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 USER MOD Set 1.2: A 79 THR OG1 : rot 100:sc= 0.959 USER MOD Set 2.1: A 60 LYS NZ :NH3+ -176:sc= -0.333 (180deg=-0.401) USER MOD Set 2.2: A 94 TYR OH : rot -1:sc= 0.239 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -3.82! C(o=-3.8!,f=-5.2!) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0232 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= -0.685 K(o=-0.69,f=-2!) USER MOD Single : A 43 ASN : amide:sc= -1.22 K(o=-1.2,f=-7.8!) USER MOD Single : A 49 GLN : amide:sc=-0.00721 K(o=-0.0072,f=-1.4) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.0089) USER MOD Single : A 59 THR OG1 : rot -155:sc= -0.0265 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 75 SER OG : rot -133:sc= 0.176 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 56:sc= 0.582 USER MOD Single : A 97 SER OG : rot -80:sc= 0.792 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 MET CE :methyl -167:sc= -0.122 (180deg=-0.428) 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+ -165:sc=-0.00585 (180deg=-0.129) USER MOD ----------------------------------------------------------------- ATOM 228 N ILE A 18 25.852 -2.861 8.304 1.00 0.00 N ATOM 229 CA ILE A 18 24.960 -2.001 7.537 1.00 0.00 C ATOM 230 C ILE A 18 25.090 -0.545 7.973 1.00 0.00 C ATOM 231 O ILE A 18 25.088 -0.242 9.166 1.00 0.00 O ATOM 232 CB ILE A 18 23.491 -2.439 7.684 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.325 -3.897 7.248 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.582 -1.531 6.869 1.00 0.00 C ATOM 235 CD1 ILE A 18 21.999 -4.502 7.654 1.00 0.00 C ATOM 0 HA ILE A 18 25.255 -2.093 6.492 1.00 0.00 H new ATOM 0 HB ILE A 18 23.207 -2.357 8.733 1.00 0.00 H new ATOM 0 HG12 ILE A 18 23.426 -3.957 6.164 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.132 -4.490 7.677 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.547 -1.854 6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.683 -0.504 7.221 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.864 -1.583 5.817 1.00 0.00 H new ATOM 0 HD11 ILE A 18 21.951 -5.536 7.312 1.00 0.00 H new ATOM 0 HD12 ILE A 18 21.903 -4.474 8.739 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.186 -3.933 7.203 1.00 0.00 H new ATOM 247 N ALA A 19 25.200 0.351 6.999 1.00 0.00 N ATOM 248 CA ALA A 19 25.327 1.776 7.281 1.00 0.00 C ATOM 249 C ALA A 19 24.152 2.277 8.115 1.00 0.00 C ATOM 250 O ALA A 19 24.341 2.917 9.148 1.00 0.00 O ATOM 251 CB ALA A 19 25.431 2.564 5.984 1.00 0.00 C ATOM 0 H ALA A 19 25.204 0.116 6.006 1.00 0.00 H new ATOM 0 HA ALA A 19 26.239 1.927 7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.525 3.626 6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.307 2.233 5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.535 2.399 5.385 1.00 0.00 H new ATOM 257 N GLU A 20 22.939 1.981 7.657 1.00 0.00 N ATOM 258 CA GLU A 20 21.734 2.403 8.361 1.00 0.00 C ATOM 259 C GLU A 20 20.649 1.334 8.272 1.00 0.00 C ATOM 260 O GLU A 20 20.344 0.812 7.200 1.00 0.00 O ATOM 261 CB GLU A 20 21.216 3.722 7.784 1.00 0.00 C ATOM 262 CG GLU A 20 20.261 4.458 8.709 1.00 0.00 C ATOM 263 CD GLU A 20 20.982 5.252 9.780 1.00 0.00 C ATOM 264 OE1 GLU A 20 21.737 6.181 9.422 1.00 0.00 O ATOM 265 OE2 GLU A 20 20.794 4.945 10.975 1.00 0.00 O ATOM 0 H GLU A 20 22.765 1.451 6.803 1.00 0.00 H new ATOM 0 HA GLU A 20 21.989 2.549 9.411 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.064 4.369 7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.711 3.522 6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.638 5.131 8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.593 3.738 9.183 1.00 0.00 H new ATOM 272 N PRO A 21 20.052 1.000 9.425 1.00 0.00 N ATOM 273 CA PRO A 21 18.991 -0.009 9.505 1.00 0.00 C ATOM 274 C PRO A 21 17.694 0.461 8.856 1.00 0.00 C ATOM 275 O PRO A 21 17.392 1.654 8.809 1.00 0.00 O ATOM 276 CB PRO A 21 18.797 -0.201 11.011 1.00 0.00 C ATOM 277 CG PRO A 21 19.252 1.080 11.618 1.00 0.00 C ATOM 278 CD PRO A 21 20.365 1.582 10.741 1.00 0.00 C ATOM 0 HA PRO A 21 19.258 -0.924 8.976 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.754 -0.405 11.253 1.00 0.00 H new ATOM 0 HB3 PRO A 21 19.381 -1.044 11.381 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.436 1.801 11.664 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.599 0.926 12.640 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.387 2.671 10.704 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.340 1.256 11.103 1.00 0.00 H new ATOM 286 N PRO A 22 16.907 -0.496 8.343 1.00 0.00 N ATOM 287 CA PRO A 22 15.628 -0.204 7.688 1.00 0.00 C ATOM 288 C PRO A 22 14.569 0.276 8.674 1.00 0.00 C ATOM 289 O PRO A 22 14.485 -0.215 9.800 1.00 0.00 O ATOM 290 CB PRO A 22 15.224 -1.550 7.082 1.00 0.00 C ATOM 291 CG PRO A 22 15.910 -2.567 7.927 1.00 0.00 C ATOM 292 CD PRO A 22 17.204 -1.938 8.364 1.00 0.00 C ATOM 0 HA PRO A 22 15.719 0.598 6.956 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.142 -1.684 7.101 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.536 -1.625 6.040 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.297 -2.837 8.787 1.00 0.00 H new ATOM 0 HG3 PRO A 22 16.092 -3.483 7.365 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.498 -2.273 9.359 1.00 0.00 H new ATOM 0 HD3 PRO A 22 18.021 -2.190 7.688 1.00 0.00 H new ATOM 300 N LYS A 23 13.760 1.239 8.245 1.00 0.00 N ATOM 301 CA LYS A 23 12.704 1.785 9.088 1.00 0.00 C ATOM 302 C LYS A 23 11.606 2.422 8.242 1.00 0.00 C ATOM 303 O LYS A 23 11.861 3.353 7.477 1.00 0.00 O ATOM 304 CB LYS A 23 13.280 2.819 10.058 1.00 0.00 C ATOM 305 CG LYS A 23 12.308 3.242 11.145 1.00 0.00 C ATOM 306 CD LYS A 23 12.403 2.336 12.361 1.00 0.00 C ATOM 307 CE LYS A 23 13.521 2.773 13.296 1.00 0.00 C ATOM 308 NZ LYS A 23 13.661 1.855 14.460 1.00 0.00 N ATOM 0 H LYS A 23 13.816 1.658 7.317 1.00 0.00 H new ATOM 0 HA LYS A 23 12.269 0.964 9.658 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.176 2.408 10.523 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.588 3.700 9.495 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.515 4.271 11.440 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.291 3.221 10.753 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.454 2.345 12.898 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.577 1.309 12.039 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.461 2.808 12.746 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.322 3.784 13.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.433 2.187 15.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.772 1.841 15.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.876 0.895 14.121 1.00 0.00 H new ATOM 322 N ILE A 24 10.386 1.916 8.385 1.00 0.00 N ATOM 323 CA ILE A 24 9.250 2.438 7.636 1.00 0.00 C ATOM 324 C ILE A 24 8.409 3.377 8.495 1.00 0.00 C ATOM 325 O ILE A 24 7.594 2.932 9.303 1.00 0.00 O ATOM 326 CB ILE A 24 8.354 1.302 7.108 1.00 0.00 C ATOM 327 CG1 ILE A 24 9.142 0.401 6.156 1.00 0.00 C ATOM 328 CG2 ILE A 24 7.128 1.874 6.412 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.497 -0.948 5.926 1.00 0.00 C ATOM 0 H ILE A 24 10.159 1.145 9.013 1.00 0.00 H new ATOM 0 HA ILE A 24 9.657 2.991 6.790 1.00 0.00 H new ATOM 0 HB ILE A 24 8.020 0.700 7.953 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.254 0.909 5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.144 0.251 6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.505 1.059 6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.557 2.477 7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.442 2.496 5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.111 -1.533 5.241 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.409 -1.476 6.876 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.505 -0.809 5.496 1.00 0.00 H new ATOM 341 N ARG A 25 8.612 4.677 8.312 1.00 0.00 N ATOM 342 CA ARG A 25 7.873 5.680 9.070 1.00 0.00 C ATOM 343 C ARG A 25 6.500 5.926 8.450 1.00 0.00 C ATOM 344 O ARG A 25 6.384 6.567 7.405 1.00 0.00 O ATOM 345 CB ARG A 25 8.660 6.990 9.128 1.00 0.00 C ATOM 346 CG ARG A 25 10.128 6.803 9.474 1.00 0.00 C ATOM 347 CD ARG A 25 10.333 6.658 10.973 1.00 0.00 C ATOM 348 NE ARG A 25 10.218 7.937 11.668 1.00 0.00 N ATOM 349 CZ ARG A 25 11.200 8.830 11.731 1.00 0.00 C ATOM 350 NH1 ARG A 25 12.363 8.584 11.144 1.00 0.00 N ATOM 351 NH2 ARG A 25 11.019 9.971 12.383 1.00 0.00 N ATOM 0 H ARG A 25 9.282 5.061 7.646 1.00 0.00 H new ATOM 0 HA ARG A 25 7.734 5.303 10.083 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.584 7.493 8.164 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.202 7.647 9.867 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.513 5.919 8.966 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.701 7.655 9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.597 5.961 11.374 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.316 6.229 11.164 1.00 0.00 H new ATOM 0 HE ARG A 25 9.336 8.157 12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.506 7.707 10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.115 9.271 11.194 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.126 10.163 12.836 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.773 10.656 12.431 1.00 0.00 H new ATOM 365 N LEU A 26 5.462 5.411 9.101 1.00 0.00 N ATOM 366 CA LEU A 26 4.097 5.574 8.614 1.00 0.00 C ATOM 367 C LEU A 26 3.495 6.885 9.110 1.00 0.00 C ATOM 368 O LEU A 26 3.714 7.307 10.246 1.00 0.00 O ATOM 369 CB LEU A 26 3.229 4.398 9.066 1.00 0.00 C ATOM 370 CG LEU A 26 3.245 3.166 8.161 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.681 1.958 8.893 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.462 3.432 6.884 1.00 0.00 C ATOM 0 H LEU A 26 5.540 4.877 9.967 1.00 0.00 H new ATOM 0 HA LEU A 26 4.127 5.598 7.525 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.551 4.096 10.063 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.200 4.745 9.155 1.00 0.00 H new ATOM 0 HG LEU A 26 4.279 2.951 7.891 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.700 1.091 8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.284 1.754 9.778 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.653 2.162 9.194 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.484 2.544 6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.429 3.674 7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.911 4.269 6.350 1.00 0.00 H new ATOM 384 N PRO A 27 2.715 7.545 8.241 1.00 0.00 N ATOM 385 CA PRO A 27 2.062 8.816 8.570 1.00 0.00 C ATOM 386 C PRO A 27 0.945 8.646 9.594 1.00 0.00 C ATOM 387 O PRO A 27 0.846 7.611 10.252 1.00 0.00 O ATOM 388 CB PRO A 27 1.491 9.279 7.227 1.00 0.00 C ATOM 389 CG PRO A 27 1.304 8.026 6.443 1.00 0.00 C ATOM 390 CD PRO A 27 2.410 7.101 6.871 1.00 0.00 C ATOM 0 HA PRO A 27 2.755 9.526 9.022 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.547 9.808 7.359 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.172 9.964 6.722 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.327 7.584 6.640 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.354 8.224 5.372 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.093 6.058 6.848 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.279 7.185 6.219 1.00 0.00 H new ATOM 398 N ARG A 28 0.107 9.669 9.723 1.00 0.00 N ATOM 399 CA ARG A 28 -1.003 9.633 10.668 1.00 0.00 C ATOM 400 C ARG A 28 -2.341 9.677 9.936 1.00 0.00 C ATOM 401 O ARG A 28 -3.401 9.714 10.562 1.00 0.00 O ATOM 402 CB ARG A 28 -0.906 10.805 11.646 1.00 0.00 C ATOM 403 CG ARG A 28 -1.669 12.040 11.196 1.00 0.00 C ATOM 404 CD ARG A 28 -1.562 13.164 12.215 1.00 0.00 C ATOM 405 NE ARG A 28 -0.412 14.026 11.959 1.00 0.00 N ATOM 406 CZ ARG A 28 -0.294 14.794 10.881 1.00 0.00 C ATOM 407 NH1 ARG A 28 -1.252 14.806 9.964 1.00 0.00 N ATOM 408 NH2 ARG A 28 0.783 15.552 10.719 1.00 0.00 N ATOM 0 H ARG A 28 0.175 10.533 9.185 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.943 8.698 11.225 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.285 10.488 12.618 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.143 11.067 11.783 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.280 12.380 10.236 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.718 11.785 11.043 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.474 13.760 12.194 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.482 12.740 13.216 1.00 0.00 H new ATOM 0 HE ARG A 28 0.342 14.040 12.645 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.081 14.225 10.085 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.159 15.396 9.137 