2.451 -10.833 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.221 1.046 -9.964 1.00 0.00 H new ATOM 1388 N ARG A 88 -13.412 1.644 -7.077 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.779 0.840 -5.917 1.00 0.00 C ATOM 1390 C ARG A 88 -12.871 -0.379 -5.791 1.00 0.00 C ATOM 1391 O ARG A 88 -12.374 -0.686 -4.708 1.00 0.00 O ATOM 1392 CB ARG A 88 -15.239 0.394 -6.021 1.00 0.00 C ATOM 1393 CG ARG A 88 -16.222 1.547 -6.143 1.00 0.00 C ATOM 1394 CD ARG A 88 -17.624 1.130 -5.727 1.00 0.00 C ATOM 1395 NE ARG A 88 -18.232 0.219 -6.692 1.00 0.00 N ATOM 1396 CZ ARG A 88 -18.838 0.622 -7.804 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -18.915 1.914 -8.089 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -19.368 -0.269 -8.632 1.00 0.00 N ATOM 0 H ARG A 88 -14.199 2.092 -7.546 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.657 1.456 -5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.349 -0.259 -6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.493 -0.197 -5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.889 2.378 -5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.238 1.905 -7.172 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.584 0.649 -4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -18.250 2.016 -5.621 1.00 0.00 H new ATOM 0 HE ARG A 88 -18.189 -0.782 -6.502 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -18.509 2.601 -7.454 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -19.381 2.221 -8.943 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -19.311 -1.264 -8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -19.833 0.041 -9.485 1.00 0.00 H new ATOM 1412 N SER A 89 -12.659 -1.071 -6.906 1.00 0.00 N ATOM 1413 CA SER A 89 -11.814 -2.259 -6.920 1.00 0.00 C ATOM 1414 C SER A 89 -10.510 -2.007 -6.171 1.00 0.00 C ATOM 1415 O SER A 89 -10.121 -2.785 -5.299 1.00 0.00 O ATOM 1416 CB SER A 89 -11.515 -2.681 -8.360 1.00 0.00 C ATOM 1417 OG SER A 89 -12.617 -3.366 -8.930 1.00 0.00 O ATOM 0 H SER A 89 -13.061 -0.829 -7.812 1.00 0.00 H new ATOM 0 HA SER A 89 -12.352 -3.063 -6.417 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.281 -1.801 -8.959 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.634 -3.323 -8.379 1.00 0.00 H new ATOM 0 HG SER A 89 -12.401 -3.623 -9.851 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.838 -0.914 -6.517 1.00 0.00 N ATOM 1424 CA ASP A 90 -8.577 -0.558 -5.877 1.00 0.00 C ATOM 1425 C ASP A 90 -8.614 -0.879 -4.386 1.00 0.00 C ATOM 1426 O ASP A 90 -7.703 -1.512 -3.854 1.00 0.00 O ATOM 1427 CB ASP A 90 -8.278 0.928 -6.084 1.00 0.00 C ATOM 1428 CG ASP A 90 -7.095 1.401 -5.262 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -6.023 0.765 -5.345 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -7.240 2.406 -4.537 1.00 0.00 O ATOM 0 H ASP A 90 -10.145 -0.260 -7.237 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.785 -1.148 -6.337 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.080 1.112 -7.140 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.158 1.513 -5.818 1.00 0.00 H new ATOM 1435 N SER A 91 -9.674 -0.436 -3.717 1.00 0.00 N ATOM 1436 CA SER A 91 -9.828 -0.672 -2.286 1.00 0.00 C ATOM 1437 C SER A 91 -9.278 -2.041 -1.899 1.00 0.00 C ATOM 1438 O SER A 91 -9.760 -3.071 -2.367 1.00 0.00 O ATOM 1439 CB SER A 91 -11.301 -0.570 -1.886 1.00 0.00 C ATOM 1440 OG SER A 91 -11.860 0.661 -2.309 1.00 0.00 O ATOM 0 H SER A 91 -10.439 0.088 -4.143 1.00 0.00 H new ATOM 0 HA SER A 91 -9.261 0.092 -1.754 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.859 -1.397 -2.326 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.395 -0.663 -0.804 1.00 0.00 H new ATOM 0 HG SER A 91 -12.304 0.539 -3.174 1.00 0.00 H new ATOM 1446 N GLY A 92 -8.263 -2.043 -1.039 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.663 -3.290 -0.603 1.00 0.00 C ATOM 1448 C GLY A 92 -6.625 -3.085 0.482 1.00 0.00 C ATOM 1449 O GLY A 92 -6.733 -2.161 1.287 1.00 0.00 O ATOM 0 H GLY A 92 -7.846 -1.203 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.443 -3.956 -0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.199 -3.785 -1.457 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.616 -3.951 0.506 