USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 625 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 29 THR OG1 : rot 96:sc= 1.11 USER MOD Set 1.2: A 43 TYR OH : rot 180:sc= -0.644 USER MOD Single : A 20 MET CE :methyl 172:sc= -0.717 (180deg=-0.891) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 165:sc=-0.00467 (180deg=-0.179) USER MOD Single : A 24 CYS SG : rot 141:sc= -1.37 USER MOD Single : A 32 CYS SG : rot 87:sc= 0.00647 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.74) USER MOD Single : A 45 ASN : amide:sc= -0.558 K(o=-0.56,f=-4.1!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 51 THR OG1 : rot -28:sc= 1.19 USER MOD Single : A 53 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.229) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.302 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 110:sc= -2.1 USER MOD Single : A 68 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 73 THR OG1 : rot -179:sc= -1.12 USER MOD Single : A 76 LYS NZ :NH3+ -126:sc= 0.295 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -179:sc= 1.09 (180deg=1.09) USER MOD Single : A 80 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.027) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= -1.31 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 260 N ARG A 17 -13.628 -1.990 0.306 1.00 0.00 N ATOM 261 CA ARG A 17 -12.603 -0.953 0.344 1.00 0.00 C ATOM 262 C ARG A 17 -12.126 -0.706 1.772 1.00 0.00 C ATOM 263 O ARG A 17 -10.980 -0.314 1.994 1.00 0.00 O ATOM 264 CB ARG A 17 -13.142 0.346 -0.258 1.00 0.00 C ATOM 265 CG ARG A 17 -12.093 1.146 -1.016 1.00 0.00 C ATOM 266 CD ARG A 17 -12.608 1.600 -2.374 1.00 0.00 C ATOM 267 NE ARG A 17 -12.738 0.488 -3.313 1.00 0.00 N ATOM 268 CZ ARG A 17 -13.886 -0.129 -3.590 1.00 0.00 C ATOM 269 NH1 ARG A 17 -15.017 0.247 -3.003 1.00 0.00 N ATOM 270 NH2 ARG A 17 -13.904 -1.129 -4.461 1.00 0.00 N ATOM 0 HA ARG A 17 -11.754 -1.296 -0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.965 0.110 -0.933 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.552 0.964 0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.802 2.016 -0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.198 0.538 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.577 2.084 -2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.929 2.346 -2.788 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.895 0.163 -3.787 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.013 1.016 -2.332 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.890 -0.233 -3.223 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.040 -1.424 -4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.781 -1.603 -4.675 1.00 0.00 H new ATOM 284 N GLU A 18 -13.011 -0.936 2.736 1.00 0.00 N ATOM 285 CA GLU A 18 -12.680 -0.735 4.142 1.00 0.00 C ATOM 286 C GLU A 18 -11.801 -1.869 4.663 1.00 0.00 C ATOM 287 O GLU A 18 -10.927 -1.654 5.504 1.00 0.00 O ATOM 288 CB GLU A 18 -13.957 -0.632 4.978 1.00 0.00 C ATOM 289 CG GLU A 18 -14.044 0.642 5.801 1.00 0.00 C ATOM 290 CD GLU A 18 -14.826 1.735 5.101 1.00 0.00 C ATOM 291 OE1 GLU A 18 -15.852 1.418 4.464 1.00 0.00 O ATOM 292 OE2 GLU A 18 -14.412 2.912 5.190 1.00 0.00 O ATOM 0 H GLU A 18 -13.963 -1.262 2.569 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.123 0.198 4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.821 -0.686 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.014 -1.491 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.515 0.420 6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.037 1.001 6.016 1.00 0.00 H new ATOM 299 N GLU A 19 -12.040 -3.076 4.162 1.00 0.00 N ATOM 300 CA GLU A 19 -11.270 -4.243 4.580 1.00 0.00 C ATOM 301 C GLU A 19 -9.937 -4.309 3.840 1.00 0.00 C ATOM 302 O GLU A 19 -8.948 -4.817 4.368 1.00 0.00 O ATOM 303 CB GLU A 19 -12.071 -5.522 4.331 1.00 0.00 C ATOM 304 CG GLU A 19 -12.887 -5.973 5.531 1.00 0.00 C ATOM 305 CD GLU A 19 -14.378 -5.801 5.323 1.00 0.00 C ATOM 306 OE1 GLU A 19 -14.951 -6.540 4.495 1.00 0.00 O ATOM 307 OE2 GLU A 19 -14.975 -4.928 5.988 1.00 0.00 O ATOM 0 H GLU A 19 -12.760 -3.272 3.467 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.067 -4.152 5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.741 -5.362 3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.385 -6.321 4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.672 -7.021 5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.579 -5.405 6.409 1.00 0.00 H new ATOM 314 N MET A 20 -9.919 -3.796 2.615 1.00 0.00 N ATOM 315 CA MET A 20 -8.709 -3.795 1.802 1.00 0.00 C ATOM 316 C MET A 20 -7.650 -2.874 2.400 1.00 0.00 C ATOM 317 O MET A 20 -6.474 -3.231 2.474 1.00 0.00 O ATOM 318 CB MET A 20 -9.034 -3.362 0.371 1.00 0.00 C ATOM 319 CG MET A 20 -9.869 -4.375 -0.396 1.00 0.00 C ATOM 320 SD MET A 20 -8.909 -5.291 -1.616 1.00 0.00 S ATOM 321 CE MET A 20 -7.551 -5.878 -0.606 1.00 0.00 C ATOM 0 H MET A 20 -10.730 -3.375 2.163 1.00 0.00 H new ATOM 0 HA MET A 20 -8.310 -4.809 1.786 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.567 -2.412 0.400 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.102 -3.189 -0.168 1.00 0.00 H new ATOM 0 HG2 MET A 20 -10.318 -5.076 0.308 1.00 0.00 H new ATOM 0 HG3 MET A 20 -10.688 -3.859 -0.898 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.946 -6.578 -1.182 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.935 -5.033 -0.298 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.945 -6.380 0.277 1.00 0.00 H new ATOM 331 N VAL A 21 -8.073 -1.687 2.824 1.00 0.00 N ATOM 332 CA VAL A 21 -7.158 -0.719 3.413 1.00 0.00 C ATOM 333 C VAL A 21 -6.627 -1.209 4.755 1.00 0.00 C ATOM 334 O VAL A 21 -5.429 -1.117 5.033 1.00 0.00 O ATOM 335 CB VAL A 21 -7.831 0.656 3.602 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.431 1.140 2.292 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.895 0.600 4.690 1.00 0.00 C ATOM 0 H VAL A 21 -9.042 -1.374 2.770 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.326 -0.609 2.718 