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.522 15.546 11.422 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.872 16.141 9.891 1.00 0.00 H new ATOM 422 N HIS A 29 -2.284 9.674 8.608 1.00 0.00 N ATOM 423 CA HIS A 29 -3.492 9.713 7.791 1.00 0.00 C ATOM 424 C HIS A 29 -3.767 8.350 7.162 1.00 0.00 C ATOM 425 O HIS A 29 -4.885 8.070 6.727 1.00 0.00 O ATOM 426 CB HIS A 29 -3.360 10.774 6.699 1.00 0.00 C ATOM 427 CG HIS A 29 -1.994 10.838 6.088 1.00 0.00 C ATOM 428 ND1 HIS A 29 -1.653 10.164 4.934 1.00 0.00 N ATOM 429 CD2 HIS A 29 -0.881 11.504 6.476 1.00 0.00 C ATOM 430 CE1 HIS A 29 -0.389 10.410 4.640 1.00 0.00 C ATOM 431 NE2 HIS A 29 0.102 11.221 5.560 1.00 0.00 N ATOM 0 H HIS A 29 -1.415 9.645 8.075 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.330 9.971 8.438 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.090 10.570 5.916 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.607 11.749 7.119 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.784 12.139 7.344 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.151 10.015 3.792 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.057 11.579 5.586 1.00 0.00 H new ATOM 440 N LEU A 30 -2.741 7.507 7.117 1.00 0.00 N ATOM 441 CA LEU A 30 -2.872 6.174 6.540 1.00 0.00 C ATOM 442 C LEU A 30 -3.292 5.161 7.600 1.00 0.00 C ATOM 443 O LEU A 30 -4.032 4.219 7.315 1.00 0.00 O ATOM 444 CB LEU A 30 -1.551 5.741 5.901 1.00 0.00 C ATOM 445 CG LEU A 30 -1.121 6.519 4.657 1.00 0.00 C ATOM 446 CD1 LEU A 30 0.303 6.156 4.266 1.00 0.00 C ATOM 447 CD2 LEU A 30 -2.077 6.252 3.504 1.00 0.00 C ATOM 0 H LEU A 30 -1.810 7.723 7.473 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.645 6.212 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.763 5.827 6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.626 4.686 5.637 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.152 7.584 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.592 6.719 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.979 6.399 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.361 5.089 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.755 6.814 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.079 5.187 3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.083 6.564 3.786 1.00 0.00 H new ATOM 459 N ARG A 31 -2.817 5.362 8.825 1.00 0.00 N ATOM 460 CA ARG A 31 -3.145 4.467 9.928 1.00 0.00 C ATOM 461 C ARG A 31 -4.639 4.158 9.952 1.00 0.00 C ATOM 462 O ARG A 31 -5.042 3.016 10.170 1.00 0.00 O ATOM 463 CB ARG A 31 -2.721 5.088 11.260 1.00 0.00 C ATOM 464 CG ARG A 31 -1.220 5.290 11.388 1.00 0.00 C ATOM 465 CD ARG A 31 -0.799 5.442 12.841 1.00 0.00 C ATOM 466 NE ARG A 31 -0.557 4.151 13.479 1.00 0.00 N ATOM 467 CZ ARG A 31 -0.478 3.985 14.795 1.00 0.00 C ATOM 468 NH1 ARG A 31 -0.621 5.023 15.607 1.00 0.00 N ATOM 469 NH2 ARG A 31 -0.255 2.778 15.300 1.00 0.00 N ATOM 0 H ARG A 31 -2.204 6.137 9.078 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.601 3.534 9.780 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.220 6.050 11.378 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.064 4.450 12.074 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.699 4.442 10.944 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.922 6.176 10.827 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.105 6.048 12.895 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.574 5.977 13.389 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.442 3.332 12.882 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.792 5.952 15.222 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.560 4.893 16.617 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.144 1.977 14.678 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.194 2.651 16.310 1.00 0.00 H new ATOM 483 N GLN A 32 -5.454 5.183 9.727 1.00 0.00 N ATOM 484 CA GLN A 32 -6.903 5.020 9.724 1.00 0.00 C ATOM 485 C GLN A 32 -7.416 4.735 8.317 1.00 0.00 C ATOM 486 O GLN A 32 -6.909 5.282 7.336 1.00 0.00 O ATOM 487 CB GLN A 32 -7.579 6.274 10.282 1.00 0.00 C ATOM 488 CG GLN A 32 -7.413 7.500 9.398 1.00 0.00 C ATOM 489 CD GLN A 32 -8.130 8.717 9.947 1.00 0.00 C ATOM 490 OE1 GLN A 32 -8.488 8.763 11.125 1.00 0.00 O ATOM 491 NE2 GLN A 32 -8.345 9.712 9.095 1.00 0.00 N ATOM 0 H GLN A 32 -5.136 6.135 9.544 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.149 4.169 10.360 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.642 6.074 10.416 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.168 6.489 11.268 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.352 7.726 9.292 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.793 7.278 8.401 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.031 9.632 8.128 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.824 10.557 9.408 1.00 0.00 H new ATOM 500 N THR A 33 -8.425 3.874 8.223 1.00 0.00 N ATOM 501 CA THR A 33 -9.005 3.515 6.935 1.00 0.00 C ATOM 502 C THR A 33 -8.998 4.702 5.978 1.00 0.00 C ATOM 503 O THR A 33 -9.767 5.649 6.143 1.00 0.00 O ATOM 504 CB THR A 33 -10.451 3.006 7.093 1.00 0.00 C ATOM 505 OG1 THR A 33 -10.539 2.123 8.217 1.00 0.00 O ATOM 506 CG2 THR A 33 -10.910 2.283 5.836 1.00 0.00 C ATOM 0 H THR A 33 -8.857 3.413 9.024 1.00 0.00 H new ATOM 0 HA THR A 33 -8.389 2.716 6.523 1.00 0.00 H new ATOM 0 HB THR A 33 -11.100 3.866 7.256 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.461 1.805 8.312 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.933 1.933 5.971 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.869 2.966 4.988 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.257 1.431 5.647 1.00 0.00 H new ATOM 514 N TYR A 34 -8.126 4.644 4.978 1.00 0.00 N ATOM 515 CA TYR A 34 -8.018 5.715 3.995 1.00 0.00 C ATOM 516 C TYR A 34 -9.251 5.757 3.098 1.00 0.00 C ATOM 517 O TYR A 34 -9.505 4.829 2.329 1.00 0.00 O ATOM 518 CB TYR A 34 -6.760 5.530 3.145 1.00 0.00 C ATOM 519 CG TYR A 34 -6.317 6.791 2.437 1.00 0.00 C ATOM 520 CD1 TYR A 34 -6.196 7.992 3.125 1.00 0.00 C ATOM 521 CD2 TYR A 34 -6.021 6.781 1.079 1.00 0.00 C ATOM 522 CE1 TYR A 34 -5.793 9.146 2.483 1.00 0.00 C ATOM 523 CE2 TYR A 34 -5.615 7.931 0.429 1.00 0.00 C ATOM 524 CZ TYR A 34 -5.503 9.110 1.135 1.00 0.00 C ATOM 525 OH TYR A 34 -5.101 10.258 0.490 1.00 0.00 O ATOM 0 H TYR A 34 -7.483 3.866 4.827 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.950 6.661 4.532 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.949 5.177 3.783 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.944 4.752 2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.421 8.023 4.181 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.110 5.860 0.523 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.705 10.071 3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.387 7.906 -0.626 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.935 10.061 -0.456 1.00 0.00 H new ATOM 535 N ILE A 35 -10.012 6.841 3.201 1.00 0.00 N ATOM 536 CA ILE A 35 -11.217 7.006 2.398 1.00 0.00 C ATOM 537 C ILE A 35 -10.963 7.924 1.207 1.00 0.00 C ATOM 538 O ILE A 35 -10.466 9.040 1.365 1.00 0.00 O ATOM 539 CB ILE A 35 -12.377 7.579 3.234 1.00 0.00 C ATOM 540 CG1 ILE A 35 -12.486 6.839 4.569 1.00 0.00 C ATOM 541 CG2 ILE A 35 -13.684 7.484 2.461 1.00 0.00 C ATOM 542 CD1 ILE A 35 -13.317 5.577 4.494 1.00 0.00 C ATOM 0 H ILE A 35 -9.816 7.618 3.832 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.494 6.015 2.038 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.174 8.630 3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.485 6.585 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.922 7.508 5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.494 7.893 3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.600 8.051 1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.895 6.440 2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.351 5.105 5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.329 5.826 4.176 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.870 4.889 3.776 1.00 0.00 H new ATOM 554 N ARG A 36 -11.308 7.448 0.015 1.00 0.00 N ATOM 555 CA ARG A 36 -11.118 8.226 -1.203 1.00 0.00 C ATOM 556 C ARG A 36 -12.172 7.868 -2.247 1.00 0.00 C ATOM 557 O ARG A 36 -12.558 6.706 -2.383 1.00 0.00 O ATOM 558 CB ARG A 36 -9.718 7.987 -1.773 1.00 0.00 C ATOM 559 CG ARG A 36 -8.672 8.954 -1.244 1.00 0.00 C ATOM 560 CD ARG A 36 -8.585 10.205 -2.104 1.00 0.00 C ATOM 561 NE ARG A 36 -9.540 11.226 -1.683 1.00 0.00 N ATOM 562 CZ ARG A 36 -9.876 12.271 -2.431 1.00 0.00 C ATOM 563 NH1 ARG A 36 -9.335 12.432 -3.632 1.00 0.00 N ATOM 564 NH2 ARG A 36 -10.753 13.158 -1.980 1.00 0.00 N ATOM 0 H ARG A 36 -11.721 6.527 -0.133 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.225 9.281 -0.951 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.409 6.968 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.759 8.067 -2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.917 9.232 -0.219 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.700 8.461 -1.217 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.575 10.611 -2.053 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.771 9.943 -3.146 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.973 11.132 -0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.660 11.753 -3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.594 13.235 -4.205 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.171 13.038 -1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.010 13.960 -2.556 1.00 0.00 H new ATOM 578 N LYS A 37 -12.633 8.873 -2.983 1.00 0.00 N ATOM 579 CA LYS A 37 -13.642 8.666 -4.016 1.00 0.00 C ATOM 580 C LYS A 37 -13.029 8.016 -5.252 1.00 0.00 C ATOM 581 O LYS A 37 -11.818 8.082 -5.464 1.00 0.00 O ATOM 582 CB LYS A 37 -14.293 9.997 -4.396 1.00 0.00 C ATOM 583 CG LYS A 37 -15.373 10.445 -3.426 1.00 0.00 C ATOM 584 CD LYS A 37 -16.272 11.503 -4.043 1.00 0.00 C ATOM 585 CE LYS A 37 -15.573 12.852 -4.121 1.00 0.00 C ATOM 586 NZ LYS A 37 -15.746 13.639 -2.868 1.00 0.00 N ATOM 0 H LYS A 37 -12.324 9.840 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.404 7.998 -3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.523 10.766 -4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.725 9.909 -5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.973 9.586 -3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.910 10.841 -2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.572 11.189 -5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.183 11.598 -3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.510 12.700 -4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.970 13.419 -4.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.255 14.551 -2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.759 13.806 -2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.345 13.110 -2.068 1.00 0.00 H new ATOM 600 N VAL A 38 -13.873 7.391 -6.066 1.00 0.00 N ATOM 601 CA VAL A 38 -13.414 6.732 -7.283 1.00 0.00 C ATOM 602 C VAL A 38 -13.059 7.751 -8.360 1.00 0.00 C ATOM 603 O VAL A 38 -13.519 8.891 -8.326 1.00 0.00 O ATOM 604 CB VAL A 38 -14.482 5.769 -7.836 1.00 0.00 C ATOM 605 CG1 VAL A 38 -14.965 4.824 -6.747 1.00 0.00 C ATOM 606 CG2 VAL A 38 -15.645 6.548 -8.432 1.00 0.00 C ATOM 0 H VAL A 38 -14.878 7.327 -5.905 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.523 6.163 -7.018 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.031 5.171 -8.628 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.719 4.152 -7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.124 4.241 -6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.399 5.401 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.390 5.852 -8.818 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.097 7.173 -7.662 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.283 7.178 -9.244 1.00 0.00 H new ATOM 616 N GLY A 39 -12.236 7.331 -9.316 1.00 0.00 N ATOM 617 CA GLY A 39 -11.832 8.220 -10.390 1.00 0.00 C ATOM 618 C GLY A 39 -10.700 9.143 -9.985 1.00 0.00 C ATOM 619 O GLY A 39 -9.819 9.444 -10.789 1.00 0.00 O ATOM 0 H GLY A 39 -11.842 6.392 -9.366 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.523 7.627 -11.251 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.688 8.817 -10.705 1.00 0.00 H new ATOM 623 N GLU A 40 -10.726 9.594 -8.735 1.00 0.00 N ATOM 624 CA GLU A 40 -9.695 10.491 -8.226 1.00 0.00 C ATOM 625 C GLU A 40 -8.359 9.765 -8.094 1.00 0.00 C ATOM 626 O GLU A 40 -8.317 8.543 -7.953 1.00 0.00 O ATOM 627 CB GLU A 40 -10.111 11.066 -6.870 1.00 0.00 C ATOM 628 CG GLU A 40 -10.914 12.351 -6.975 