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.556 -3.862 1.503 1.00 0.00 C ATOM 1455 C GLU A 93 -3.182 -3.898 0.841 1.00 0.00 C ATOM 1456 O GLU A 93 -2.798 -4.900 0.237 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.678 -5.004 2.513 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.743 -4.867 3.703 1.00 0.00 C ATOM 1459 CD GLU A 93 -2.394 -5.516 3.463 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -2.351 -6.754 3.309 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -1.381 -4.786 3.430 1.00 0.00 O ATOM 0 H GLU A 93 -5.511 -4.722 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.663 -2.912 2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.706 -5.051 2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.473 -5.948 2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.599 -3.810 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.208 -5.318 4.580 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.447 -2.798 0.958 1.00 0.00 N ATOM 1469 CA TYR A 94 -1.116 -2.701 0.368 1.00 0.00 C ATOM 1470 C TYR A 94 -0.038 -2.986 1.409 1.00 0.00 C ATOM 1471 O TYR A 94 0.008 -2.349 2.460 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.903 -1.313 -0.237 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.582 -1.125 -1.576 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.924 -1.440 -1.747 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.880 -0.632 -2.669 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.547 -1.271 -2.968 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.495 -0.458 -3.893 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.829 -0.779 -4.038 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.447 -0.608 -5.256 1.00 0.00 O ATOM 0 H TYR A 94 -2.750 -1.961 1.456 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.040 -3.449 -0.422 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.276 -0.561 0.459 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.166 -1.137 -0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.490 -1.824 -0.911 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.165 -0.381 -2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.591 -1.523 -3.084 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.935 -0.073 -4.732 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.289 -0.122 -5.130 1.00 0.00 H new ATOM 1489 N GLU A 95 0.829 -3.947 1.105 1.00 0.00 N ATOM 1490 CA GLU A 95 1.908 -4.317 2.014 1.00 0.00 C ATOM 1491 C GLU A 95 3.239 -3.738 1.542 1.00 0.00 C ATOM 1492 O GLU A 95 3.709 -4.046 0.446 1.00 0.00 O ATOM 1493 CB GLU A 95 2.012 -5.839 2.125 1.00 0.00 C ATOM 1494 CG GLU A 95 2.531 -6.317 3.471 1.00 0.00 C ATOM 1495 CD GLU A 95 4.043 -6.424 3.508 1.00 0.00 C ATOM 1496 OE1 GLU A 95 4.718 -5.410 3.233 1.00 0.00 O ATOM 1497 OE2 GLU A 95 4.552 -7.523 3.814 1.00 0.00 O ATOM 0 H GLU A 95 0.805 -4.483 0.237 1.00 0.00 H new ATOM 0 HA GLU A 95 1.679 -3.903 2.996 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.029 -6.276 1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.671 -6.208 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.200 -5.629 4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.096 -7.290 3.699 1.00 0.00 H new ATOM 1504 N LEU A 96 3.841 -2.898 2.376 1.00 0.00 N ATOM 1505 CA LEU A 96 5.118 -2.275 2.046 1.00 0.00 C ATOM 1506 C LEU A 96 6.257 -2.916 2.832 1.00 0.00 C ATOM 1507 O LEU A 96 6.223 -2.969 4.061 1.00 0.00 O ATOM 1508 CB LEU A 96 5.066 -0.774 2.335 1.00 0.00 C ATOM 1509 CG LEU A 96 6.377 -0.009 2.154 1.00 0.00 C ATOM 1510 CD1 LEU A 96 6.809 -0.028 0.696 1.00 0.00 C ATOM 1511 CD2 LEU A 96 6.233 1.422 2.651 1.00 0.00 C ATOM 0 H LEU A 96 3.465 -2.632 3.286 1.00 0.00 H new ATOM 0 HA LEU A 96 5.304 -2.428 0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.314 -0.325 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.726 -0.634 3.361 1.00 0.00 H new ATOM 0 HG LEU A 96 7.148 -0.502 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.744 0.521 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.954 -1.059 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.039 0.440 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.176 1.951 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.449 