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.066 1.366 3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.902 2.111 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.644 1.231 1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.178 0.425 1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.353 1.583 4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.659 -0.127 4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.436 0.304 5.633 1.00 0.00 H new ATOM 347 N LYS A 22 -7.524 -1.729 5.585 1.00 0.00 N ATOM 348 CA LYS A 22 -7.142 -2.232 6.897 1.00 0.00 C ATOM 349 C LYS A 22 -6.136 -3.369 6.770 1.00 0.00 C ATOM 350 O LYS A 22 -5.168 -3.448 7.529 1.00 0.00 O ATOM 351 CB LYS A 22 -8.376 -2.710 7.665 1.00 0.00 C ATOM 352 CG LYS A 22 -9.312 -1.584 8.075 1.00 0.00 C ATOM 353 CD LYS A 22 -8.695 -0.714 9.158 1.00 0.00 C ATOM 354 CE LYS A 22 -9.624 0.421 9.560 1.00 0.00 C ATOM 355 NZ LYS A 22 -10.072 0.297 10.975 1.00 0.00 N ATOM 0 H LYS A 22 -8.518 -1.813 5.373 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.675 -1.416 7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.925 -3.421 7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.053 -3.246 8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.549 -0.971 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.252 -2.003 8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.467 -1.325 10.031 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.750 -0.303 8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.113 1.374 9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.494 0.428 8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.703 1.089 11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.582 -0.601 11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.244 0.316 11.604 1.00 0.00 H new ATOM 369 N LYS A 23 -6.368 -4.250 5.800 1.00 0.00 N ATOM 370 CA LYS A 23 -5.480 -5.384 5.567 1.00 0.00 C ATOM 371 C LYS A 23 -4.055 -4.913 5.294 1.00 0.00 C ATOM 372 O LYS A 23 -3.091 -5.601 5.628 1.00 0.00 O ATOM 373 CB LYS A 23 -5.987 -6.219 4.389 1.00 0.00 C ATOM 374 CG LYS A 23 -6.982 -7.297 4.789 1.00 0.00 C ATOM 375 CD LYS A 23 -7.473 -8.076 3.578 1.00 0.00 C ATOM 376 CE LYS A 23 -6.372 -8.949 2.996 1.00 0.00 C ATOM 377 NZ LYS A 23 -6.009 -10.067 3.909 1.00 0.00 N ATOM 0 H LYS A 23 -7.163 -4.200 5.163 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.473 -6.000 6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.455 -5.557 3.660 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.136 -6.687 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.515 -7.980 5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.831 -6.840 5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.321 -8.699 3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.830 -7.382 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.698 -9.354 2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.490 -8.339 2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.453 -10.775 3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.445 -9.699 4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.875 -10.510 4.277 1.00 0.00 H new ATOM 391 N CYS A 24 -3.932 -3.736 4.691 1.00 0.00 N ATOM 392 CA CYS A 24 -2.624 -3.174 4.378 1.00 0.00 C ATOM 393 C CYS A 24 -1.894 -2.761 5.649 1.00 0.00 C ATOM 394 O CYS A 24 -0.670 -2.860 5.731 1.00 0.00 O ATOM 395 CB CYS A 24 -2.775 -1.974 3.436 1.00 0.00 C ATOM 396 SG CYS A 24 -1.253 -1.032 3.169 1.00 0.00 S ATOM 0 H CYS A 24 -4.721 -3.154 4.410 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.031 -3.941 3.879 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.141 -2.329 2.473 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.535 -1.305 3.840 1.00 0.00 H new ATOM 0 HG CYS A 24 -1.183 -0.665 1.924 1.00 0.00 H new ATOM 402 N LEU A 25 -2.647 -2.301 6.640 1.00 0.00 N ATOM 403 CA LEU A 25 -2.060 -1.881 7.905 1.00 0.00 C ATOM 404 C LEU A 25 -1.364 -3.053 8.589 1.00 0.00 C ATOM 405 O LEU A 25 -0.272 -2.905 9.140 1.00 0.00 O ATOM 406 CB LEU A 25 -3.133 -1.299 8.825 1.00 0.00 C ATOM 407 CG LEU A 25 -2.613 -0.310 9.870 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.500 0.923 9.930 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.523 -0.975 11.235 1.00 0.00 C ATOM 0 H LEU A 25 -3.662 -2.210 6.592 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.319 -1.109 7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.884 -0.799 8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.635 -2.119 9.339 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.612 0.006 9.576 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.113 1.614 10.679 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.509 1.412 8.956 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.515 0.629 10.198 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.151 -0.257 11.966 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.511 -1.321 11.537 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.842 -1.824 11.182 1.00 0.00 H new ATOM 421 N GLY A 26 -1.999 -4.220 8.546 1.00 0.00 N ATOM 422 CA GLY A 26 -1.426 -5.401 9.162 1.00 0.00 C ATOM 423 C GLY A 26 -0.341 -6.034 8.313 1.00 0.00 C ATOM 424 O GLY A 26 0.715 -6.412 8.821 1.00 0.00 O ATOM 0 H GLY A 26 -2.902 -4.368 8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.012 -5.134 10.134 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.215 -6.132 9.341 1.00 0.00 H new ATOM 428 N GLU A 27 -0.599 -6.154 7.015 1.00 0.00 N ATOM 429 CA GLU A 27 0.365 -6.747 6.094 1.00 0.00 C ATOM 430 C GLU A 27 1.677 -5.972 6.108 1.00 0.00 C ATOM 431 O GLU A 27 2.756 -6.555 6.233 1.00 0.00 O ATOM 432 CB GLU A 27 -0.206 -6.780 4.675 1.00 0.00 C ATOM 433 CG GLU A 27 -1.334 -7.784 4.495 1.00 0.00 C ATOM 434 CD GLU A 27 -0.828 -9.177 4.173 1.00 0.00 C ATOM 435 OE1 GLU A 27 -0.452 -9.904 5.116 1.00 0.00 O ATOM 436 OE2 GLU A 27 -0.809 -9.540 2.980 1.00 0.00 O ATOM 0 H GLU A 27 -1.468 -5.848 6.576 1.00 0.00 H new ATOM 0 HA GLU A 27 0.563 -7.768 