1.00 0.00 C ATOM 629 CD GLU A 40 -10.091 13.513 -7.497 1.00 0.00 C ATOM 630 OE1 GLU A 40 -9.266 14.049 -6.728 1.00 0.00 O ATOM 631 OE2 GLU A 40 -10.272 13.885 -8.675 1.00 0.00 O ATOM 0 H GLU A 40 -11.449 9.353 -8.057 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.577 11.308 -8.938 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.700 10.322 -6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.217 11.253 -6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.766 12.189 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.314 12.606 -5.994 1.00 0.00 H new ATOM 638 N GLN A 41 -7.271 10.527 -8.142 1.00 0.00 N ATOM 639 CA GLN A 41 -5.934 9.956 -8.030 1.00 0.00 C ATOM 640 C GLN A 41 -5.610 9.611 -6.580 1.00 0.00 C ATOM 641 O GLN A 41 -6.163 10.201 -5.651 1.00 0.00 O ATOM 642 CB GLN A 41 -4.892 10.932 -8.579 1.00 0.00 C ATOM 643 CG GLN A 41 -5.062 11.233 -10.060 1.00 0.00 C ATOM 644 CD GLN A 41 -6.087 12.318 -10.321 1.00 0.00 C ATOM 645 OE1 GLN A 41 -6.234 13.252 -9.531 1.00 0.00 O ATOM 646 NE2 GLN A 41 -6.803 12.202 -11.433 1.00 0.00 N ATOM 0 H GLN A 41 -7.289 11.540 -8.258 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.907 9.039 -8.618 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.949 11.865 -8.018 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.897 10.520 -8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.102 11.537 -10.477 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.362 10.323 -10.580 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.648 11.412 -12.059 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.508 12.903 -11.661 1.00 0.00 H new ATOM 655 N LEU A 42 -4.711 8.651 -6.393 1.00 0.00 N ATOM 656 CA LEU A 42 -4.312 8.226 -5.055 1.00 0.00 C ATOM 657 C LEU A 42 -2.865 8.613 -4.769 1.00 0.00 C ATOM 658 O LEU A 42 -1.954 8.232 -5.503 1.00 0.00 O ATOM 659 CB LEU A 42 -4.487 6.714 -4.906 1.00 0.00 C ATOM 660 CG LEU A 42 -5.885 6.235 -4.514 1.00 0.00 C ATOM 661 CD1 LEU A 42 -6.081 4.779 -4.909 1.00 0.00 C ATOM 662 CD2 LEU A 42 -6.113 6.419 -3.021 1.00 0.00 C ATOM 0 H LEU A 42 -4.244 8.152 -7.150 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.953 8.733 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.215 6.242 -5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.780 6.359 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.618 6.838 -5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.082 4.456 -4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.961 4.675 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.341 4.161 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.113 6.073 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.373 5.842 -2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.016 7.474 -2.765 1.00 0.00 H new ATOM 674 N ASN A 43 -2.661 9.372 -3.697 1.00 0.00 N ATOM 675 CA ASN A 43 -1.324 9.809 -3.313 1.00 0.00 C ATOM 676 C ASN A 43 -0.943 9.256 -1.943 1.00 0.00 C ATOM 677 O ASN A 43 -1.604 9.536 -0.942 1.00 0.00 O ATOM 678 CB ASN A 43 -1.250 11.337 -3.297 1.00 0.00 C ATOM 679 CG ASN A 43 0.014 11.848 -2.631 1.00 0.00 C ATOM 680 OD1 ASN A 43 0.984 11.108 -2.466 1.00 0.00 O ATOM 681 ND2 ASN A 43 0.006 13.118 -2.244 1.00 0.00 N ATOM 0 H ASN A 43 -3.405 9.697 -3.079 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.618 9.425 -4.049 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.295 11.711 -4.320 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.119 11.735 -2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.827 13.518 -1.789 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.821 13.694 -2.402 1.00 0.00 H new ATOM 688 N LEU A 44 0.127 8.469 -1.906 1.00 0.00 N ATOM 689 CA LEU A 44 0.597 7.876 -0.659 1.00 0.00 C ATOM 690 C LEU A 44 2.107 8.036 -0.516 1.00 0.00 C ATOM 691 O LEU A 44 2.881 7.292 -1.118 1.00 0.00 O ATOM 692 CB LEU A 44 0.222 6.394 -0.603 1.00 0.00 C ATOM 693 CG LEU A 44 -1.243 6.061 -0.886 1.00 0.00 C ATOM 694 CD1 LEU A 44 -1.425 4.561 -1.062 1.00 0.00 C ATOM 695 CD2 LEU A 44 -2.133 6.580 0.234 1.00 0.00 C ATOM 0 H LEU A 44 0.685 8.227 -2.725 1.00 0.00 H new ATOM 0 HA LEU A 44 0.115 8.398 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.841 5.856 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.476 6.013 0.386 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.535 6.553 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.474 4.343 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.816 4.216 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.115 4.048 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.172 6.334 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.840 6.116 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.025 7.662 0.313 1.00 0.00 H new ATOM 707 N VAL A 45 2.520 9.011 0.288 1.00 0.00 N ATOM 708 CA VAL A 45 3.937 9.267 0.514 1.00 0.00 C ATOM 709 C VAL A 45 4.409 8.635 1.819 1.00 0.00 C ATOM 710 O VAL A 45 4.318 9.244 2.885 1.00 0.00 O ATOM 711 CB VAL A 45 4.236 10.778 0.550 1.00 0.00 C ATOM 712 CG1 VAL A 45 5.710 11.024 0.836 1.00 0.00 C ATOM 713 CG2 VAL A 45 3.821 11.434 -0.757 1.00 0.00 C ATOM 0 H VAL A 45 1.893 9.637 0.794 1.00 0.00 H new ATOM 0 HA VAL A 45 4.476 8.817 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 45 3.655 11.227 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.902 12.097 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.971 10.589 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.314 10.563 0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.039 12.501 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.373 10.984 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.752 11.288 -0.914 1.00 0.00 H new ATOM 723 N VAL A 46 4.914 7.409 1.728 1.00 0.00 N ATOM 724 CA VAL A 46 5.402 6.694 2.901 1.00 0.00 C ATOM 725 C VAL A 46 6.924 6.740 2.979 1.00 0.00 C ATOM 726 O VAL A 46 7.628 6.009 2.282 1.00 0.00 O ATOM 727 CB VAL A 46 4.944 5.224 2.893 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.300 4.546 4.207 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.449 5.134 2.626 1.00 0.00 C ATOM 0 H VAL A 46 4.996 6.890 0.854 1.00 0.00 H new ATOM 0 HA VAL A 46 4.981 7.193 3.774 1.00 0.00 H new ATOM 0 HB VAL A 46 5.466 4.703 2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.968 3.508 4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.380 4.579 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.807 5.065 5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.142 4.088 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.907 5.669 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.225 5.580 1.657 1.00 0.00 H new ATOM 739 N PRO A 47 7.446 7.619 3.848 1.00 0.00 N ATOM 740 CA PRO A 47 8.890 7.781 4.039 1.00 0.00 C ATOM 741 C PRO A 47 9.522 6.576 4.727 1.00 0.00 C ATOM 742 O PRO A 47 8.830 5.769 5.349 1.00 0.00 O ATOM 743 CB PRO A 47 8.993 9.021 4.930 1.00 0.00 C ATOM 744 CG PRO A 47 7.695 9.073 5.659 1.00 0.00 C ATOM 745 CD PRO A 47 6.666 8.521 4.711 1.00 0.00 C ATOM 0 HA PRO A 47 9.419 7.876 3.091 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.832 8.943 5.621 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.151 9.922 4.337 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.738 8.484 6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.451 10.095 5.949 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.877 7.987 5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.185 9.312 4.135 1.00 0.00 H new ATOM 753 N PHE A 48 10.841 6.460 4.612 1.00 0.00 N ATOM 754 CA PHE A 48 11.567 5.352 5.223 1.00 0.00 C ATOM 755 C PHE A 48 13.069 5.623 5.227 1.00 0.00 C ATOM 756 O PHE A 48 13.574 6.389 4.407 1.00 0.00 O ATOM 757 CB PHE A 48 11.274 4.049 4.477 1.00 0.00 C ATOM 758 CG PHE A 48 11.689 4.079 3.034 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.026 3.980 2.681 1.00 0.00 C ATOM 760 CD2 PHE A 48 10.743 4.205 2.029 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.410 4.008 1.354 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.121 4.232 0.700 1.00 0.00 C ATOM 763 CZ PHE A 48 12.456 4.133 0.362 1.00 0.00 C ATOM 0 H PHE A 48 11.429 7.119 4.102 1.00 0.00 H new ATOM 0 HA PHE A 48 11.230 5.255 6.255 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.789 3.229 4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.206 3.838 4.536 1.00 0.00 H new ATOM 0 HD1 PHE A 48 13.776 3.880 3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.697 4.283 2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.455 3.932 1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.373 4.330 -0.073 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.754 4.153 -0.676 1.00 0.00 H new ATOM 773 N GLN A 49 13.776 4.988 6.157 1.00 0.00 N ATOM 774 CA GLN A 49 15.219 5.161 6.269 1.00 0.00 C ATOM 775 C GLN A 49 15.946 3.845 6.018 1.00 0.00 C ATOM 776 O GLN A 49 15.347 2.772 6.076 1.00 0.00 O ATOM 777 CB GLN A 49 15.583 5.703 7.653 1.00 0.00 C ATOM 778 CG GLN A 49 15.126 7.134 7.886 1.00 0.00 C ATOM 779 CD GLN A 49 15.971 8.146 7.138 1.00 0.00 C ATOM 780 OE1 GLN A 49 16.963 7.793 6.500 1.00 0.00 O ATOM 781 NE2 GLN A 49 15.582 9.413 7.212 1.00 0.00 N ATOM 0 H GLN A 49 13.373 4.350 6.843 1.00 0.00 H new ATOM 0 HA GLN A 49 15.533 5.879 5.511 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.140 5.060 8.414 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.664 5.650 7.782 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.086 7.234 7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.162 7.354 8.953 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.753 9.661 7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.112 10.138 6.729 1.00 0.00 H new ATOM 790 N GLY A 50 17.243 3.934 5.738 1.00 0.00 N ATOM 791 CA GLY A 50 18.031 2.743 5.481 1.00 0.00 C ATOM 792 C GLY A 50 19.168 2.997 4.512 1.00 0.00 C ATOM 793 O GLY A 50 19.057 3.836 3.618 1.00 0.00 O ATOM 0 H GLY A 50 17.762 4.810 5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.436 2.369 6.421 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.384 1.963 5.080 1.00 0.00 H new ATOM 797 N LYS A 51 20.267 2.272 4.689 1.00 0.00 N ATOM 798 CA LYS A 51 21.431 2.423 3.824 1.00 0.00 C ATOM 799 C LYS A 51 22.179 1.101 3.682 1.00 0.00 C ATOM 800 O LYS A 51 22.025 0.183 4.489 1.00 0.00 O ATOM 801 CB LYS A 51 22.371 3.495 4.380 1.00 0.00 C ATOM 802 CG LYS A 51 22.098 4.886 3.834 1.00 0.00 C ATOM 803 CD LYS A 51 22.449 5.962 4.848 1.00 0.00 C ATOM 804 CE LYS A 51 23.894 6.414 4.703 1.00 0.00 C ATOM 805 NZ LYS A 51 24.041 7.477 3.670 1.00 0.00 N ATOM 0 H LYS A 51 20.376 1.573 5.424 1.00 0.00 H new ATOM 0 HA LYS A 51 21.081 2.731 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.282 3.516 5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.400 3.219 4.150 1.00 0.00 H new ATOM 0 HG2 LYS A 51 22.677 5.040 2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.046 4.971 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.785 6.816 4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 51 22.285 5.581 5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 51 24.256 6.786 5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 51 24.517 5.560 4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 25.040 7.758 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 23.719 7.114 2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.467 8.302 3.937 1.00 0.00 H new ATOM 819 N PRO A 52 23.010 0.999 2.634 1.00 0.00 N ATOM 820 CA PRO A 52 23.201 2.084 1.667 1.00 0.00 C ATOM 821 C PRO A 52 21.971 2.307 0.795 1.00 0.00 C ATOM 822 O PRO A 52 21.502 3.435 0.643 1.00 0.00 O ATOM 823 CB PRO A 52 24.378 1.598 0.818 1.00 0.00 C ATOM 824 CG PRO A 52 24.340 0.113 0.931 1.00 0.00 C ATOM 825 CD PRO A 52 23.826 -0.184 2.312 1.00 0.00 C ATOM 0 HA PRO A 52 23.378 3.041 2.158 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.277 1.919 -0.219 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.323 1.999 1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.689 -0.320 0.171 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.331 -0.315 0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.233 -1.099 2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.641 -0.316 3.024 1.00 0.00 H new ATOM 833 N ARG A 53 21.451 1.224 0.225 1.00 0.00 N ATOM 834 CA ARG A 53 20.275 1.302 -0.633 1.00 0.00 C ATOM 835 C ARG A 53 19.207 0.310 -0.183 1.00 0.00 C ATOM 836 O ARG A 53 19.222 -0.865 -0.551 1.00 0.00 O ATOM 837 CB ARG A 53 20.660 1.029 -2.088 1.00 0.00 C ATOM 838 CG ARG A 53 19.772 1.740 -3.097 1.00 0.00 C ATOM 839 CD ARG A 53 18.477 0.978 -3.332 1.00 0.00 C ATOM 840 NE ARG A 53 17.667 1.587 -4.384 1.00 0.00 N ATOM 