1.926 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.971 1.415 3.709 1.00 0.00 H new ATOM 1523 N SER A 97 7.265 -3.400 2.114 1.00 0.00 N ATOM 1524 CA SER A 97 8.414 -4.040 2.745 1.00 0.00 C ATOM 1525 C SER A 97 9.708 -3.323 2.370 1.00 0.00 C ATOM 1526 O SER A 97 9.731 -2.494 1.460 1.00 0.00 O ATOM 1527 CB SER A 97 8.495 -5.511 2.334 1.00 0.00 C ATOM 1528 OG SER A 97 7.950 -5.710 1.041 1.00 0.00 O ATOM 0 H SER A 97 7.310 -3.361 1.096 1.00 0.00 H new ATOM 0 HA SER A 97 8.285 -3.979 3.826 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.534 -5.839 2.348 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.957 -6.124 3.057 1.00 0.00 H new ATOM 0 HG SER A 97 8.015 -6.658 0.801 1.00 0.00 H new ATOM 1534 N VAL A 98 10.785 -3.650 3.078 1.00 0.00 N ATOM 1535 CA VAL A 98 12.084 -3.040 2.820 1.00 0.00 C ATOM 1536 C VAL A 98 13.213 -4.044 3.023 1.00 0.00 C ATOM 1537 O VAL A 98 13.415 -4.549 4.127 1.00 0.00 O ATOM 1538 CB VAL A 98 12.323 -1.823 3.733 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.690 -1.213 3.463 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.223 -0.790 3.542 1.00 0.00 C ATOM 0 H VAL A 98 10.783 -4.334 3.835 1.00 0.00 H new ATOM 0 HA VAL A 98 12.078 -2.710 1.781 1.00 0.00 H new ATOM 0 HB VAL A 98 12.299 -2.159 4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.841 -0.354 4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.464 -1.956 3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.746 -0.891 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.408 0.063 4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.213 -0.457 2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.259 -1.235 3.790 1.00 0.00 H new ATOM 1550 N GLN A 99 13.945 -4.328 1.951 1.00 0.00 N ATOM 1551 CA GLN A 99 15.054 -5.272 2.012 1.00 0.00 C ATOM 1552 C GLN A 99 16.366 -4.553 2.311 1.00 0.00 C ATOM 1553 O GLN A 99 16.651 -3.500 1.740 1.00 0.00 O ATOM 1554 CB GLN A 99 15.170 -6.042 0.696 1.00 0.00 C ATOM 1555 CG GLN A 99 15.728 -7.447 0.859 1.00 0.00 C ATOM 1556 CD GLN A 99 15.360 -8.359 -0.294 1.00 0.00 C ATOM 1557 OE1 GLN A 99 14.914 -7.899 -1.346 1.00 0.00 O ATOM 1558 NE2 GLN A 99 15.544 -9.660 -0.103 1.00 0.00 N ATOM 0 H GLN A 99 13.790 -3.918 1.030 1.00 0.00 H new ATOM 0 HA GLN A 99 14.854 -5.976 2.820 1.00 0.00 H new ATOM 0 HB2 GLN A 99 14.185 -6.103 0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.810 -5.483 0.013 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.813 -7.395 0.944 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.356 -7.876 1.789 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.916 -9.998 0.785 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.313 -10.322 -0.844 1.00 0.00 H new ATOM 1567 N ILE A 100 17.159 -5.128 3.209 1.00 0.00 N ATOM 1568 CA ILE A 100 18.440 -4.542 3.582 1.00 0.00 C ATOM 1569 C ILE A 100 19.517 -5.613 3.716 1.00 0.00 C ATOM 1570 O ILE A 100 19.213 -6.794 3.878 1.00 0.00 O ATOM 1571 CB ILE A 100 18.338 -3.764 4.908 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.147 -2.805 4.872 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.629 -3.005 5.177 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.417 -1.536 4.094 1.00 0.00 C ATOM 0 H ILE A 100 16.937 -5.999 3.691 1.00 0.00 H new ATOM 0 HA ILE A 100 18.715 -3.852 2.785 1.00 0.00 H new ATOM 0 HB ILE A 100 18.182 -4.476 5.719 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.292 -3.317 4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 100 16.870 -2.544 5.893 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.542 -2.460 6.117 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.458 -3.709 5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.813 -2.301 4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.530 -0.903 4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.252 -1.002 4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.664 -1.787 3.063 1.00 0.00 H new ATOM 1586 N GLU A 101 20.775 -5.191 3.647 1.00 0.00 N ATOM 1587 CA GLU A 101 21.898 -6.115 3.762 1.00 0.00 C ATOM 1588 C GLU A 101 21.547 -7.286 4.675 1.00 0.00 C ATOM 1589 O GLU A 101 21.431 -8.425 4.224 1.00 0.00 O ATOM 1590 CB GLU A 101 23.133 -5.388 4.298 1.00 0.00 C ATOM 1591 CG