6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.571 -5.786 4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.595 -7.017 3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.932 -7.820 5.405 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.992 -7.446 3.694 1.00 0.00 H new ATOM 443 N LEU A 28 1.579 -4.653 5.977 1.00 0.00 N ATOM 444 CA LEU A 28 2.759 -3.798 5.975 1.00 0.00 C ATOM 445 C LEU A 28 3.521 -3.918 7.290 1.00 0.00 C ATOM 446 O LEU A 28 4.742 -3.768 7.325 1.00 0.00 O ATOM 447 CB LEU A 28 2.366 -2.342 5.724 1.00 0.00 C ATOM 448 CG LEU A 28 2.230 -1.956 4.250 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.935 -0.471 4.112 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.493 -2.322 3.484 1.00 0.00 C ATOM 0 H LEU A 28 0.696 -4.154 5.871 1.00 0.00 H new ATOM 0 HA LEU A 28 3.413 -4.129 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.418 -2.145 6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.111 -1.695 6.187 1.00 0.00 H new ATOM 0 HG LEU A 28 1.395 -2.513 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.842 -0.215 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.003 -0.236 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.748 0.104 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.378 -2.040 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.344 -1.792 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.662 -3.396 3.554 1.00 0.00 H new ATOM 462 N THR A 29 2.798 -4.197 8.370 1.00 0.00 N ATOM 463 CA THR A 29 3.421 -4.345 9.679 1.00 0.00 C ATOM 464 C THR A 29 4.419 -5.497 9.664 1.00 0.00 C ATOM 465 O THR A 29 5.436 -5.461 10.356 1.00 0.00 O ATOM 466 CB THR A 29 2.359 -4.583 10.755 1.00 0.00 C ATOM 467 OG1 THR A 29 1.446 -3.502 10.807 1.00 0.00 O ATOM 468 CG2 THR A 29 2.941 -4.757 12.142 1.00 0.00 C ATOM 0 H THR A 29 1.786 -4.324 8.364 1.00 0.00 H new ATOM 0 HA THR A 29 3.953 -3.423 9.913 1.00 0.00 H new ATOM 0 HB THR A 29 1.860 -5.509 10.468 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.657 -3.714 10.266 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.135 -4.922 12.857 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.614 -5.615 12.149 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.494 -3.860 12.420 1.00 0.00 H new ATOM 476 N GLU A 30 4.121 -6.517 8.864 1.00 0.00 N ATOM 477 CA GLU A 30 4.993 -7.680 8.750 1.00 0.00 C ATOM 478 C GLU A 30 6.273 -7.322 8.001 1.00 0.00 C ATOM 479 O GLU A 30 7.373 -7.457 8.536 1.00 0.00 O ATOM 480 CB GLU A 30 4.267 -8.820 8.031 1.00 0.00 C ATOM 481 CG GLU A 30 3.052 -9.336 8.783 1.00 0.00 C ATOM 482 CD GLU A 30 2.717 -10.774 8.432 1.00 0.00 C ATOM 483 OE1 GLU A 30 3.427 -11.683 8.912 1.00 0.00 O ATOM 484 OE2 GLU A 30 1.745 -10.989 7.678 1.00 0.00 O ATOM 0 H GLU A 30 3.282 -6.561 8.285 1.00 0.00 H new ATOM 0 HA GLU A 30 5.259 -8.008 9.755 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.955 -8.476 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.964 -9.643 7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.233 -9.260 9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.194 -8.702 8.559 1.00 0.00 H new ATOM 491 N VAL A 31 6.122 -6.862 6.762 1.00 0.00 N ATOM 492 CA VAL A 31 7.268 -6.479 5.943 1.00 0.00 C ATOM 493 C VAL A 31 8.156 -5.481 6.678 1.00 0.00 C ATOM 494 O VAL A 31 9.383 -5.541 6.590 1.00 0.00 O ATOM 495 CB VAL A 31 6.822 -5.871 4.599 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.871 -4.715 4.835 1.00 0.00 C ATOM 497 CG2 VAL A 31 8.022 -5.426 3.775 1.00 0.00 C ATOM 0 H VAL A 31 5.218 -6.746 6.304 1.00 0.00 H new ATOM 0 HA VAL A 31 7.836 -7.388 5.745 1.00 0.00 H new ATOM 0 HB VAL A 31 6.298 -6.640 4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.564 -4.295 3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.993 -5.071 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.371 -3.947 5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.678 -5.001 2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.585 -4.674 4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.664 -6.284 3.574 1.00 0.00 H new ATOM 507 N CYS A 32 7.525 -4.565 7.407 1.00 0.00 N ATOM 508 CA CYS A 32 8.256 -3.557 8.164 1.00 0.00 C ATOM 509 C CYS A 32 9.163 -4.213 9.200 1.00 0.00 C ATOM 510 O CYS A 32 10.320 -3.825 9.363 1.00 0.00 O ATOM 511 CB CYS A 32 7.278 -2.605 8.855 1.00 0.00 C ATOM 512 SG CYS A 32 6.717 -1.238 7.813 1.00 0.00 S ATOM 0 H CYS A 32 6.510 -4.501 7.489 1.00 0.00 H new ATOM 0 HA CYS A 32 8.876 -2.990 7.470 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.410 -3.173 9.189 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.754 -2.197 9.746 1.00 0.00 H new ATOM 0 HG CYS A 32 5.686 -1.617 7.118 1.00 0.00 H new ATOM 518 N LYS A 33 8.633 -5.215 9.894 1.00 0.00 N ATOM 519 CA LYS A 33 9.394 -5.930 10.911 1.00 0.00 C ATOM 520 C LYS A 33 10.651 -6.553 10.311 1.00 0.00 C ATOM 521 O LYS A 33 11.761 -6.320 10.790 1.00 0.00 O ATOM 522 CB LYS A 33 8.534 -7.019 11.556 1.00 0.00 C ATOM 523 CG LYS A 33 7.230 -6.497 12.139 1.00 0.00 C ATOM 524 CD LYS A 33 7.141 -6.761 13.635 1.00 0.00 C ATOM 525 CE LYS A 33 6.295 -5.709 14.334 1.00 0.00 C ATOM 526 NZ LYS A 33 6.669 -5.562 15.768 1.00 0.00 N ATOM 0 H LYS A 33 7.678 -5.550 9.770 1.00 0.00 H new ATOM 0 HA LYS A 33 9.691 -5.212 11.675 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.310 -7.782 10.811 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.108 -7.503 12.346 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.150 -5.426 11.952 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.389 -6.972 11.634 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.712 -7.748 13.807 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.143 -6.769 14.065 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.414 -4.751 13.827 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.242 -5.981 14.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.070 -4.836 16.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.531 -6.469 16.