841 CZ ARG A 53 17.932 1.463 -5.680 1.00 0.00 C ATOM 842 NH1 ARG A 53 18.979 0.755 -6.082 1.00 0.00 N ATOM 843 NH2 ARG A 53 17.148 2.047 -6.578 1.00 0.00 N ATOM 0 H ARG A 53 21.826 0.283 0.342 1.00 0.00 H new ATOM 0 HA ARG A 53 19.866 2.309 -0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.694 1.337 -2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 53 20.616 -0.045 -2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 53 19.545 2.744 -2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 53 20.307 1.851 -4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.707 -0.053 -3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.903 0.944 -2.406 1.00 0.00 H new ATOM 0 HE ARG A 53 16.854 2.137 -4.109 1.00 0.00 H new ATOM 0 HH11 ARG A 53 19.583 0.304 -5.395 1.00 0.00 H new ATOM 0 HH12 ARG A 53 19.180 0.662 -7.078 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.341 2.592 -6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.352 1.951 -7.573 1.00 0.00 H new ATOM 857 N PRO A 54 18.257 0.791 0.632 1.00 0.00 N ATOM 858 CA PRO A 54 17.164 -0.037 1.150 1.00 0.00 C ATOM 859 C PRO A 54 16.170 -0.430 0.063 1.00 0.00 C ATOM 860 O PRO A 54 15.647 0.426 -0.651 1.00 0.00 O ATOM 861 CB PRO A 54 16.494 0.868 2.186 1.00 0.00 C ATOM 862 CG PRO A 54 16.814 2.254 1.743 1.00 0.00 C ATOM 863 CD PRO A 54 18.177 2.181 1.111 1.00 0.00 C ATOM 0 HA PRO A 54 17.525 -0.981 1.559 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.417 0.702 2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.877 0.674 3.188 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.073 2.617 1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.811 2.944 2.587 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.279 2.894 0.293 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.966 2.404 1.830 1.00 0.00 H new ATOM 871 N GLN A 55 15.913 -1.728 -0.057 1.00 0.00 N ATOM 872 CA GLN A 55 14.981 -2.233 -1.058 1.00 0.00 C ATOM 873 C GLN A 55 13.548 -1.844 -0.713 1.00 0.00 C ATOM 874 O GLN A 55 13.253 -1.460 0.419 1.00 0.00 O ATOM 875 CB GLN A 55 15.096 -3.755 -1.171 1.00 0.00 C ATOM 876 CG GLN A 55 14.770 -4.288 -2.557 1.00 0.00 C ATOM 877 CD GLN A 55 15.283 -5.697 -2.776 1.00 0.00 C ATOM 878 OE1 GLN A 55 14.527 -6.596 -3.144 1.00 0.00 O ATOM 879 NE2 GLN A 55 16.577 -5.898 -2.550 1.00 0.00 N ATOM 0 H GLN A 55 16.337 -2.449 0.526 1.00 0.00 H new ATOM 0 HA GLN A 55 15.239 -1.784 -2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.109 -4.055 -0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.425 -4.217 -0.446 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.690 -4.272 -2.703 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.203 -3.627 -3.307 1.00 0.00 H new ATOM 0 HE21 GLN A 55 17.168 -5.124 -2.246 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.979 -6.826 -2.681 1.00 0.00 H new ATOM 888 N VAL A 56 12.659 -1.945 -1.696 1.00 0.00 N ATOM 889 CA VAL A 56 11.255 -1.604 -1.496 1.00 0.00 C ATOM 890 C VAL A 56 10.345 -2.545 -2.277 1.00 0.00 C ATOM 891 O VAL A 56 10.569 -2.805 -3.459 1.00 0.00 O ATOM 892 CB VAL A 56 10.964 -0.153 -1.923 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.484 0.163 -1.766 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.814 0.819 -1.119 1.00 0.00 C ATOM 0 H VAL A 56 12.886 -2.260 -2.639 1.00 0.00 H new ATOM 0 HA VAL A 56 11.052 -1.709 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 56 11.225 -0.043 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.297 1.192 -2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.899 -0.513 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.194 0.037 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.596 1.840 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.587 0.710 -0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.869 0.605 -1.288 1.00 0.00 H new ATOM 904 N VAL A 57 9.314 -3.052 -1.608 1.00 0.00 N ATOM 905 CA VAL A 57 8.367 -3.963 -2.239 1.00 0.00 C ATOM 906 C VAL A 57 6.929 -3.529 -1.979 1.00 0.00 C ATOM 907 O VAL A 57 6.536 -3.302 -0.835 1.00 0.00 O ATOM 908 CB VAL A 57 8.555 -5.406 -1.735 1.00 0.00 C ATOM 909 CG1 VAL A 57 7.514 -6.328 -2.352 1.00 0.00 C ATOM 910 CG2 VAL A 57 9.962 -5.898 -2.039 1.00 0.00 C ATOM 0 H VAL A 57 9.114 -2.847 -0.629 1.00 0.00 H new ATOM 0 HA VAL A 57 8.565 -3.932 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 57 8.418 -5.415 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.663 -7.343 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.516 -5.985 -2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.616 -6.317 -3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.077 -6.919 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.131 -5.875 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.688 -5.253 -1.544 1.00 0.00 H new ATOM 920 N TRP A 58 6.149 -3.414 -3.048 1.00 0.00 N ATOM 921 CA TRP A 58 4.753 -3.006 -2.935 1.00 0.00 C ATOM 922 C TRP A 58 3.820 -4.143 -3.338 1.00 0.00 C ATOM 923 O TRP A 58 3.928 -4.689 -4.437 1.00 0.00 O ATOM 924 CB TRP A 58 4.487 -1.778 -3.806 1.00 0.00 C ATOM 925 CG TRP A 58 4.793 -0.483 -3.117 1.00 0.00 C ATOM 926 CD1 TRP A 58 5.821 0.372 -3.397 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.067 0.103 -2.031 1.00 0.00 C ATOM 928 NE1 TRP A 58 5.777 1.454 -2.551 1.00 0.00 N ATOM 929 CE2 TRP A 58 4.710 1.313 -1.704 1.00 0.00 C ATOM 930 CE3 TRP A 58 2.935 -0.276 -1.304 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.257 2.143 -0.682 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.488 0.549 -0.290 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.147 1.747 0.013 1.00 0.00 C ATOM 0 H TRP A 58 6.459 -3.597 -4.002 1.00 0.00 H new ATOM 0 HA TRP A 58 4.557 -2.752 -1.893 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.086 -1.849 -4.714 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.441 -1.779 -4.114 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.560 0.220 -4.170 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.433 2.235 -2.553 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.419 -1.197 -1.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.764 3.067 -0.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.615 0.265 0.279 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.772 2.371 0.811 1.00 0.00 H new ATOM 944 N THR A 59 2.902 -4.495 -2.443 1.00 0.00 N ATOM 945 CA THR A 59 1.951 -5.567 -2.706 1.00 0.00 C ATOM 946 C THR A 59 0.560 -5.204 -2.199 1.00 0.00 C ATOM 947 O THR A 59 0.397 -4.268 -1.416 1.00 0.00 O ATOM 948 CB THR A 59 2.396 -6.887 -2.048 1.00 0.00 C ATOM 949 OG1 THR A 59 2.702 -6.668 -0.666 1.00 0.00 O ATOM 950 CG2 THR A 59 3.613 -7.461 -2.757 1.00 0.00 C ATOM 0 H THR A 59 2.797 -4.053 -1.530 1.00 0.00 H new ATOM 0 HA THR A 59 1.918 -5.702 -3.787 1.00 0.00 H new ATOM 0 HB THR A 59 1.577 -7.602 -2.129 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.328 -7.356 -0.356 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.909 -8.393 -2.275 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.368 -7.655 -3.801 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.435 -6.748 -2.704 1.00 0.00 H new ATOM 958 N LYS A 60 -0.443 -5.952 -2.649 1.00 0.00 N ATOM 959 CA LYS A 60 -1.821 -5.710 -2.240 1.00 0.00 C ATOM 960 C LYS A 60 -2.397 -6.927 -1.523 1.00 0.00 C ATOM 961 O LYS A 60 -3.563 -7.273 -1.705 1.00 0.00 O ATOM 962 CB LYS A 60 -2.683 -5.367 -3.457 1.00 0.00 C ATOM 963 CG LYS A 60 -2.720 -3.883 -3.778 1.00 0.00 C ATOM 964 CD LYS A 60 -3.665 -3.585 -4.930 1.00 0.00 C ATOM 965 CE LYS A 60 -5.090 -3.379 -4.442 1.00 0.00 C ATOM 966 NZ LYS A 60 -6.000 -2.963 -5.546 1.00 0.00 N ATOM 0 H LYS A 60 -0.326 -6.731 -3.297 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.826 -4.867 -1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.304 -5.908 -4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.700 -5.718 -3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.034 -3.327 -2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.717 -3.539 -4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.327 -2.693 -5.458 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.639 -4.407 -5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.458 -4.303 -3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.100 -2.621 -3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.946 -2.767 -5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.626 -2.105 -5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.064 -3.726 -6.250 1.00 0.00 H new ATOM 980 N GLY A 61 -1.570 -7.572 -0.704 1.00 0.00 N ATOM 981 CA GLY A 61 -2.016 -8.742 0.029 1.00 0.00 C ATOM 982 C GLY A 61 -1.056 -9.908 -0.101 1.00 0.00 C ATOM 983 O GLY A 61 -0.924 -10.717 0.816 1.00 0.00 O ATOM 0 H GLY A 61 -0.600 -7.305 -0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.131 -8.485 1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.999 -9.042 -0.335 1.00 0.00 H new ATOM 987 N GLY A 62 -0.385 -9.996 -1.245 1.00 0.00 N ATOM 988 CA GLY A 62 0.557 -11.076 -1.472 1.00 0.00 C ATOM 989 C GLY A 62 1.311 -10.923 -2.778 1.00 0.00 C ATOM 990 O GLY A 62 2.492 -11.260 -2.863 1.00 0.00 O ATOM 0 H GLY A 62 -0.477 -9.338 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.269 -11.112 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.022 -12.026 -1.474 1.00 0.00 H new ATOM 994 N ALA A 63 0.628 -10.414 -3.798 1.00 0.00 N ATOM 995 CA ALA A 63 1.241 -10.217 -5.105 1.00 0.00 C ATOM 996 C ALA A 63 1.605 -8.753 -5.326 1.00 0.00 C ATOM 997 O ALA A 63 0.980 -7.844 -4.779 1.00 0.00 O ATOM 998 CB ALA A 63 0.308 -10.703 -6.205 1.00 0.00 C ATOM 0 H ALA A 63 -0.350 -10.131 -3.744 1.00 0.00 H new ATOM 0 HA ALA A 63 2.160 -10.802 -5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.779 -10.550 -7.176 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.102 -11.764 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.627 -10.144 -6.163 1.00 0.00 H new ATOM 1004 N PRO A 64 2.640 -8.516 -6.146 1.00 0.00 N ATOM 1005 CA PRO A 64 3.110 -7.163 -6.458 1.00 0.00 C ATOM 1006 C PRO A 64 2.120 -6.391 -7.323 1.00 0.00 C ATOM 1007 O PRO A 64 1.051 -6.898 -7.665 1.00 0.00 O ATOM 1008 CB PRO A 64 4.413 -7.407 -7.223 1.00 0.00 C ATOM 1009 CG PRO A 64 4.256 -8.766 -7.814 1.00 0.00 C ATOM 1010 CD PRO A 64 3.430 -9.551 -6.833 1.00 0.00 C ATOM 0 HA PRO A 64 3.235 -6.558 -5.560 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.565 -6.654 -7.996 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.276 -7.361 -6.559 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.764 -8.715 -8.785 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.226 -9.237 -7.972 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.791 -10.276 -7.336 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.056 -10.108 -6.136 1.00 0.00 H new ATOM 1018 N LEU A 65 2.483 -5.162 -7.676 1.00 0.00 N ATOM 1019 CA LEU A 65 1.627 -4.320 -8.503 1.00 0.00 C ATOM 1020 C LEU A 65 2.025 -4.415 -9.973 1.00 0.00 C ATOM 1021 O LEU A 65 2.976 -5.113 -10.324 1.00 0.00 O ATOM 1022 CB LEU A 65 1.704 -2.865 -8.036 1.00 0.00 C ATOM 1023 CG LEU A 65 1.511 -2.631 -6.537 1.00 0.00 C ATOM 1024 CD1 LEU A 65 1.858 -1.196 -6.172 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.083 -2.958 -6.125 1.00 0.00 C ATOM 0 H LEU A 65 3.364 -4.727 -7.402 1.00 0.00 H new ATOM 0 HA LEU A 65 0.602 -4.675 -8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.675 -2.463 -8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.949 -2.291 -8.573 1.00 0.00 H new ATOM 0 HG LEU A 65 2.185 -3.295 -5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.715 -1.048 -5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.898 -0.996 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.210 -0.514 -6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.036 -2.786 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.609 -2.320 -6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.130 -4.003 -6.350 1.00 0.00 H new ATOM 1037 N ASP A 66 1.293 -3.707 -10.826 1.00 0.00 N ATOM 1038 CA ASP A 66 1.571 -3.709 -12.257 1.00 0.00 C ATOM 1039 C ASP A 66 2.025 -2.330 -12.724 1.00 0.00 C ATOM 1040 O ASP A 66 1.234 -1.550 -13.256 1.00 0.00 O ATOM 1041 CB ASP A 66 0.330 -4.143 -13.039 1.00 0.00 C ATOM 1042 CG ASP A 66 0.171 -5.650 -13.083 1.00 0.00 C ATOM 1043 OD1 ASP A 66 1.183 -6.348 -13.309 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -0.964 -6.133 -12.889 1.00 0.00 O ATOM 0 H ASP A 66 0.502 -3.124 -10.551 1.00 0.00 H new ATOM 0 HA ASP A 66 2.376 -4.420 -12.445 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.556 -3.700 -12.584 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.392 -3.757 -14.057 