GLU A 101 23.767 -4.442 3.292 1.00 0.00 C ATOM 1592 CD GLU A 101 24.798 -5.127 2.416 1.00 0.00 C ATOM 1593 OE1 GLU A 101 25.941 -5.316 2.884 1.00 0.00 O ATOM 1594 OE2 GLU A 101 24.463 -5.473 1.264 1.00 0.00 O ATOM 0 H GLU A 101 21.043 -4.216 3.512 1.00 0.00 H new ATOM 0 HA GLU A 101 22.118 -6.505 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.854 -4.824 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.873 -6.126 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 101 22.988 -4.013 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.239 -3.616 3.823 1.00 0.00 H new ATOM 1601 N ASN A 102 21.380 -6.997 5.961 1.00 0.00 N ATOM 1602 CA ASN A 102 21.044 -8.026 6.939 1.00 0.00 C ATOM 1603 C ASN A 102 19.843 -7.605 7.779 1.00 0.00 C ATOM 1604 O ASN A 102 19.703 -8.019 8.930 1.00 0.00 O ATOM 1605 CB ASN A 102 22.243 -8.307 7.847 1.00 0.00 C ATOM 1606 CG ASN A 102 23.448 -8.810 7.075 1.00 0.00 C ATOM 1607 OD1 ASN A 102 24.469 -8.129 6.985 1.00 0.00 O ATOM 1608 ND2 ASN A 102 23.332 -10.007 6.512 1.00 0.00 N ATOM 0 H ASN A 102 21.472 -6.059 6.351 1.00 0.00 H new ATOM 0 HA ASN A 102 20.786 -8.936 6.398 1.00 0.00 H new ATOM 0 HB2 ASN A 102 22.512 -7.396 8.381 1.00 0.00 H new ATOM 0 HB3 ASN A 102 21.962 -9.046 8.598 1.00 0.00 H new ATOM 0 HD21 ASN A 102 24.109 -10.397 5.979 1.00 0.00 H new ATOM 0 HD22 ASN A 102 22.466 -10.536 6.613 1.00 0.00 H new ATOM 1615 N MET A 103 18.978 -6.782 7.196 1.00 0.00 N ATOM 1616 CA MET A 103 17.787 -6.307 7.891 1.00 0.00 C ATOM 1617 C MET A 103 16.596 -6.235 6.941 1.00 0.00 C ATOM 1618 O MET A 103 16.763 -6.150 5.724 1.00 0.00 O ATOM 1619 CB MET A 103 18.046 -4.932 8.509 1.00 0.00 C ATOM 1620 CG MET A 103 19.073 -4.953 9.629 1.00 0.00 C ATOM 1621 SD MET A 103 18.803 -3.647 10.844 1.00 0.00 S ATOM 1622 CE MET A 103 17.155 -4.053 11.416 1.00 0.00 C ATOM 0 H MET A 103 19.079 -6.430 6.244 1.00 0.00 H new ATOM 0 HA MET A 103 17.553 -7.016 8.685 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.385 -4.250 7.729 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.108 -4.534 8.895 1.00 0.00 H new ATOM 0 HG2 MET A 103 19.040 -5.921 10.129 1.00 0.00 H new ATOM 0 HG3 MET A 103 20.071 -4.847 9.204 1.00 0.00 H new ATOM 0 HE1 MET A 103 17.112 -3.957 12.501 1.00 0.00 H new ATOM 0 HE2 MET A 103 16.435 -3.372 10.963 1.00 0.00 H new ATOM 0 HE3 MET A 103 16.914 -5.078 11.133 1.00 0.00 H new ATOM 1632 N LYS A 104 15.393 -6.268 7.504 1.00 0.00 N ATOM 1633 CA LYS A 104 14.173 -6.205 6.708 1.00 0.00 C ATOM 1634 C LYS A 104 12.995 -5.732 7.554 1.00 0.00 C ATOM 1635 O LYS A 104 12.936 -5.995 8.756 1.00 0.00 O ATOM 1636 CB LYS A 104 13.862 -7.577 6.104 1.00 0.00 C ATOM 1637 CG LYS A 104 12.818 -7.534 5.002 1.00 0.00 C ATOM 1638 CD LYS A 104 12.091 -8.861 4.870 1.00 0.00 C ATOM 1639 CE LYS A 104 11.089 -9.062 5.996 1.00 0.00 C ATOM 1640 NZ LYS A 104 10.794 -10.503 6.226 1.00 0.00 N ATOM 0 H LYS A 104 15.237 -6.338 8.510 1.00 0.00 H new ATOM 0 HA LYS A 104 14.331 -5.487 5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.781 -8.006 5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.516 -8.243 6.895 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.098 -6.743 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.297 -7.285 4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.575 -8.900 3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.815 -9.676 4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.480 -8.621 6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.165 -8.536 5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.107 -10.597 7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.397 -10.919 5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.671 -11.001 6.479 1.00 0.00 H new ATOM 1654 N ASP A 105 12.059 -5.035 6.920 1.00 0.00 N ATOM 1655 CA ASP A 105 10.881 -4.528 7.614 1.00 0.00 C ATOM 1656 C ASP A 105 9.649 -4.602 6.718 1.00 0.00 C ATOM 1657 O ASP A 105 9.732 -4.384 5.509 1.00 0.00 O ATOM 1658 CB ASP A 105 11.112 -3.086 8.067 1.00 0.00 C ATOM 1659 CG ASP A 105 11.723 -3.005 9.452 1.00 0.00 C ATOM 1660 OD1 ASP A 105 11.477 -3.921 10.264 1.00 0.00 O ATOM 1661 OD2 ASP A 105 12.449 -2.025 9.723 1.00 0.00 O ATOM 0 H ASP A 105 12.093 -4.808 5.926 1.00 