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.667 -5.278 15.839 1.00 0.00 H new ATOM 540 N SER A 34 10.468 -7.344 9.258 1.00 0.00 N ATOM 541 CA SER A 34 11.587 -7.997 8.589 1.00 0.00 C ATOM 542 C SER A 34 12.613 -6.969 8.121 1.00 0.00 C ATOM 543 O SER A 34 13.810 -7.248 8.074 1.00 0.00 O ATOM 544 CB SER A 34 11.090 -8.817 7.397 1.00 0.00 C ATOM 545 OG SER A 34 10.815 -10.155 7.778 1.00 0.00 O ATOM 0 H SER A 34 9.556 -7.548 8.850 1.00 0.00 H new ATOM 0 HA SER A 34 12.066 -8.665 9.305 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.189 -8.360 6.987 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.840 -8.807 6.607 1.00 0.00 H new ATOM 0 HG SER A 34 10.497 -10.658 6.999 1.00 0.00 H new ATOM 551 N LEU A 35 12.131 -5.778 7.781 1.00 0.00 N ATOM 552 CA LEU A 35 13.001 -4.704 7.320 1.00 0.00 C ATOM 553 C LEU A 35 13.832 -4.140 8.470 1.00 0.00 C ATOM 554 O LEU A 35 14.876 -3.527 8.252 1.00 0.00 O ATOM 555 CB LEU A 35 12.171 -3.587 6.682 1.00 0.00 C ATOM 556 CG LEU A 35 11.678 -3.876 5.263 1.00 0.00 C ATOM 557 CD1 LEU A 35 10.890 -2.693 4.721 1.00 0.00 C ATOM 558 CD2 LEU A 35 12.850 -4.203 4.351 1.00 0.00 C ATOM 0 H LEU A 35 11.142 -5.533 7.816 1.00 0.00 H new ATOM 0 HA LEU A 35 13.680 -5.117 6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.307 -3.389 7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.769 -2.676 6.664 1.00 0.00 H new ATOM 0 HG LEU A 35 11.016 -4.741 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.547 -2.916 3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.029 -2.504 5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.528 -1.809 4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.483 -4.406 3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.536 -3.357 4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.373 -5.081 4.731 1.00 0.00 H new ATOM 570 N GLY A 36 13.361 -4.350 9.697 1.00 0.00 N ATOM 571 CA GLY A 36 14.074 -3.854 10.858 1.00 0.00 C ATOM 572 C GLY A 36 15.216 -4.761 11.274 1.00 0.00 C ATOM 573 O GLY A 36 16.270 -4.289 11.701 1.00 0.00 O ATOM 0 H GLY A 36 12.499 -4.854 9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.465 -2.860 10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.377 -3.749 11.690 1.00 0.00 H new ATOM 577 N LYS A 37 15.007 -6.068 11.152 1.00 0.00 N ATOM 578 CA LYS A 37 16.027 -7.044 11.522 1.00 0.00 C ATOM 579 C LYS A 37 17.153 -7.077 10.491 1.00 0.00 C ATOM 580 O LYS A 37 18.290 -7.421 10.813 1.00 0.00 O ATOM 581 CB LYS A 37 15.405 -8.434 11.658 1.00 0.00 C ATOM 582 CG LYS A 37 14.576 -8.852 10.453 1.00 0.00 C ATOM 583 CD LYS A 37 14.295 -10.346 10.462 1.00 0.00 C ATOM 584 CE LYS A 37 15.383 -11.122 9.738 1.00 0.00 C ATOM 585 NZ LYS A 37 15.050 -11.339 8.303 1.00 0.00 N ATOM 0 H LYS A 37 14.141 -6.476 10.800 1.00 0.00 H new ATOM 0 HA LYS A 37 16.448 -6.745 12.482 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.199 -9.164 11.813 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.775 -8.455 12.547 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.634 -8.303 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.103 -8.585 9.537 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.220 -10.697 11.491 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.332 -10.539 9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.326 -10.581 9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.528 -12.085 10.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.817 -11.872 7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.163 -11.877 8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.937 -10.420 7.830 1.00 0.00 H new ATOM 599 N VAL A 38 16.830 -6.724 9.251 1.00 0.00 N ATOM 600 CA VAL A 38 17.815 -6.719 8.177 1.00 0.00 C ATOM 601 C VAL A 38 18.592 -5.407 8.136 1.00 0.00 C ATOM 602 O VAL A 38 19.746 -5.373 7.710 1.00 0.00 O ATOM 603 CB VAL A 38 17.153 -6.953 6.807 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.534 -8.341 6.742 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.116 -5.880 6.530 1.00 0.00 C ATOM 0 H VAL A 38 15.893 -6.438 8.966 1.00 0.00 H new ATOM 0 HA VAL A 38 18.506 -7.536 8.385 1.00 0.00 H new ATOM 0 HB VAL A 38 17.920 -6.891 6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.071 -8.488 5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.309 -9.092 6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.778 -8.439 7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.657 -6.060 5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.349 -5.907 7.304 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.596 -4.901 6.529 1.00 0.00 H new ATOM 615 N PHE A 39 17.954 -4.328 8.577 1.00 0.00 N ATOM 616 CA PHE A 39 18.593 -3.016 8.585 1.00 0.00 C ATOM 617 C PHE A 39 18.940 -2.572 10.003 1.00 0.00 C ATOM 618 O PHE A 39 19.187 -1.390 10.248 1.00 0.00 O ATOM 619 CB PHE A 39 17.682 -1.981 7.921 1.00 0.00 C ATOM 620 CG PHE A 39 17.698 -2.049 6.419 1.00 0.00 C ATOM 621 CD1 PHE A 39 18.787 -1.578 5.703 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.625 -2.585 5.726 1.00 0.00 C ATOM 623 CE1 PHE A 39 18.806 -1.641 4.325 1.00 0.00 C ATOM 624 CE2 PHE A 39 16.639 -2.651 4.346 1.00 0.00 C ATOM 625 CZ PHE A 39 17.730 -2.178 3.644 1.00 0.00 C ATOM 0 H PHE A 39 16.998 -4.335 8.933 1.00 0.00 H new ATOM 0 HA PHE A 39 19.522 -3.095 8.020 1.00 0.00 H new ATOM 0 HB2 PHE A 39 16.661 -2.127 8.273 1.00 0.00 H new ATOM 0 HB3 PHE A 39 17.988 -0.983 8.236 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.630 -1.157 6.230 1.00 0.00 H new ATOM 0 HD2 PHE A 39 15.769 -2.955 6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.661 -1.271 3.779 1.00 0.00 H new ATOM 0 HE2 PHE A 39 15.797 -3.072 3.817 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.742 -2.228 2.565 1.00 0.00 H new ATOM 635 N GLY A 40 18.964 -3.522 10.934 1.00 0.00 N ATOM 636 CA GLY A 40 19.290 -3.205 12.314 1.00 0.00 C ATOM 637 C GLY A 40 18.491 -2.035 12.860 1.00 0.00 C ATOM 638 O GLY A 40 19.031 -1.185 13.568 1.00 0.00 O ATOM 0 H GLY A 40 18.763 -4.506 10.757 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.109 -4.082 12.935 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.353 -2.977 12.387 1.00 0.00 H new ATOM 642 N VAL A 41 17.204 -1.993 12.533 1.00 0.00 N ATOM 643 CA VAL A 41 16.334 -0.921 13.002 1.00 0.00 C ATOM 644 C VAL A 41 15.035 -1.479 13.572 1.00 0.00 C ATOM 645 O VAL A 41 14.621 -2.586 13.229 1.00 0.00 O ATOM 646 CB VAL A 41 16.006 0.078 11.874 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.214 0.949 11.566 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.538 -0.656 10.627 1.00 0.00 C ATOM 0 H VAL A 41 16.741 -2.687 11.946 1.00 0.00 H new ATOM 0 HA VAL A 41 16.876 -0.396 13.788 1.00 0.00 H new ATOM 0 HB VAL A 41 15.196 0.724 12.211 1.00 0.00 H new ATOM 0 HG11 VAL A 41 16.965 1.648 10.768 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.499 1.505 12.459 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.046 0.319 11.250 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.312 0.067 9.843 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.324 -1.329 10.284 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.642 -1.232 10.859 1.00 0.00 H new ATOM 658 N HIS A 42 14.402 -0.711 14.451 1.00 0.00 N ATOM 659 CA HIS A 42 13.154 -1.135 15.077 1.00 0.00 C ATOM 660 C HIS A 42 11.981 -1.025 14.106 1.00 0.00 C ATOM 661 O HIS A 42 12.064 -0.335 13.090 1.00 0.00 O ATOM 662 CB HIS A 42 12.876 -0.298 16.329 1.00 0.00 C ATOM 663 CG HIS A 42 12.612 -1.120 17.552 1.00 0.00 C ATOM 664 ND1 HIS A 42 12.230 -2.445 17.503 1.00 0.00 N ATOM 665 CD2 HIS A 42 12.681 -0.800 18.867 1.00 0.00 C ATOM 666 CE1 HIS A 42 12.074 -2.902 18.733 1.00 0.00 C ATOM 667 NE2 HIS A 42 12.341 -1.925 19.577 1.00 0.00 N ATOM 0 H HIS A 42 14.732 0.208 14.747 1.00 0.00 H new ATOM 0 HA HIS A 42 13.263 -2.181 15.362 1.00 0.00 H new ATOM 0 HB2 HIS A 42 13.729 0.354 16.517 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.017 0.346 16.142 1.00 0.00 H new ATOM 0 HD2 HIS A 42 12.953 0.160 19.279 1.00 0.00 H new ATOM 0 HE1 HIS A 42 11.778 -3.905 19.001 1.00 0.00 H new ATOM 0 HE2 HIS A 42 12.301 -1.994 20.594 1.00 0.00 H new ATOM 676 N TYR A 43 10.890 -1.712 14.430 1.00 0.00 N ATOM 677 CA TYR A 43 9.692 -1.699 13.596 1.00 0.00 C ATOM 678 C TYR A 43 9.194 -0.271 13.385 1.00 0.00 C ATOM 679 O TYR A 43 8.900 0.136 12.260 1.00 0.00 O ATOM 680 CB TYR A 43 8.599 -2.559 14.242 1.00 0.00 C ATOM 681 CG TYR A 43 7.214 -2.339 13.669 1.00 0.00 C ATOM 682 CD1 TYR A 43 6.976 -2.458 12.306 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.146 -2.010 14.494 1.00 0.00 C ATOM 684 CE1 TYR A 43 5.713 -2.257 11.782 1.00 0.00 C ATOM 685 CE2 TYR A 43 4.880 -1.809 13.979 1.00 0.00 C ATOM 686 CZ TYR A 43 4.669 -1.933 12.622 1.00 0.00 C ATOM 687 OH TYR A 43 3.411 -1.733 12.104 1.00 0.00 O ATOM 0 H TYR A 43 10.811 -2.288 15.268 1.00 0.00 H new ATOM 0 HA TYR A 43 9.941 -2.116 12.620 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.864 -3.610 14.127 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.574 -2.351 15.312 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.791 -2.712 11.645 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.308 -1.910 15.557 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.545 -2.353 10.720 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.060 -1.556 14.635 1.00 0.00 H new ATOM 0 HH TYR A 43 2.790 -1.513 12.829 1.00 0.00 H new ATOM 697 N PHE A 44 9.099 0.484 14.474 1.00 0.00 N ATOM 698 CA PHE A 44 8.636 1.866 14.410 1.00 0.00 C ATOM 699 C PHE A 44 9.608 2.740 13.617 1.00 0.00 C ATOM 700 O PHE A 44 9.249 3.826 13.166 1.00 0.00 O ATOM 701 CB PHE A 44 8.460 2.429 15.823 1.00 0.00 C ATOM 702 CG PHE A 44 7.051 2.845 16.133 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.403 3.786 15.349 1.00 0.00 C ATOM 704 CD2 PHE A 44 6.375 2.295 17.211 1.00 0.00 C ATOM 705 CE1 PHE A 44 5.107 4.170 15.633 1.00 0.00 C ATOM 706 CE2 PHE A 44 5.078 2.676 17.500 1.00 0.00 C ATOM 707 CZ PHE A 44 4.443 3.614 16.710 1.00 0.00 C ATOM 0 H PHE A 44 9.337 0.162 15.412 1.00 0.00 H new ATOM 0 HA PHE A 44 7.675 1.875 13.896 1.00 0.00 H new ATOM 0 HB2 PHE A 44 8.776 1.677 16.547 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.119 3.288 15.948 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.917 4.224 14.506 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.867 1.561 17.832 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.613 4.904 15.014 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.562 2.241 18.343 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.429 3.913 16.933 1.00 0.00 H new ATOM 717 N ASN A 45 10.839 2.261 13.457 1.00 0.00 N ATOM 718 CA ASN A 45 11.857 3.005 12.725 1.00 0.00 C ATOM 719 C ASN A 45 11.575 3.000 11.225 1.00 0.00 C ATOM 720 O ASN A 45 11.922 3.946 10.517 1.00 0.00 O ATOM 721 CB ASN A 45 13.241 2.415 12.997 1.00 0.00 C ATOM 722 CG ASN A 45 14.353 3.423 12.775 1.00 0.00 C ATOM 723 OD1 ASN A 45 15.295 3.170 12.025 1.00 0.00 O ATOM 724 ND2 ASN A 45 14.247 4.574 13.430 1.00 0.00 N ATOM 0 H ASN A 45 11.154 1.363 13.824 1.00 0.00 H new ATOM 0 HA ASN A 45 11.831 4.038 13.073 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.283 2.052 14.024 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.400 1.554 12.348 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.964 5.291 13.321 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.448 4.741 14.042 1.00 0.00 H new ATOM 731 N ILE A 46 10.947 1.932 10.744 1.00 0.00 N ATOM 732 CA ILE A 46 10.625 1.812 9.326 1.00 0.00 C ATOM 733 C ILE A 46 9.583 2.845 8.909 1.00 0.00 C ATOM 734 O ILE A 46 9.877 3.760 8.139 1.00 0.00 O ATOM 735 CB ILE A 46 10.100 0.405 8.981 1.00 0.00 C ATOM 736 CG1 ILE A 46 11.023 -0.667 9.562 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.975 0.244 7.473 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.457 -0.550 9.094 1.00 0.00 C ATOM 0 H ILE A 46 10.651 1.139 11.313 1.00 0.00 H new ATOM 0 HA ILE A 46 11.551 1.989 8.779 1.00 0.00 H new ATOM 0 HB ILE A 46 9.112 0.283 9.425 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.998 -0.605 