1.00 0.00 H new ATOM 1049 N THR A 67 3.305 -2.034 -12.522 1.00 0.00 N ATOM 1050 CA THR A 67 3.865 -0.748 -12.920 1.00 0.00 C ATOM 1051 C THR A 67 3.317 -0.305 -14.271 1.00 0.00 C ATOM 1052 O THR A 67 3.216 0.890 -14.549 1.00 0.00 O ATOM 1053 CB THR A 67 5.402 -0.804 -12.996 1.00 0.00 C ATOM 1054 OG1 THR A 67 5.810 -1.742 -13.997 1.00 0.00 O ATOM 1055 CG2 THR A 67 5.996 -1.199 -11.652 1.00 0.00 C ATOM 0 H THR A 67 3.974 -2.668 -12.085 1.00 0.00 H new ATOM 0 HA THR A 67 3.572 -0.026 -12.157 1.00 0.00 H new ATOM 0 HB THR A 67 5.767 0.189 -13.260 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.789 -1.770 -14.040 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.083 -1.232 -11.730 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.708 -0.467 -10.898 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.623 -2.182 -11.364 1.00 0.00 H new ATOM 1063 N SER A 68 2.962 -1.275 -15.108 1.00 0.00 N ATOM 1064 CA SER A 68 2.426 -0.984 -16.433 1.00 0.00 C ATOM 1065 C SER A 68 1.289 0.030 -16.348 1.00 0.00 C ATOM 1066 O SER A 68 1.269 1.019 -17.081 1.00 0.00 O ATOM 1067 CB SER A 68 1.930 -2.269 -17.099 1.00 0.00 C ATOM 1068 OG SER A 68 1.858 -2.118 -18.506 1.00 0.00 O ATOM 0 H SER A 68 3.036 -2.269 -14.892 1.00 0.00 H new ATOM 0 HA SER A 68 3.227 -0.556 -17.036 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.600 -3.093 -16.852 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.947 -2.530 -16.707 1.00 0.00 H new ATOM 0 HG SER A 68 1.540 -2.953 -18.909 1.00 0.00 H new ATOM 1074 N ARG A 69 0.344 -0.224 -15.449 1.00 0.00 N ATOM 1075 CA ARG A 69 -0.797 0.665 -15.268 1.00 0.00 C ATOM 1076 C ARG A 69 -0.568 1.614 -14.095 1.00 0.00 C ATOM 1077 O ARG A 69 -0.830 2.812 -14.192 1.00 0.00 O ATOM 1078 CB ARG A 69 -2.072 -0.148 -15.038 1.00 0.00 C ATOM 1079 CG ARG A 69 -2.394 -1.110 -16.170 1.00 0.00 C ATOM 1080 CD ARG A 69 -3.871 -1.470 -16.192 1.00 0.00 C ATOM 1081 NE ARG A 69 -4.158 -2.655 -15.388 1.00 0.00 N ATOM 1082 CZ ARG A 69 -3.792 -3.884 -15.733 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -3.128 -4.089 -16.863 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -4.089 -4.911 -14.948 1.00 0.00 N ATOM 0 H ARG A 69 0.346 -1.038 -14.835 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.910 1.258 -16.175 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.971 -0.712 -14.111 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.910 0.536 -14.905 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.114 -0.660 -17.122 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.799 -2.017 -16.059 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.455 -0.629 -15.819 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.186 -1.645 -17.221 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.668 -2.532 -14.513 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.897 -3.302 -17.469 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.848 -5.034 -17.126 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.599 -4.757 -14.078 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.807 -5.855 -15.214 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.076 1.068 -12.987 1.00 0.00 N ATOM 1099 CA VAL A 70 0.189 1.865 -11.795 1.00 0.00 C ATOM 1100 C VAL A 70 1.543 2.560 -11.890 1.00 0.00 C ATOM 1101 O VAL A 70 2.539 1.953 -12.284 1.00 0.00 O ATOM 1102 CB VAL A 70 0.157 0.999 -10.522 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.167 1.875 -9.279 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -1.059 0.085 -10.530 1.00 0.00 C ATOM 0 H VAL A 70 0.147 0.077 -12.890 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.599 2.616 -11.734 1.00 0.00 H new ATOM 0 HB VAL A 70 1.051 0.376 -10.505 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.144 1.245 -8.390 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.072 2.483 -9.270 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.707 2.526 -9.285 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.066 -0.520 -9.623 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.967 0.687 -10.571 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.017 -0.568 -11.401 1.00 0.00 H new ATOM 1114 N HIS A 71 1.572 3.838 -11.524 1.00 0.00 N ATOM 1115 CA HIS A 71 2.804 4.617 -11.567 1.00 0.00 C ATOM 1116 C HIS A 71 3.341 4.862 -10.160 1.00 0.00 C ATOM 1117 O HIS A 71 2.822 5.701 -9.423 1.00 0.00 O ATOM 1118 CB HIS A 71 2.565 5.952 -12.273 1.00 0.00 C ATOM 1119 CG HIS A 71 3.781 6.493 -12.961 1.00 0.00 C ATOM 1120 ND1 HIS A 71 3.899 6.567 -14.333 1.00 0.00 N ATOM 1121 CD2 HIS A 71 4.935 6.989 -12.458 1.00 0.00 C ATOM 1122 CE1 HIS A 71 5.074 7.083 -14.644 1.00 0.00 C ATOM 1123 NE2 HIS A 71 5.722 7.349 -13.524 1.00 0.00 N ATOM 0 H HIS A 71 0.757 4.355 -11.195 1.00 0.00 H new ATOM 0 HA HIS A 71 3.545 4.047 -12.126 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.768 5.828 -13.006 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.216 6.682 -11.543 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.190 7.084 -11.413 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.443 7.258 -15.644 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.655 7.756 -13.461 1.00 0.00 H new ATOM 1132 N VAL A 72 4.384 4.123 -9.792 1.00 0.00 N ATOM 1133 CA VAL A 72 4.991 4.260 -8.474 1.00 0.00 C ATOM 1134 C VAL A 72 6.450 4.689 -8.583 1.00 0.00 C ATOM 1135 O VAL A 72 7.310 3.903 -8.980 1.00 0.00 O ATOM 1136 CB VAL A 72 4.912 2.943 -7.680 1.00 0.00 C ATOM 1137 CG1 VAL A 72 5.613 3.085 -6.338 1.00 0.00 C ATOM 1138 CG2 VAL A 72 3.463 2.520 -7.492 1.00 0.00 C ATOM 0 H VAL A 72 4.826 3.424 -10.389 1.00 0.00 H new ATOM 0 HA VAL A 72 4.428 5.029 -7.944 1.00 0.00 H new ATOM 0 HB VAL A 72 5.422 2.166 -8.249 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.547 2.144 -5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.661 3.337 -6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.135 3.875 -5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.426 1.587 -6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.926 3.295 -6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.997 2.374 -8.467 1.00 0.00 H new ATOM 1148 N ARG A 73 6.721 5.940 -8.226 1.00 0.00 N ATOM 1149 CA ARG A 73 8.077 6.474 -8.284 1.00 0.00 C ATOM 1150 C ARG A 73 8.789 6.295 -6.947 1.00 0.00 C ATOM 1151 O ARG A 73 8.546 7.039 -5.996 1.00 0.00 O ATOM 1152 CB ARG A 73 8.048 7.955 -8.665 1.00 0.00 C ATOM 1153 CG ARG A 73 7.265 8.820 -7.691 1.00 0.00 C ATOM 1154 CD ARG A 73 6.937 10.178 -8.291 1.00 0.00 C ATOM 1155 NE ARG A 73 6.770 11.204 -7.265 1.00 0.00 N ATOM 1156 CZ ARG A 73 6.677 12.501 -7.532 1.00 0.00 C ATOM 1157 NH1 ARG A 73 6.734 12.930 -8.785 1.00 0.00 N ATOM 1158 NH2 ARG A 73 6.526 13.374 -6.543 1.00 0.00 N ATOM 0 H ARG A 73 6.020 6.603 -7.894 1.00 0.00 H new ATOM 0 HA ARG A 73 8.627 5.921 -9.045 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.071 8.326 -8.725 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.613 8.057 -9.659 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.342 8.312 -7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.843 8.955 -6.777 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.733 10.474 -8.974 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.023 10.103 -8.880 1.00 0.00 H new ATOM 0 HE ARG A 73 6.722 10.908 -6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.850 12.263 -9.548 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.662 13.927 -8.986 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.481 13.048 -5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.455 14.370 -6.749 1.00 0.00 H new ATOM 1172 N THR A 74 9.671 5.302 -6.880 1.00 0.00 N ATOM 1173 CA THR A 74 10.418 5.024 -5.660 1.00 0.00 C ATOM 1174 C THR A 74 11.758 5.750 -5.658 1.00 0.00 C ATOM 1175 O THR A 74 12.381 5.926 -6.705 1.00 0.00 O ATOM 1176 CB THR A 74 10.665 3.514 -5.484 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.451 2.790 -5.710 1.00 0.00 O ATOM 1178 CG2 THR A 74 11.191 3.210 -4.089 1.00 0.00 C ATOM 0 H THR A 74 9.885 4.677 -7.657 1.00 0.00 H new ATOM 0 HA THR A 74 9.811 5.385 -4.829 1.00 0.00 H new ATOM 0 HB THR A 74 11.414 3.203 -6.213 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.617 1.831 -5.598 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.358 2.138 -3.989 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.130 3.740 -3.931 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.462 3.535 -3.347 1.00 0.00 H new ATOM 1186 N SER A 75 12.197 6.170 -4.475 1.00 0.00 N ATOM 1187 CA SER A 75 13.463 6.880 -4.338 1.00 0.00 C ATOM 1188 C SER A 75 14.220 6.407 -3.100 1.00 0.00 C ATOM 1189 O SER A 75 13.627 6.182 -2.045 1.00 0.00 O ATOM 1190 CB SER A 75 13.220 8.388 -4.256 1.00 0.00 C ATOM 1191 OG SER A 75 14.353 9.060 -3.734 1.00 0.00 O ATOM 0 H SER A 75 11.694 6.031 -3.598 1.00 0.00 H new ATOM 0 HA SER A 75 14.069 6.664 -5.218 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.988 8.776 -5.248 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.353 8.586 -3.625 1.00 0.00 H new ATOM 0 HG SER A 75 14.068 9.694 -3.043 1.00 0.00 H new ATOM 1197 N ASP A 76 15.533 6.259 -3.238 1.00 0.00 N ATOM 1198 CA ASP A 76 16.372 5.814 -2.131 1.00 0.00 C ATOM 1199 C ASP A 76 15.922 6.448 -0.819 1.00 0.00 C ATOM 1200 O ASP A 76 16.109 5.875 0.255 1.00 0.00 O ATOM 1201 CB ASP A 76 17.837 6.161 -2.403 1.00 0.00 C ATOM 1202 CG ASP A 76 18.017 7.592 -2.868 1.00 0.00 C ATOM 1203 OD1 ASP A 76 17.687 7.883 -4.038 1.00 0.00 O ATOM 1204 OD2 ASP A 76 18.486 8.423 -2.063 1.00 0.00 O ATOM 0 H ASP A 76 16.039 6.440 -4.105 1.00 0.00 H new ATOM 0 HA ASP A 76 16.272 4.732 -2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.420 6.001 -1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.233 5.484 -3.160 1.00 0.00 H new ATOM 1209 N PHE A 77 15.329 7.633 -0.913 1.00 0.00 N ATOM 1210 CA PHE A 77 14.854 8.346 0.267 1.00 0.00 C ATOM 1211 C PHE A 77 13.521 7.778 0.746 1.00 0.00 C ATOM 1212 O PHE A 77 13.441 7.162 1.808 1.00 0.00 O ATOM 1213 CB PHE A 77 14.706 9.838 -0.037 1.00 0.00 C ATOM 1214 CG PHE A 77 15.908 10.434 -0.713 1.00 0.00 C ATOM 1215 CD1 PHE A 77 17.177 10.243 -0.192 1.00 0.00 C ATOM 1216 CD2 PHE A 77 15.767 11.186 -1.868 1.00 0.00 C ATOM 1217 CE1 PHE A 77 18.285 10.790 -0.811 1.00 0.00 C ATOM 1218 CE2 PHE A 77 16.872 11.735 -2.492 1.00 0.00 C ATOM 1219 CZ PHE A 77 18.132 11.538 -1.962 1.00 0.00 C ATOM 0 H PHE A 77 15.166 8.120 -1.794 1.00 0.00 H new ATOM 0 HA PHE A 77 15.590 8.216 1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.832 9.987 -0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.520 10.374 0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.302 9.660 0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 77 14.784 11.345 -2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 77 19.269 10.633 -0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 77 16.750 12.317 -3.393 1.00 0.00 H new ATOM 0 HZ PHE A 77 18.996 11.968 -2.447 1.00 0.00 H new ATOM 1229 N ASP A 78 12.476 7.992 -0.046 1.00 0.00 N ATOM 1230 CA ASP A 78 11.145 7.501 0.294 1.00 0.00 C ATOM 1231 C ASP A 78 10.415 7.002 -0.948 1.00 0.00 C ATOM 1232 O ASP A 78 10.816 7.292 -2.076 1.00 0.00 O ATOM 1233 CB ASP A 78 10.330 8.604 0.971 1.00 0.00 C ATOM 1234 CG ASP A 78 10.285 9.878 0.150 1.00 0.00 C ATOM 1235 OD1 ASP A 78 11.278 10.633 0.172 1.00 0.00 O ATOM 1236 OD2 ASP A 78 9.255 10.119 -0.515 1.00 0.00 O ATOM 0 H ASP A 78 12.525 8.502 -0.928 1.00 0.00 H new ATOM 0 HA ASP A 78 11.259 6.666 0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.314 8.249 1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.759 8.821 1.949 1.00 0.00 H new ATOM 1241 N THR A 79 9.341 6.248 -0.735 1.00 0.00 N ATOM 1242 CA THR A 79 8.557 5.706 -1.837 1.00 0.00 C ATOM 1243 C THR A 79 7.331 6.568 -2.115 1.00 0.00 C ATOM 1244 O THR A 79 6.830 7.257 -1.227 1.00 0.00 O ATOM 1245 CB THR A 79 8.100 4.264 -1.545 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.346 3.755 -2.652 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.255 4.209 -0.282 1.00 0.00 C ATOM 0 H THR A 79 8.994 5.999 0.191 1.00 0.00 H new ATOM 0 HA THR A 79 9.204 5.704 -2.714 1.00 0.00 H new ATOM 0 HB THR A 79 8.987 3.649 -1.396 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.920 3.182 -3.203 1.00 0.00 H new ATOM 0 HG21 THR A 79 6.944 3.181 -0.097 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.841 4.569 0.564 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.373 4.838 -0.406 1.00 0.00 H new ATOM 1255 N VAL A 80 6.852 6.525 -3.355 1.00 0.00 N ATOM 1256 CA VAL A 80 5.683 7.301 -3.750 1.00 0.00 C ATOM 1257 C VAL A 80 4.737 6.472 -4.611 1.00 0.00 C ATOM 1258 O