0.00 H new ATOM 0 HA ASP A 105 10.708 -5.153 8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.767 -2.585 7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.163 -2.550 8.060 1.00 0.00 H new ATOM 1666 N THR A 106 8.504 -4.911 7.319 1.00 0.00 N ATOM 1667 CA THR A 106 7.254 -5.016 6.576 1.00 0.00 C ATOM 1668 C THR A 106 6.183 -4.110 7.171 1.00 0.00 C ATOM 1669 O THR A 106 6.172 -3.854 8.375 1.00 0.00 O ATOM 1670 CB THR A 106 6.732 -6.465 6.557 1.00 0.00 C ATOM 1671 OG1 THR A 106 6.809 -7.032 7.870 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.535 -7.317 5.584 1.00 0.00 C ATOM 0 H THR A 106 8.417 -5.093 8.319 1.00 0.00 H new ATOM 0 HA THR A 106 7.466 -4.701 5.554 1.00 0.00 H new ATOM 0 HB THR A 106 5.693 -6.448 6.229 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.474 -7.953 7.849 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.148 -8.336 5.588 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.450 -6.900 4.580 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.582 -7.325 5.886 1.00 0.00 H new ATOM 1680 N ALA A 107 5.283 -3.628 6.321 1.00 0.00 N ATOM 1681 CA ALA A 107 4.205 -2.753 6.764 1.00 0.00 C ATOM 1682 C ALA A 107 2.899 -3.086 6.052 1.00 0.00 C ATOM 1683 O ALA A 107 2.902 -3.631 4.947 1.00 0.00 O ATOM 1684 CB ALA A 107 4.579 -1.296 6.530 1.00 0.00 C ATOM 0 H ALA A 107 5.279 -3.829 5.321 1.00 0.00 H new ATOM 0 HA ALA A 107 4.057 -2.913 7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.765 -0.653 6.865 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.484 -1.058 7.090 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.757 -1.132 5.467 1.00 0.00 H new ATOM 1690 N THR A 108 1.780 -2.757 6.691 1.00 0.00 N ATOM 1691 CA THR A 108 0.466 -3.023 6.119 1.00 0.00 C ATOM 1692 C THR A 108 -0.332 -1.736 5.953 1.00 0.00 C ATOM 1693 O THR A 108 -0.404 -0.916 6.870 1.00 0.00 O ATOM 1694 CB THR A 108 -0.338 -4.004 6.993 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.393 -5.223 7.162 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.692 -4.301 6.367 1.00 0.00 C ATOM 0 H THR A 108 1.758 -2.306 7.605 1.00 0.00 H new ATOM 0 HA THR A 108 0.632 -3.472 5.140 1.00 0.00 H new ATOM 0 HB THR A 108 -0.499 -3.540 7.966 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.125 -5.840 7.720 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.242 -4.996 7.002 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.258 -3.375 6.268 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.548 -4.746 5.382 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.932 -1.564 4.780 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.727 -0.376 4.496 1.00 0.00 C ATOM 1706 C ILE A 109 -3.115 -0.752 3.989 1.00 0.00 C ATOM 1707 O ILE A 109 -3.274 -1.718 3.242 1.00 0.00 O ATOM 1708 CB ILE A 109 -1.039 0.526 3.454 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.321 0.996 3.973 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.924 1.717 3.118 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.198 1.607 2.903 1.00 0.00 C ATOM 0 H ILE A 109 -0.883 -2.232 4.011 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.821 0.172 5.433 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.879 -0.052 2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.165 1.728 4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.843 0.149 4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.424 2.345 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.871 1.363 2.711 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.111 2.297 4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.146 1.917 3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.385 0.871 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.697 2.474 2.473 1.00 0.00 H new ATOM 1723 N ARG A 110 -4.118 0.018 4.399 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.493 -0.234 3.986 1.00 0.00 C ATOM 1725 C ARG A 110 -6.069 0.973 3.250 1.00 0.00 C ATOM 1726 O ARG A 110 -6.211 2.053 3.824 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.361 -0.565 5.201 1.00 0.00 C ATOM 1728 CG ARG A 110 -6.029 -1.905 5.839 1.00 0.00 C ATOM 1729 CD ARG A 110 -6.841 -3.032 5.219 1.00 0.00 C ATOM 1730 NE ARG A 110 -8.226 -3.027 5.681 1.00 