10.650 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.640 -1.651 9.290 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.603 -0.755 7.243 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.280 0.988 7.084 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.952 0.383 7.010 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.053 -1.343 9.546 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.494 -0.642 8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.858 0.419 9.390 1.00 0.00 H new ATOM 750 N PHE A 47 8.367 2.693 9.422 1.00 0.00 N ATOM 751 CA PHE A 47 7.282 3.614 9.100 1.00 0.00 C ATOM 752 C PHE A 47 6.463 3.949 10.342 1.00 0.00 C ATOM 753 O PHE A 47 6.347 3.137 11.260 1.00 0.00 O ATOM 754 CB PHE A 47 6.370 3.013 8.026 1.00 0.00 C ATOM 755 CG PHE A 47 6.942 3.053 6.632 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.886 4.006 6.269 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.527 2.135 5.680 1.00 0.00 C ATOM 758 CE1 PHE A 47 8.401 4.037 4.987 1.00 0.00 C ATOM 759 CE2 PHE A 47 7.039 2.164 4.397 1.00 0.00 C ATOM 760 CZ PHE A 47 7.978 3.116 4.051 1.00 0.00 C ATOM 0 H PHE A 47 8.108 1.942 10.062 1.00 0.00 H new ATOM 0 HA PHE A 47 7.727 4.533 8.718 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.154 1.977 8.288 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.420 3.548 8.032 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.221 4.730 6.997 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.794 1.387 5.945 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.135 4.782 4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.705 1.443 3.665 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.381 3.139 3.049 1.00 0.00 H new ATOM 770 N ASN A 48 5.897 5.151 10.362 1.00 0.00 N ATOM 771 CA ASN A 48 5.085 5.598 11.488 1.00 0.00 C ATOM 772 C ASN A 48 3.613 5.274 11.258 1.00 0.00 C ATOM 773 O ASN A 48 3.206 4.958 10.139 1.00 0.00 O ATOM 774 CB ASN A 48 5.260 7.103 11.705 1.00 0.00 C ATOM 775 CG ASN A 48 6.613 7.448 12.296 1.00 0.00 C ATOM 776 OD1 ASN A 48 6.822 7.334 13.504 1.00 0.00 O ATOM 777 ND2 ASN A 48 7.540 7.873 11.446 1.00 0.00 N ATOM 0 H ASN A 48 5.986 5.834 9.610 1.00 0.00 H new ATOM 0 HA ASN A 48 5.421 5.068 12.379 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.139 7.621 10.754 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.474 7.466 12.367 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.469 8.120 11.786 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.323 7.952 10.452 1.00 0.00 H new ATOM 784 N THR A 49 2.820 5.353 12.321 1.00 0.00 N ATOM 785 CA THR A 49 1.390 5.066 12.236 1.00 0.00 C ATOM 786 C THR A 49 0.737 5.858 11.106 1.00 0.00 C ATOM 787 O THR A 49 -0.152 5.358 10.419 1.00 0.00 O ATOM 788 CB THR A 49 0.705 5.391 13.564 1.00 0.00 C ATOM 789 OG1 THR A 49 1.517 4.998 14.656 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.639 4.713 13.725 1.00 0.00 C ATOM 0 H THR A 49 3.142 5.614 13.253 1.00 0.00 H new ATOM 0 HA THR A 49 1.272 4.004 12.023 1.00 0.00 H new ATOM 0 HB THR A 49 0.551 6.470 13.554 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.063 5.216 15.497 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.071 4.985 14.688 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.306 5.033 12.925 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.509 3.632 13.679 1.00 0.00 H new ATOM 798 N VAL A 50 1.185 7.096 10.922 1.00 0.00 N ATOM 799 CA VAL A 50 0.643 7.957 9.875 1.00 0.00 C ATOM 800 C VAL A 50 0.994 7.429 8.487 1.00 0.00 C ATOM 801 O VAL A 50 0.278 7.681 7.518 1.00 0.00 O ATOM 802 CB VAL A 50 1.162 9.399 10.003 1.00 0.00 C ATOM 803 CG1 VAL A 50 0.452 10.125 11.136 1.00 0.00 C ATOM 804 CG2 VAL A 50 2.663 9.406 10.215 1.00 0.00 C ATOM 0 H VAL A 50 1.921 7.525 11.483 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.440 7.955 10.001 1.00 0.00 H new ATOM 0 HB VAL A 50 0.946 9.927 9.074 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.833 11.144 11.211 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.619 10.152 10.936 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.633 9.600 12.074 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.013 10.434 10.303 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.904 8.861 11.128 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.153 8.928 9.367 1.00 0.00 H new ATOM 814 N THR A 51 2.099 6.696 8.399 1.00 0.00 N ATOM 815 CA THR A 51 2.547 6.136 7.131 1.00 0.00 C ATOM 816 C THR A 51 1.679 4.949 6.719 1.00 0.00 C ATOM 817 O THR A 51 1.111 4.932 5.626 1.00 0.00 O ATOM 818 CB THR A 51 4.010 5.702 7.235 1.00 0.00 C ATOM 819 OG1 THR A 51 4.845 6.816 7.490 1.00 0.00 O ATOM 820 CG2 THR A 51 4.529 5.019 5.987 1.00 0.00 C ATOM 0 H THR A 51 2.701 6.476 9.193 1.00 0.00 H new ATOM 0 HA THR A 51 2.455 6.909 6.368 1.00 0.00 H new ATOM 0 HB THR A 51 4.037 4.987 8.057 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.438 7.623 7.111 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.572 4.739 6.133 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.938 4.125 5.789 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.451 5.701 5.140 1.00 0.00 H new ATOM 828 N LEU A 52 1.585 3.957 7.598 1.00 0.00 N ATOM 829 CA LEU A 52 0.792 2.762 7.326 1.00 0.00 C ATOM 830 C LEU A 52 -0.655 3.121 7.001 1.00 0.00 C ATOM 831 O LEU A 52 -1.222 2.625 6.029 1.00 0.00 O ATOM 832 CB LEU A 52 0.836 1.811 8.522 1.00 0.00 C ATOM 833 CG LEU A 52 2.223 1.257 8.857 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.290 0.837 10.317 1.00 0.00 C ATOM 835 CD2 LEU A 52 2.559 0.085 7.946 1.00 0.00 C ATOM 0 H LEU A 52 2.049 3.956 8.507 1.00 0.00 H new ATOM 0 HA LEU A 52 1.225 2.266 6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.449 2.333 9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.165 0.975 8.327 1.00 0.00 H new ATOM 0 HG LEU A 52 2.960 2.043 8.693 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.283 0.446 10.538 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.090 1.699 10.953 