VAL A 80 5.171 5.749 -5.509 1.00 0.00 O ATOM 1259 CB VAL A 80 6.087 8.569 -4.526 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.861 9.406 -4.858 1.00 0.00 C ATOM 1261 CG2 VAL A 80 7.097 9.381 -3.730 1.00 0.00 C ATOM 0 H VAL A 80 7.256 5.961 -4.103 1.00 0.00 H new ATOM 0 HA VAL A 80 5.172 7.592 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 80 6.555 8.267 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.166 10.297 -5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.176 8.820 -5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.361 9.701 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.371 10.273 -4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.658 9.674 -2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.987 8.778 -3.549 1.00 0.00 H new ATOM 1271 N PHE A 81 3.443 6.580 -4.332 1.00 0.00 N ATOM 1272 CA PHE A 81 2.434 5.839 -5.081 1.00 0.00 C ATOM 1273 C PHE A 81 1.452 6.791 -5.759 1.00 0.00 C ATOM 1274 O PHE A 81 1.020 7.780 -5.167 1.00 0.00 O ATOM 1275 CB PHE A 81 1.679 4.885 -4.154 1.00 0.00 C ATOM 1276 CG PHE A 81 0.445 4.296 -4.775 1.00 0.00 C ATOM 1277 CD1 PHE A 81 0.532 3.194 -5.610 1.00 0.00 C ATOM 1278 CD2 PHE A 81 -0.802 4.847 -4.526 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -0.602 2.650 -6.183 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -1.939 4.307 -5.096 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.839 3.208 -5.927 1.00 0.00 C ATOM 0 H PHE A 81 3.067 7.174 -3.592 1.00 0.00 H new ATOM 0 HA PHE A 81 2.942 5.259 -5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.347 4.077 -3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.399 5.419 -3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.497 2.755 -5.816 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.886 5.708 -3.879 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.521 1.789 -6.830 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.905 4.744 -4.892 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.726 2.786 -6.375 1.00 0.00 H new ATOM 1291 N PHE A 82 1.105 6.484 -7.004 1.00 0.00 N ATOM 1292 CA PHE A 82 0.176 7.312 -7.764 1.00 0.00 C ATOM 1293 C PHE A 82 -0.663 6.458 -8.711 1.00 0.00 C ATOM 1294 O PHE A 82 -0.148 5.560 -9.377 1.00 0.00 O ATOM 1295 CB PHE A 82 0.938 8.374 -8.558 1.00 0.00 C ATOM 1296 CG PHE A 82 0.073 9.140 -9.518 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.735 10.173 -9.071 1.00 0.00 C ATOM 1298 CD2 PHE A 82 0.069 8.828 -10.868 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.532 10.880 -9.952 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -0.725 9.531 -11.754 1.00 0.00 C ATOM 1301 CZ PHE A 82 -1.527 10.558 -11.295 1.00 0.00 C ATOM 0 H PHE A 82 1.453 5.668 -7.508 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.492 7.806 -7.059 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.402 9.073 -7.862 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.744 7.893 -9.112 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.742 10.429 -8.022 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.694 8.026 -11.232 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.158 11.683 -9.591 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.719 9.278 -12.804 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.149 11.108 -11.985 1.00 0.00 H new ATOM 1311 N VAL A 83 -1.960 6.744 -8.764 1.00 0.00 N ATOM 1312 CA VAL A 83 -2.872 6.005 -9.629 1.00 0.00 C ATOM 1313 C VAL A 83 -3.819 6.947 -10.363 1.00 0.00 C ATOM 1314 O VAL A 83 -4.459 7.802 -9.751 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.700 4.983 -8.827 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.996 5.612 -8.339 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -3.982 3.748 -9.670 1.00 0.00 C ATOM 0 H VAL A 83 -2.403 7.483 -8.218 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.258 5.474 -10.357 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.122 4.676 -7.955 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.568 4.876 -7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.768 6.464 -7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.582 5.948 -9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.568 3.036 -9.088 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.541 4.035 -10.561 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.040 3.286 -9.966 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.904 6.784 -11.679 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.773 7.620 -12.498 1.00 0.00 C ATOM 1329 C ARG A 84 -6.199 7.619 -11.954 1.00 0.00 C ATOM 1330 O ARG A 84 -6.749 8.671 -11.629 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.768 7.132 -13.948 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.319 8.148 -14.935 1.00 0.00 C ATOM 1333 CD ARG A 84 -4.229 9.081 -15.439 1.00 0.00 C ATOM 1334 NE ARG A 84 -4.568 9.669 -16.733 1.00 0.00 N ATOM 1335 CZ ARG A 84 -3.909 10.689 -17.271 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -2.881 11.231 -16.632 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -4.277 11.169 -18.452 1.00 0.00 N ATOM 0 H ARG A 84 -3.382 6.080 -12.201 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.390 8.640 -12.464 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.747 6.878 -14.233 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.355 6.216 -14.016 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.774 7.628 -15.778 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.107 8.731 -14.458 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.067 9.876 -14.711 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.292 8.531 -15.525 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.353 9.275 -17.251 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.594 10.865 -15.724 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.377 12.014 -17.048 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.067 10.755 -18.947 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.770 11.952 -18.864 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.790 6.433 -11.860 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.151 6.296 -11.357 1.00 0.00 C ATOM 1353 C GLN A 85 -8.208 5.299 -10.204 1.00 0.00 C ATOM 1354 O GLN A 85 -7.714 4.178 -10.315 1.00 0.00 O ATOM 1355 CB GLN A 85 -9.090 5.849 -12.480 1.00 0.00 C ATOM 1356 CG GLN A 85 -8.895 6.616 -13.777 1.00 0.00 C ATOM 1357 CD GLN A 85 -9.890 6.215 -14.848 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -9.834 5.106 -15.379 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -10.810 7.117 -15.171 1.00 0.00 N ATOM 0 H GLN A 85 -6.348 5.553 -12.126 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.474 7.269 -10.988 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.937 4.787 -12.669 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -10.122 5.968 -12.149 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.989 7.684 -13.581 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.883 6.448 -14.145 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.820 8.025 -14.705 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.507 6.902 -15.885 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.814 5.717 -9.097 1.00 0.00 N ATOM 1369 CA ALA A 86 -8.936 4.860 -7.924 1.00 0.00 C ATOM 1370 C ALA A 86 -10.261 4.104 -7.933 1.00 0.00 C ATOM 1371 O ALA A 86 -11.179 4.432 -7.182 1.00 0.00 O ATOM 1372 CB ALA A 86 -8.806 5.685 -6.652 1.00 0.00 C ATOM 0 H ALA A 86 -9.228 6.643 -8.988 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.129 4.128 -7.953 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.899 5.032 -5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.833 6.176 -6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.593 6.439 -6.625 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.352 3.090 -8.787 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.563 2.286 -8.892 1.00 0.00 C ATOM 1380 C ALA A 87 -11.727 1.379 -7.677 1.00 0.00 C ATOM 1381 O ALA A 87 -10.748 1.012 -7.028 1.00 0.00 O ATOM 1382 CB ALA A 87 -11.540 1.460 -10.170 1.00 0.00 C ATOM 0 H ALA A 87 -9.601 2.806 -9.416 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.417 2.963 -8.926 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.451 0.865 -10.235 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.479 2.125 -11.032 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.674 0.798 -10.160 1.00 0.00 H new ATOM 1388 N ARG A 88 -12.971 1.022 -7.374 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.263 0.159 -6.236 1.00 0.00 C ATOM 1390 C ARG A 88 -12.234 -0.962 -6.125 1.00 0.00 C ATOM 1391 O ARG A 88 -11.989 -1.488 -5.040 1.00 0.00 O ATOM 1392 CB ARG A 88 -14.667 -0.433 -6.365 1.00 0.00 C ATOM 1393 CG ARG A 88 -15.761 0.464 -5.808 1.00 0.00 C ATOM 1394 CD ARG A 88 -16.289 1.420 -6.866 1.00 0.00 C ATOM 1395 NE ARG A 88 -16.906 0.712 -7.985 1.00 0.00 N ATOM 1396 CZ ARG A 88 -17.475 1.323 -9.018 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -17.505 2.647 -9.074 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -18.015 0.609 -9.997 1.00 0.00 N ATOM 0 H ARG A 88 -13.793 1.317 -7.901 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.213 0.764 -5.331 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -14.873 -0.632 -7.417 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.697 -1.392 -5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -16.579 -0.149 -5.430 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.372 1.033 -4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.019 2.092 -6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.472 2.039 -7.235 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.899 -0.308 -7.972 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -17.091 3.199 -8.323 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.942 3.114 -9.868 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.993 -0.410 -9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.452 1.079 -10.790 1.00 0.00 H new ATOM 1412 N SER A 89 -11.636 -1.323 -7.256 1.00 0.00 N ATOM 1413 CA SER A 89 -10.637 -2.384 -7.288 1.00 0.00 C ATOM 1414 C SER A 89 -9.368 -1.958 -6.555 1.00 0.00 C ATOM 1415 O SER A 89 -8.793 -2.729 -5.787 1.00 0.00 O ATOM 1416 CB SER A 89 -10.304 -2.758 -8.733 1.00 0.00 C ATOM 1417 OG SER A 89 -11.398 -3.407 -9.357 1.00 0.00 O ATOM 0 H SER A 89 -11.826 -0.896 -8.162 1.00 0.00 H new ATOM 0 HA SER A 89 -11.053 -3.255 -6.782 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.042 -1.860 -9.293 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.431 -3.411 -8.751 1.00 0.00 H new ATOM 0 HG SER A 89 -11.160 -3.634 -10.280 1.00 0.00 H new ATOM 1423 N ASP A 90 -8.937 -0.726 -6.800 1.00 0.00 N ATOM 1424 CA ASP A 90 -7.737 -0.195 -6.164 1.00 0.00 C ATOM 1425 C ASP A 90 -7.781 -0.411 -4.654 1.00 0.00 C ATOM 1426 O ASP A 90 -6.787 -0.803 -4.044 1.00 0.00 O ATOM 1427 CB ASP A 90 -7.587 1.295 -6.474 1.00 0.00 C ATOM 1428 CG ASP A 90 -6.796 1.546 -7.743 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -7.383 1.433 -8.840 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -5.591 1.855 -7.640 1.00 0.00 O ATOM 0 H ASP A 90 -9.401 -0.076 -7.435 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.876 -0.730 -6.565 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.575 1.744 -6.571 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.093 1.789 -5.638 1.00 0.00 H new ATOM 1435 N SER A 91 -8.941 -0.152 -4.058 1.00 0.00 N ATOM 1436 CA SER A 91 -9.113 -0.313 -2.619 1.00 0.00 C ATOM 1437 C SER A 91 -8.682 -1.708 -2.174 1.00 0.00 C ATOM 1438 O SER A 91 -8.860 -2.686 -2.898 1.00 0.00 O ATOM 1439 CB SER A 91 -10.572 -0.069 -2.228 1.00 0.00 C ATOM 1440 OG SER A 91 -10.924 -0.817 -1.077 1.00 0.00 O ATOM 0 H SER A 91 -9.775 0.170 -4.549 1.00 0.00 H new ATOM 0 HA SER A 91 -8.482 0.421 -2.118 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.728 0.993 -2.037 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.225 -0.343 -3.057 1.00 0.00 H new ATOM 0 HG SER A 91 -10.309 -0.600 -0.345 1.00 0.00 H new ATOM 1446 N GLY A 92 -8.114 -1.790 -0.974 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.667 -3.067 -0.451 1.00 0.00 C ATOM 1448 C GLY A 92 -6.660 -2.914 0.672 1.00 0.00 C ATOM 1449 O GLY A 92 -6.833 -2.078 1.558 1.00 0.00 O ATOM 0 H GLY A 92 -7.956 -0.995 -0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.528 -3.629 -0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.222 -3.650 -1.257 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.606 -3.723 0.634 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.569 -3.674 1.659 1.00 0.00 C