0.00 N ATOM 1731 CZ ARG A 110 -9.099 -3.988 5.399 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -8.730 -5.026 4.661 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -10.342 -3.912 5.855 1.00 0.00 N ATOM 0 H ARG A 110 -4.004 0.821 5.017 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.491 -1.086 3.307 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.244 0.222 5.946 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.409 -0.565 4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.966 -2.113 5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -6.227 -1.859 6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.821 -2.938 4.133 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -6.380 -3.989 5.465 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.541 -2.242 6.252 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.775 -5.088 4.309 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.401 -5.763 4.445 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.629 -3.115 6.423 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.011 -4.651 5.638 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.399 0.781 1.977 1.00 0.00 N ATOM 1748 CA ILE A 111 -6.960 1.853 1.164 1.00 0.00 C ATOM 1749 C ILE A 111 -8.473 1.712 1.037 1.00 0.00 C ATOM 1750 O ILE A 111 -9.006 0.602 1.039 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.338 1.875 -0.245 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.858 2.256 -0.166 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -7.093 2.844 -1.142 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -4.077 1.909 -1.415 1.00 0.00 C ATOM 0 H ILE A 111 -6.288 -0.106 1.487 1.00 0.00 H new ATOM 0 HA ILE A 111 -6.726 2.789 1.671 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.415 0.877 -0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.776 3.327 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.406 1.751 0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.642 2.848 -2.134 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.135 2.533 -1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.044 3.847 -0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.036 2.207 -1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.128 0.834 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.504 2.435 -2.269 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.159 2.844 0.925 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.612 2.848 0.796 1.00 0.00 C ATOM 1768 C ARG A 112 -11.051 3.713 -0.382 1.00 0.00 C ATOM 1769 O ARG A 112 -10.439 4.740 -0.673 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.258 3.357 2.086 1.00 0.00 C ATOM 1771 CG ARG A 112 -12.747 3.633 1.953 1.00 0.00 C ATOM 1772 CD ARG A 112 -13.572 2.386 2.231 1.00 0.00 C ATOM 1773 NE ARG A 112 -14.973 2.703 2.494 1.00 0.00 N ATOM 1774 CZ ARG A 112 -15.949 1.803 2.460 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -15.678 0.537 2.176 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -17.199 2.169 2.711 1.00 0.00 N ATOM 0 H ARG A 112 -8.733 3.771 0.921 1.00 0.00 H new ATOM 0 HA ARG A 112 -10.939 1.824 0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.102 2.621 2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.754 4.271 2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.035 4.423 2.646 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -12.962 3.997 0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.507 1.711 1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.153 1.858 3.088 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.215 3.669 2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.718 0.252 1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.430 -0.152 2.151 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.411 3.142 2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -17.948 1.477 2.685 1.00 0.00 H new ATOM 1790 N VAL A 113 -12.116 3.289 -1.056 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.637 4.025 -2.201 1.00 0.00 C ATOM 1792 C VAL A 113 -14.155 4.147 -2.131 1.00 0.00 C ATOM 1793 O VAL A 113 -14.870 3.144 -2.117 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.249 3.346 -3.528 