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.545 0.065 10.508 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.548 -0.298 8.196 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.819 -0.704 8.081 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.550 0.417 6.908 1.00 0.00 H new ATOM 847 N LYS A 53 -1.248 3.982 7.820 1.00 0.00 N ATOM 848 CA LYS A 53 -2.630 4.401 7.613 1.00 0.00 C ATOM 849 C LYS A 53 -2.806 5.021 6.230 1.00 0.00 C ATOM 850 O LYS A 53 -3.848 4.861 5.595 1.00 0.00 O ATOM 851 CB LYS A 53 -3.055 5.397 8.693 1.00 0.00 C ATOM 852 CG LYS A 53 -2.302 6.716 8.635 1.00 0.00 C ATOM 853 CD LYS A 53 -2.893 7.736 9.592 1.00 0.00 C ATOM 854 CE LYS A 53 -2.707 7.314 11.041 1.00 0.00 C ATOM 855 NZ LYS A 53 -3.924 6.652 11.588 1.00 0.00 N ATOM 0 H LYS A 53 -0.795 4.403 8.631 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.265 3.518 7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.123 5.593 8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.903 4.944 9.673 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.253 6.549 8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.332 7.109 7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.420 8.705 9.431 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.955 7.861 9.382 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.859 6.633 11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.467 8.188 11.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.643 5.891 12.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.498 7.351 12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.482 6.251 10.807 1.00 0.00 H new ATOM 869 N LYS A 54 -1.778 5.726 5.769 1.00 0.00 N ATOM 870 CA LYS A 54 -1.816 6.367 4.461 1.00 0.00 C ATOM 871 C LYS A 54 -1.831 5.321 3.349 1.00 0.00 C ATOM 872 O LYS A 54 -2.761 5.269 2.545 1.00 0.00 O ATOM 873 CB LYS A 54 -0.615 7.301 4.292 1.00 0.00 C ATOM 874 CG LYS A 54 -0.994 8.772 4.226 1.00 0.00 C ATOM 875 CD LYS A 54 -1.235 9.348 5.613 1.00 0.00 C ATOM 876 CE LYS A 54 -2.411 10.311 5.621 1.00 0.00 C ATOM 877 NZ LYS A 54 -3.349 10.034 6.744 1.00 0.00 N ATOM 0 H LYS A 54 -0.908 5.868 6.283 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.731 6.955 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.073 7.148 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.080 7.031 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.200 9.332 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.892 8.891 3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.423 8.537 6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.338 9.865 5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.042 11.334 5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.946 10.238 4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.137 10.712 6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.721 9.067 6.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.845 10.129 7.649 1.00 0.00 H new ATOM 891 N LEU A 55 -0.796 4.485 3.315 1.00 0.00 N ATOM 892 CA LEU A 55 -0.694 3.436 2.308 1.00 0.00 C ATOM 893 C LEU A 55 -1.891 2.489 2.361 1.00 0.00 C ATOM 894 O LEU A 55 -2.181 1.790 1.390 1.00 0.00 O ATOM 895 CB LEU A 55 0.604 2.645 2.486 1.00 0.00 C ATOM 896 CG LEU A 55 1.814 3.224 1.747 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.648 4.115 2.656 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.668 2.107 1.167 1.00 0.00 C ATOM 0 H LEU A 55 -0.017 4.515 3.973 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.687 3.920 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.837 2.591 3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.441 1.623 2.143 1.00 0.00 H new ATOM 0 HG LEU A 55 1.440 3.841 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.498 4.509 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.036 4.942 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.008 3.533 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.523 2.536 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.020 1.463 1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.073 1.520 0.467 1.00 0.00 H new ATOM 910 N ALA A 56 -2.583 2.469 3.495 1.00 0.00 N ATOM 911 CA ALA A 56 -3.743 1.605 3.659 1.00 0.00 C ATOM 912 C ALA A 56 -4.973 2.200 2.980 1.00 0.00 C ATOM 913 O ALA A 56 -5.650 1.529 2.201 1.00 0.00 O ATOM 914 CB ALA A 56 -4.018 1.363 5.136 1.00 0.00 C ATOM 0 H ALA A 56 -2.361 3.040 4.311 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.523 0.650 3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.888 0.715 5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.152 0.885 5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.211 2.315 5.631 1.00 0.00 H new ATOM 920 N GLU A 57 -5.260 3.463 3.281 1.00 0.00 N ATOM 921 CA GLU A 57 -6.413 4.144 2.701 1.00 0.00 C ATOM 922 C GLU A 57 -6.381 4.076 1.176 1.00 0.00 C ATOM 923 O GLU A 57 -7.383 3.751 0.538 1.00 0.00 O ATOM 924 CB GLU A 57 -6.450 5.605 3.154 1.00 0.00 C ATOM 925 CG GLU A 57 -6.305 5.782 4.656 1.00 0.00 C ATOM 926 CD GLU A 57 -7.449 6.571 5.266 1.00 0.00 C ATOM 927 OE1 GLU A 57 -7.663 7.725 4.845 1.00 0.00 O ATOM 928 OE2 GLU A 57 -8.128 6.032 6.164 1.00 0.00 O ATOM 0 H GLU A 57 -4.711 4.035 3.922 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.313 3.637 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.651 6.152 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.391 6.052 2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.252 4.802 5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.364 6.290 4.869 1.00 0.00 H new ATOM 935 N SER A 58 -5.223 4.385 0.599 1.00 0.00 N ATOM 936 CA SER A 58 -5.061 4.358 -0.850 1.00 0.00 C ATOM 937 C SER A 58 -5.056 2.925 -1.371 1.00 0.00 C ATOM 938 O SER A 58 -5.769 2.594 -2.320 1.00 0.00 O ATOM 939 CB SER A 58 -3.766 5.066 -1.253 1.00 0.00 C ATOM 940 OG SER A 58 -2.637 4.253 -0.980 1.00 0.00 O ATOM 0 H SER A 58 -4.385 4.657 1.113 1.00 0.00 H new ATOM 0 HA SER A 58 -5.906 4.883 -1.295 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.795 5.309 -2.315 