ATOM 1455 C GLU A 93 -3.180 -3.665 1.027 1.00 0.00 C ATOM 1456 O GLU A 93 -2.688 -4.697 0.569 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.703 -4.866 2.608 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.907 -4.713 3.893 1.00 0.00 C ATOM 1459 CD GLU A 93 -3.616 -6.042 4.562 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -2.914 -6.874 3.950 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -4.091 -6.251 5.698 1.00 0.00 O ATOM 0 H GLU A 93 -5.447 -4.419 -0.094 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.697 -2.752 2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.755 -5.005 2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.375 -5.769 2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.967 -4.207 3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.459 -4.076 4.584 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.554 -2.494 1.006 1.00 0.00 N ATOM 1469 CA TYR A 94 -1.223 -2.350 0.428 1.00 0.00 C ATOM 1470 C TYR A 94 -0.144 -2.641 1.466 1.00 0.00 C ATOM 1471 O TYR A 94 0.001 -1.912 2.447 1.00 0.00 O ATOM 1472 CB TYR A 94 -1.038 -0.939 -0.134 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.808 -0.691 -1.412 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -3.179 -0.907 -1.474 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -1.163 -0.240 -2.557 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.885 -0.682 -2.639 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.862 -0.011 -3.727 1.00 0.00 C ATOM 1478 CZ TYR A 94 -3.223 -0.234 -3.763 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.923 -0.008 -4.925 1.00 0.00 O ATOM 0 H TYR A 94 -2.946 -1.631 1.382 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.127 -3.073 -0.382 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.353 -0.214 0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.022 -0.767 -0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.701 -1.257 -0.596 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.097 -0.065 -2.532 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.950 -0.856 -2.670 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.346 0.341 -4.608 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.868 -0.229 -4.786 1.00 0.00 H new ATOM 1489 N GLU A 95 0.611 -3.712 1.241 1.00 0.00 N ATOM 1490 CA GLU A 95 1.678 -4.100 2.157 1.00 0.00 C ATOM 1491 C GLU A 95 3.036 -3.636 1.639 1.00 0.00 C ATOM 1492 O GLU A 95 3.430 -3.963 0.518 1.00 0.00 O ATOM 1493 CB GLU A 95 1.685 -5.617 2.353 1.00 0.00 C ATOM 1494 CG GLU A 95 2.892 -6.126 3.124 1.00 0.00 C ATOM 1495 CD GLU A 95 4.067 -6.446 2.221 1.00 0.00 C ATOM 1496 OE1 GLU A 95 4.047 -7.518 1.580 1.00 0.00 O ATOM 1497 OE2 GLU A 95 5.007 -5.627 2.156 1.00 0.00 O ATOM 0 H GLU A 95 0.504 -4.326 0.433 1.00 0.00 H new ATOM 0 HA GLU A 95 1.491 -3.618 3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.777 -5.911 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.658 -6.101 1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.194 -5.376 3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.612 -7.020 3.681 1.00 0.00 H new ATOM 1504 N LEU A 96 3.747 -2.873 2.461 1.00 0.00 N ATOM 1505 CA LEU A 96 5.062 -2.363 2.086 1.00 0.00 C ATOM 1506 C LEU A 96 6.155 -2.995 2.943 1.00 0.00 C ATOM 1507 O LEU A 96 5.990 -3.166 4.151 1.00 0.00 O ATOM 1508 CB LEU A 96 5.100 -0.841 2.231 1.00 0.00 C ATOM 1509 CG LEU A 96 6.456 -0.178 1.986 1.00 0.00 C ATOM 1510 CD1 LEU A 96 6.837 -0.269 0.516 1.00 0.00 C ATOM 1511 CD2 LEU A 96 6.430 1.274 2.442 1.00 0.00 C ATOM 0 H LEU A 96 3.436 -2.594 3.391 1.00 0.00 H new ATOM 0 HA LEU A 96 5.244 -2.627 1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.377 -0.412 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.768 -0.583 3.237 1.00 0.00 H new ATOM 0 HG LEU A 96 7.209 -0.708 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.805 0.208 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.897 -1.316 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.083 0.236 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.403 1.730 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.665 1.816 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.203 1.317 3.507 1.00 0.00 H new ATOM 1523 N SER A 97 7.272 -3.336 2.310 1.00 0.00 N ATOM 1524 CA SER A 97 8.393 -3.950 3.013 1.00 0.00 C ATOM 1525 C SER A 97 9.721 -3.388 2.514 1.00 0.00 C ATOM 1526 O SER A 97 9.800 -2.828 1.421 1.00 0.00 O ATOM 1527 CB SER A 97 8.367 -5.469 2.830 1.00 0.00 C ATOM 1528 OG SER A 97 7.746 -5.824 1.607 1.00 0.00 O ATOM 0 H SER A 97 7.426 -3.198 1.311 1.00 0.00 H new ATOM 0 HA SER A 97 8.296 -3.718 4.074 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.385 -5.859 2.851 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.832 -5.930 3.660 1.00 0.00 H new ATOM 0 HG SER A 97 6.772 -5.783 1.710 1.00 0.00 H new ATOM 1534 N VAL A 98 10.763 -3.543 3.325 1.00 0.00 N ATOM 1535 CA VAL A 98 12.089 -3.053 2.967 1.00 0.00 C ATOM 1536 C VAL A 98 13.153 -4.117 3.211 1.00 0.00 C ATOM 1537 O VAL A 98 13.468 -4.441 4.355 1.00 0.00 O ATOM 1538 CB VAL A 98 12.453 -1.786 3.764 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.863 -1.329 3.425 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.445 -0.679 3.495 1.00 0.00 C ATOM 0 H VAL A 98 10.715 -4.004 4.234 1.00 0.00 H new ATOM 0 HA VAL A 98 12.060 -2.810 1.905 1.00 0.00 H new ATOM 0 HB VAL A 98 12.420 -2.025 4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 98 14.103 -0.433 3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.571 -2.119 3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.927 -1.107 2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.718 0.208 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.443 -0.439 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.451 -1.011 3.794 1.00 0.00 H new ATOM 1550 N GLN A 99 13.701 -4.657 2.128 1.00 0.00 N ATOM 1551 CA GLN A 99 14.730 -5.686 2.225 1.00 0.00 C ATOM 1552 C GLN A 99 16.122 -5.063 2.252 1.00 0.00 C ATOM 1553 O GLN A 99 16.470 -4.258 1.387 1.00 0.00 O ATOM 1554 CB GLN A 99 14.618 -6.661 1.052 1.00 0.00 C ATOM 1555 CG GLN A 99 15.087 -8.068 1.384 1.00 0.00 C ATOM 1556 CD GLN A 99 14.740 -9.070 0.300 1.00 0.00 C ATOM 1557 OE1 GLN A 99 13.568 -9.307 0.009 1.00 0.00 O ATOM 1558 NE2 GLN A 99 15.762 -9.665 -0.306 1.00 0.00 N ATOM 0 H GLN A 99 13.450 -4.400 1.173 1.00 0.00 H new ATOM 0 HA GLN A 99 14.577 -6.230 3.157 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.580 -6.701 0.722 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.204 -6.279 0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.166 -8.061 1.535 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.636 -8.385 2.324 1.00 0.00 H new ATOM 0 HE21 GLN A 99 16.718 -9.439 -0.033 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.590 -10.348 -1.044 1.00 0.00 H new ATOM 1567 N ILE A 100 16.914 -5.439 3.250 1.00 0.00 N ATOM 1568 CA ILE A 100 18.268 -4.918 3.389 1.00 0.00 C ATOM 1569 C ILE A 100 19.293 -6.046 3.401 1.00 0.00 C ATOM 1570 O ILE A 100 18.956 -7.201 3.661 1.00 0.00 O ATOM 1571 CB ILE A 100 18.421 -4.086 4.677 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.326 -3.020 4.755 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.799 -3.442 4.730 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.670 -1.745 4.018 1.00 0.00 C ATOM 0 H ILE A 100 16.641 -6.103 3.975 1.00 0.00 H new ATOM 0 HA ILE A 100 18.449 -4.276 2.527 1.00 0.00 H new ATOM 0 HB ILE A 100 18.317 -4.750 5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.402 -3.429 4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 100 17.134 -2.784 5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.892 -2.858 5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.564 -4.218 4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.929 -2.788 3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.849 -1.035 4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.576 -1.313 4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.833 -1.967 2.963 1.00 0.00 H new ATOM 1586 N GLU A 101 20.546 -5.703 3.120 1.00 0.00 N ATOM 1587 CA GLU A 101 21.621 -6.688 3.100 1.00 0.00 C ATOM 1588 C GLU A 101 21.341 -7.820 4.085 1.00 0.00 C ATOM 1589 O GLU A 101 21.255 -8.985 3.700 1.00 0.00 O ATOM 1590 CB GLU A 101 22.958 -6.024 3.435 1.00 0.00 C ATOM 1591 CG GLU A 101 23.588 -5.296 2.260 1.00 0.00 C ATOM 1592 CD GLU A 101 24.423 -6.212 1.386 1.00 0.00 C ATOM 1593 OE1 GLU A 101 25.615 -6.407 1.702 1.00 0.00 O ATOM 1594 OE2 GLU A 101 23.884 -6.733 0.387 1.00 0.00 O ATOM 0 H GLU A 101 20.842 -4.751 2.903 1.00 0.00 H new ATOM 0 HA GLU A 101 21.674 -7.109 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.808 -5.317 4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.651 -6.784 3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 101 22.803 -4.840 1.656 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.214 -4.486 2.633 1.00 0.00 H new ATOM 1601 N ASN A 102 21.200 -7.466 5.358 1.00 0.00 N ATOM 1602 CA ASN A 102 20.931 -8.451 6.400 1.00 0.00 C ATOM 1603 C ASN A 102 19.676 -8.083 7.185 1.00 0.00 C ATOM 1604 O ASN A 102 19.082 -8.927 7.855 1.00 0.00 O ATOM 1605 CB ASN A 102 22.127 -8.560 7.349 1.00 0.00 C ATOM 1606 CG ASN A 102 22.190 -9.905 8.046 1.00 0.00 C ATOM 1607 OD1 ASN A 102 22.463 -10.929 7.420 1.00 0.00 O ATOM 1608 ND2 ASN A 102 21.937 -9.908 9.350 1.00 0.00 N ATOM 0 H ASN A 102 21.267 -6.505 5.693 1.00 0.00 H new ATOM 0 HA ASN A 102 20.768 -9.416 5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 102 23.048 -8.401 6.788 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.068 -7.769 8.096 1.00 0.00 H new ATOM 0 HD21 ASN A 102 21.965 -10.783 9.873 1.00 0.00 H new ATOM 0 HD22 ASN A 102 21.715 -9.035 9.828 1.00 0.00 H new ATOM 1615 N MET A 103 19.279 -6.818 7.096 1.00 0.00 N ATOM 1616 CA MET A 103 18.093 -6.339 7.797 1.00 0.00 C ATOM 1617 C MET A 103 16.875 -6.356 6.879 1.00 0.00 C ATOM 1618 O MET A 103 17.004 -6.492 5.662 1.00 0.00 O ATOM 1619 CB MET A 103 18.326 -4.923 8.328 1.00 0.00 C ATOM 1620 CG MET A 103 19.307 -4.862 9.488 1.00 0.00 C ATOM 1621 SD MET A 103 18.633 -5.568 11.005 1.00 0.00 S ATOM 1622 CE MET A 103 17.399 -4.342 11.430 1.00 0.00 C ATOM 0 H MET A 103 19.760 -6.107 6.546 1.00 0.00 H new ATOM 0 HA MET A 103 17.903 -7.008 8.636 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.696 -4.296 7.517 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.372 -4.502 8.647 1.00 0.00 H new ATOM 0 HG2 MET A 103 20.218 -5.396 9.217 1.00 0.00 H new ATOM 0 HG3 MET A 103 19.587 -3.824 9.668 1.00 0.00 H new ATOM 0 HE1 MET A 103 17.058 -4.508 12.452 1.00 0.00 H new ATOM 0 HE2 MET A 103 17.834 -3.346 11.350 1.00 0.00 H new ATOM 0 HE3 MET A 103 16.554 -4.425 10.747 1.00 0.00 H new ATOM 1632 N LYS A 104 15.693 -6.219 7.470 1.00 0.00 N ATOM 1633 CA LYS A 104 14.451 -6.218 6.706 1.00 0.00 C ATOM 1634 C LYS A 104 13.322 -5.574 7.504 1.00 0.00 C ATOM 1635 O LYS A 104 13.332 -5.590 8.735 1.00 0.00 O ATOM 1636 CB LYS A 104 14.065 -7.648 6.319 1.00 0.00 C ATOM 1637 CG LYS A 104 13.000 -7.719 5.239 1.00 0.00 C ATOM 1638 CD LYS A 104 12.242 -9.035 5.288 1.00 0.00 C ATOM 1639 CE LYS A 104 11.167 -9.019 6.364 1.00 0.00 C ATOM 1640 NZ LYS A 104 10.835 -10.392 6.836 1.00 0.00 N ATOM 0 H LYS A 104 15.569 -6.107 8.476 1.00 0.00 H new ATOM 0 HA LYS A 104 14.611 -5.633 5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.955 -8.175 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.707 -8.171 7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.301 -6.891 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.465 -7.602 4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.784 -9.229 4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.939 -9.851 5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.506 -8.417 7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.268 -8.542 5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.099 -10.339 7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.488 -10.959 6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.687 -10.838 7.233 1.00 0.00 H new ATOM 1654 N ASP A 105 12.349 -5.011 6.796 1.00 0.00 N ATOM 1655 CA ASP A 105 11.211 -4.364 7.439 1.00 0.00 C ATOM 1656 C ASP A 105 9.919 -4.664 6.685 1.00 0.00 C ATOM 1657 O ASP A 105 9.944 -5.042 5.514 1.00 0.00 O ATOM 1658 CB ASP A 105 11.433 -2.852 7.515 1.00 0.00 C ATOM 1659 CG ASP A 105 10.707 -2.219 8.686 1.00 0.00 C ATOM 1660 OD1 ASP A 105 9.725 -2.819 9.170 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.122 -1.124 9.118 1.00 0.00 O ATOM 0 H ASP A 105 12.325 -4.990 5.776 1.00 0.00 H new ATOM 0 HA ASP A 105 