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -12.799 4.130 -4.710 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.738 3.202 -3.630 1.00 0.00 C ATOM 0 H VAL A 113 -12.634 2.440 -0.829 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.193 5.020 -2.167 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.689 2.349 -3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.515 3.635 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.886 4.177 -4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.391 5.141 -4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.481 2.720 -4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.275 4.188 -3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.374 2.594 -2.802 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.643 5.383 -2.087 1.00 0.00 N ATOM 1807 CA VAL A 114 -16.077 5.637 -2.020 1.00 0.00 C ATOM 1808 C VAL A 114 -16.562 6.384 -3.257 1.00 0.00 C ATOM 1809 O VAL A 114 -15.871 7.261 -3.775 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.444 6.452 -0.766 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -16.047 5.700 0.495 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.785 7.822 -0.809 1.00 0.00 C ATOM 0 H VAL A 114 -14.066 6.224 -2.097 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.568 4.665 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.525 6.594 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.314 6.292 1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.571 4.745 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.971 5.524 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -16.055 8.384 0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.702 7.704 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -16.124 8.361 -1.693 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.754 6.029 -3.727 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.330 6.666 -4.905 1.00 0.00 C ATOM 1824 C GLU A 115 -18.636 8.136 -4.634 1.00 0.00 C ATOM 1825 O GLU A 115 -19.192 8.485 -3.592 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.607 5.939 -5.332 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.371 4.504 -5.774 1.00 0.00 C ATOM 1828 CD GLU A 115 -20.664 3.749 -6.019 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -21.464 4.200 -6.865 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -20.874 2.707 -5.363 1.00 0.00 O ATOM 0 H GLU A 115 -18.339 5.305 -3.310 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.599 6.607 -5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.313 5.943 -4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.073 6.490 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.775 4.502 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.790 3.984 -5.013 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.268 8.995 -5.579 1.00 0.00 N ATOM 1838 CA LYS A 116 -18.502 10.428 -5.444 1.00 0.00 C ATOM 1839 C LYS A 116 -19.994 10.742 -5.490 1.00 0.00 C ATOM 1840 O LYS A 116 -20.506 11.491 -4.659 1.00 0.00 O ATOM 1841 CB LYS A 116 -17.776 11.191 -6.554 1.00 0.00 C ATOM 1842 CG LYS A 116 -18.199 10.778 -7.953 1.00 0.00 C ATOM 1843 CD LYS A 116 -17.364 11.472 -9.016 1.00 0.00 C ATOM 1844 CE LYS A 116 -17.976 12.802 -9.426 1.00 0.00 C ATOM 1845 NZ LYS A 116 -19.095 12.624 -10.392 1.00 0.00 N ATOM 0 H LYS A 116 -17.806 8.723 -6.447 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.111 10.745 -4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -17.958 12.258 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -16.702 11.036 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -18.101 9.698 -8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -19.252 11.018 -8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -16.355 11.636 -8.638 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -17.276 10.826 -9.890 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -18.340 13.322 -8.540 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -17.208 13.433 -9.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -19.485 13.554 -10.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -18.743 12.150 -11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -19.840 12.043 -9.957 1.00 0.00 H new