11.121 -4.761 8.450 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.500 -2.648 7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.093 -2.391 6.588 1.00 0.00 H new ATOM 1666 N THR A 106 8.790 -4.493 7.366 1.00 0.00 N ATOM 1667 CA THR A 106 7.488 -4.748 6.763 1.00 0.00 C ATOM 1668 C THR A 106 6.449 -3.747 7.255 1.00 0.00 C ATOM 1669 O THR A 106 6.647 -3.082 8.272 1.00 0.00 O ATOM 1670 CB THR A 106 6.996 -6.175 7.069 1.00 0.00 C ATOM 1671 OG1 THR A 106 7.307 -6.520 8.424 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.634 -7.182 6.124 1.00 0.00 C ATOM 0 H THR A 106 8.751 -4.179 8.336 1.00 0.00 H new ATOM 0 HA THR A 106 7.612 -4.639 5.686 1.00 0.00 H new ATOM 0 HB THR A 106 5.916 -6.202 6.927 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.990 -7.428 8.611 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.271 -8.183 6.360 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.371 -6.933 5.096 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.718 -7.153 6.239 1.00 0.00 H new ATOM 1680 N ALA A 107 5.340 -3.646 6.529 1.00 0.00 N ATOM 1681 CA ALA A 107 4.269 -2.728 6.894 1.00 0.00 C ATOM 1682 C ALA A 107 2.991 -3.040 6.122 1.00 0.00 C ATOM 1683 O ALA A 107 3.040 -3.501 4.981 1.00 0.00 O ATOM 1684 CB ALA A 107 4.699 -1.290 6.648 1.00 0.00 C ATOM 0 H ALA A 107 5.160 -4.189 5.684 1.00 0.00 H new ATOM 0 HA ALA A 107 4.061 -2.856 7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.889 -0.616 6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.580 -1.066 7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.937 -1.157 5.593 1.00 0.00 H new ATOM 1690 N THR A 108 1.848 -2.787 6.751 1.00 0.00 N ATOM 1691 CA THR A 108 0.558 -3.043 6.124 1.00 0.00 C ATOM 1692 C THR A 108 -0.295 -1.780 6.085 1.00 0.00 C ATOM 1693 O THR A 108 -0.392 -1.055 7.075 1.00 0.00 O ATOM 1694 CB THR A 108 -0.218 -4.149 6.864 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.576 -5.339 6.937 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.532 -4.453 6.161 1.00 0.00 C ATOM 0 H THR A 108 1.790 -2.405 7.695 1.00 0.00 H new ATOM 0 HA THR A 108 0.763 -3.372 5.105 1.00 0.00 H new ATOM 0 HB THR A 108 -0.437 -3.796 7.872 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.077 -6.037 7.410 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.061 -5.237 6.702 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.146 -3.553 6.133 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.331 -4.787 5.143 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.911 -1.523 4.936 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.756 -0.347 4.769 1.00 0.00 C ATOM 1706 C ILE A 109 -3.163 -0.740 4.331 1.00 0.00 C ATOM 1707 O ILE A 109 -3.349 -1.723 3.614 1.00 0.00 O ATOM 1708 CB ILE A 109 -1.164 0.632 3.739 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.249 1.049 4.153 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -2.060 1.852 3.591 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.064 1.630 3.019 1.00 0.00 C ATOM 0 H ILE A 109 -0.841 -2.113 4.107 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.804 0.147 5.739 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.106 0.129 2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.182 1.784 4.955 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.771 0.182 4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.628 2.534 2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.049 1.539 3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.147 2.358 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.054 1.903 3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.162 0.890 2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.564 2.516 2.629 1.00 0.00 H new ATOM 1723 N ARG A 110 -4.151 0.036 4.764 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.541 -0.230 4.416 1.00 0.00 C ATOM 1725 C ARG A 110 -6.131 0.926 3.614 1.00 0.00 C ATOM 1726 O ARG A 110 -6.132 2.072 4.066 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.370 -0.463 5.680 1.00 0.00 C ATOM 1728 CG ARG A 110 -6.042 -1.765 6.392 1.00 0.00 C ATOM 1729 CD ARG A 110 -6.575 -1.771 7.816 1.00 0.00 C ATOM 1730 NE ARG A 110 -8.032 -1.872 7.855 1.00 0.00 N ATOM 1731 CZ ARG A 110 -8.691 -3.023 7.773 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -8.027 -4.164 7.650 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -10.017 -3.033 7.815 1.00 0.00 N ATOM 0 H ARG A 110 -4.014 0.855 5.357 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.570 -1.129 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.210 0.368 6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.428 -0.459 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.470 -2.601 5.839 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.962 -1.911 6.406 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.139 -2.607 8.363 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -6.261 -0.859 8.324 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.573 -1.012 7.950 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.008 -4.160 7.618 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.536 -5.046 7.587 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.531 -2.157 7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.523 -3.917 7.752 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.632 0.618 2.422 1.00 0.00 N ATOM 1748 CA ILE A 111 -7.225 1.631 1.558 1.00 0.00 C ATOM 1749 C ILE A 111 -8.682 1.304 1.248 1.00 0.00 C ATOM 1750 O ILE A 111 -9.022 0.159 0.948 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.448 1.767 0.235 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.993 2.153 0.510 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -7.114 2.797 -0.666 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -4.137 2.209 -0.736 1.00 0.00 C ATOM 0 H ILE A 111 -6.639 -0.325 2.033 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.174 2.576 2.098 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.458 0.804 -0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.970 3.126 1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.560 1.435 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.554 2.882 -1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.135 2.484 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.131 3.764 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.119 2.489 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.129 1.231 -1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.545 2.948 -1.425 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.538 2.318 1.320 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.959 2.138 1.046 1.00 0.00 C ATOM 1768 C ARG A 112 -11.433 3.115 -0.026 1.00 0.00 C ATOM 1769 O ARG A 112 -11.173 4.315 0.053 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.775 2.333 2.325 1.00 0.00 C ATOM 1771 CG ARG A 112 -13.274 2.191 2.119 1.00 0.00 C ATOM 1772 CD ARG A 112 -14.021 2.185 3.443 1.00 0.00 C ATOM 1773 NE ARG A 112 -15.402 1.734 3.292 1.00 0.00 N ATOM 1774 CZ ARG A 112 -16.200 1.454 4.315 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -15.758 1.579 5.559 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -17.445 1.049 4.096 1.00 0.00 N ATOM 0 H ARG A 112 -9.273 3.272 1.565 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.108 1.122 0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.449 1.606 3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.565 3.322 2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.636 3.011 1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.482 1.268 1.579 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.503 1.535 4.148 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -14.012 3.189 3.868 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.774 1.628 2.348 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.802 1.891 5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.374 1.363 6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.789 0.953 3.141 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -18.057 0.834 4.883 1.00 0.00 H new ATOM 1790 N VAL A 113 -12.131 2.591 -1.029 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.642 3.415 -2.118 1.00 0.00 C ATOM 1792 C VAL A 113 -14.163 3.513 -2.065 1.00 0.00 C ATOM 1793 O VAL A 113 -14.855 2.511 -1.885 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.222 2.857 -3.490 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -12.836 3.680 -4.612 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.706 2.825 -3.610 1.00 0.00 C ATOM 0 H VAL A 113 -12.355 1.599 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.212 4.408 -1.992 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.593 1.836 -3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.528 3.271 -5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.923 3.647 -4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.498 4.713 -4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.427 2.428 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.311 3.835 -3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.292 2.189 -2.827 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.678 4.728 -2.224 1.00 0.00 N ATOM 1807 CA VAL A 114 -16.118 4.958 -2.197 1.00 0.00 C ATOM 1808 C VAL A 114 -16.611 5.516 -3.527 1.00 0.00 C ATOM 1809 O VAL A 114 -15.874 6.202 -4.235 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.510 5.930 -1.068 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -15.994 5.428 0.272 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.984 7.327 -1.363 1.00 0.00 C ATOM 0 H VAL A 114 -14.120 5.568 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.589 3.992 -2.015 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.598 5.980 -1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.280 6.127 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.424 4.449 0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.908 5.347 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -16.270 8.001 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.897 7.297 -1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -16.408 7.685 -2.301 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.862 5.216 -3.861 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.453 5.688 -5.108 1.00 0.00 C ATOM 1824 C GLU A 115 -18.935 7.130 -4.970 1.00 0.00 C ATOM 1825 O GLU A 115 -19.283 7.578 -3.878 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.619 4.786 -5.519 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.182 3.435 -6.059 1.00 0.00 C ATOM 1828 CD GLU A 115 -20.341 2.621 -6.600 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -21.246 3.216 -7.223 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -20.344 1.388 -6.401 1.00 0.00 O ATOM 0 H GLU A 115 -18.485 4.649 -3.286 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.685 5.652 -5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.268 4.631 -4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.212 5.296 -6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.447 3.584 -6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.687 2.874 -5.266 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.951 7.851 -6.086 1.00 0.00 N ATOM 1838 CA LYS A 116 -19.389 9.241 -6.093 1.00 0.00 C ATOM 1839 C LYS A 116 -20.905 9.334 -5.945 1.00 0.00 C ATOM 1840 O LYS A 116 -21.642 8.506 -6.479 1.00 0.00 O ATOM 1841 CB LYS A 116 -18.949 9.930 -7.386 1.00 0.00 C ATOM 1842 CG LYS A 116 -19.516 11.329 -7.553 1.00 0.00 C ATOM 1843 CD LYS A 116 -19.495 11.769 -9.008 1.00 0.00 C ATOM 1844 CE LYS A 116 -20.378 12.987 -9.234 1.00 0.00 C ATOM 1845 NZ LYS A 116 -21.825 12.645 -9.164 1.00 0.00 N ATOM 0 H LYS A 116 -18.665 7.495 -6.998 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.927 9.746 -5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -17.861 9.983 -7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -19.255 9.319 -8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -20.539 11.355 -7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -18.939 12.031 -6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -18.472 12.000 -9.305 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.834 10.950 -9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -20.148 13.746 -8.486 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -20.154 13.422 -10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -22.385 13.423 -9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -22.003 11.774 -9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -22.099 12.498 -8.172 1.00 0.00 H new