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.679 6.009 -0.713 1.00 0.00 H new ATOM 0 HG SER A 58 -1.821 4.726 -1.247 1.00 0.00 H new ATOM 946 N LEU A 59 -4.246 2.077 -0.745 1.00 0.00 N ATOM 947 CA LEU A 59 -4.146 0.678 -1.142 1.00 0.00 C ATOM 948 C LEU A 59 -3.572 0.552 -2.554 1.00 0.00 C ATOM 949 O LEU A 59 -4.135 -0.131 -3.409 1.00 0.00 O ATOM 950 CB LEU A 59 -5.525 0.001 -1.057 1.00 0.00 C ATOM 951 CG LEU A 59 -5.712 -1.037 0.067 1.00 0.00 C ATOM 952 CD1 LEU A 59 -5.847 -2.434 -0.513 1.00 0.00 C ATOM 953 CD2 LEU A 59 -4.567 -0.998 1.072 1.00 0.00 C ATOM 0 H LEU A 59 -3.649 2.335 0.040 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.466 0.174 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.280 0.778 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.724 -0.488 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.629 -0.778 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.978 -3.153 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.712 -2.471 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.948 -2.682 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.738 -1.745 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.628 -1.213 0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.515 -0.009 1.526 1.00 0.00 H new ATOM 965 N SER A 60 -2.443 1.215 -2.786 1.00 0.00 N ATOM 966 CA SER A 60 -1.787 1.177 -4.089 1.00 0.00 C ATOM 967 C SER A 60 -0.273 1.068 -3.928 1.00 0.00 C ATOM 968 O SER A 60 0.300 1.609 -2.982 1.00 0.00 O ATOM 969 CB SER A 60 -2.136 2.429 -4.895 1.00 0.00 C ATOM 970 OG SER A 60 -3.464 2.849 -4.636 1.00 0.00 O ATOM 0 H SER A 60 -1.963 1.785 -2.089 1.00 0.00 H new ATOM 0 HA SER A 60 -2.144 0.298 -4.625 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.442 3.232 -4.645 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.017 2.225 -5.959 1.00 0.00 H new ATOM 0 HG SER A 60 -3.662 3.652 -5.162 1.00 0.00 H new ATOM 976 N SER A 61 0.369 0.362 -4.854 1.00 0.00 N ATOM 977 CA SER A 61 1.817 0.185 -4.808 1.00 0.00 C ATOM 978 C SER A 61 2.515 1.151 -5.762 1.00 0.00 C ATOM 979 O SER A 61 2.828 0.799 -6.899 1.00 0.00 O ATOM 980 CB SER A 61 2.185 -1.258 -5.163 1.00 0.00 C ATOM 981 OG SER A 61 1.213 -1.835 -6.018 1.00 0.00 O ATOM 0 H SER A 61 -0.088 -0.095 -5.643 1.00 0.00 H new ATOM 0 HA SER A 61 2.153 0.400 -3.794 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.160 -1.279 -5.649 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.270 -1.850 -4.252 1.00 0.00 H new ATOM 0 HG SER A 61 1.594 -1.954 -6.913 1.00 0.00 H new ATOM 987 N ASP A 62 2.757 2.368 -5.286 1.00 0.00 N ATOM 988 CA ASP A 62 3.419 3.390 -6.089 1.00 0.00 C ATOM 989 C ASP A 62 4.645 3.943 -5.364 1.00 0.00 C ATOM 990 O ASP A 62 4.734 3.865 -4.142 1.00 0.00 O ATOM 991 CB ASP A 62 2.446 4.524 -6.412 1.00 0.00 C ATOM 992 CG ASP A 62 1.771 4.340 -7.758 1.00 0.00 C ATOM 993 OD1 ASP A 62 2.398 3.742 -8.659 1.00 0.00 O ATOM 994 OD2 ASP A 62 0.619 4.794 -7.911 1.00 0.00 O ATOM 0 H ASP A 62 2.504 2.671 -4.346 1.00 0.00 H new ATOM 0 HA ASP A 62 3.748 2.929 -7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.686 4.581 -5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.982 5.473 -6.404 1.00 0.00 H new ATOM 999 N PRO A 63 5.612 4.510 -6.105 1.00 0.00 N ATOM 1000 CA PRO A 63 6.823 5.072 -5.529 1.00 0.00 C ATOM 1001 C PRO A 63 6.643 6.532 -5.114 1.00 0.00 C ATOM 1002 O PRO A 63 6.809 6.879 -3.944 1.00 0.00 O ATOM 1003 CB PRO A 63 7.849 4.962 -6.666 1.00 0.00 C ATOM 1004 CG PRO A 63 7.077 4.598 -7.905 1.00 0.00 C ATOM 1005 CD PRO A 63 5.611 4.648 -7.560 1.00 0.00 C ATOM 0 HA PRO A 63 7.120 4.550 -4.620 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.379 5.904 -6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.599 4.204 -6.440 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.304 5.292 -8.715 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.355 3.602 -8.251 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.153 5.585 -7.876 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.055 3.843 -8.042 1.00 0.00 H new ATOM 1013 N GLU A 64 6.306 7.379 -6.080 1.00 0.00 N ATOM 1014 CA GLU A 64 6.105 8.801 -5.819 1.00 0.00 C ATOM 1015 C GLU A 64 4.970 9.022 -4.823 1.00 0.00 C ATOM 1016 O GLU A 64 5.109 9.787 -3.868 1.00 0.00 O ATOM 1017 CB GLU A 64 5.805 9.542 -7.122 1.00 0.00 C ATOM 1018 CG GLU A 64 4.590 9.003 -7.862 1.00 0.00 C ATOM 1019 CD GLU A 64 4.557 9.427 -9.317 1.00 0.00 C ATOM 1020 OE1 GLU A 64 5.167 8.729 -10.154 1.00 0.00 O ATOM 1021 OE2 GLU A 64 3.922 10.459 -9.620 1.00 0.00 O ATOM 0 H GLU A 64 6.166 7.106 -7.053 1.00 0.00 H new ATOM 0 HA GLU A 64 7.024 9.196 -5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.647 10.598 -6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.675 9.479 -7.775 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.588 7.915 -7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.684 9.350 -7.366 1.00 0.00 H new ATOM 1028 N VAL A 65 3.847 8.345 -5.049 1.00 0.00 N ATOM 1029 CA VAL A 65 2.687 8.465 -4.169 1.00 0.00 C ATOM 1030 C VAL A 65 3.076 8.218 -2.714 1.00 0.00 C ATOM 1031 O VAL A 65 2.425 8.712 -1.793 1.00 0.00 O ATOM 1032 CB VAL A 65 1.578 7.466 -4.555 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.333 7.694 -3.711 1.00 0.00 C ATOM 1034 CG2 VAL A 65 1.249 7.574 -6.038 1.00 0.00 C ATOM 0 H VAL A 65 3.715 7.707 -5.834 1.00 0.00 H new ATOM 0 HA VAL A 65 2.311 9.482 -4.284 1.00 0.00 H new ATOM 0 HB VAL A 65 1.944 6.458 -4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.438 6.979 -3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.578 7.559 -2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.034 8.708 -3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.464 6.861 -6.289 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.906 8.584 -6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.141 7.355 -6.625 1.00 0.00 H new ATOM 1044 N LEU A 66 4.133 7.442 -2.521 1.00 0.00 N ATOM 1045 CA LEU A 66 4.608 7.111 -1.187 1.00 0.00 C ATOM 1046 C LEU A 66 5.587 8.162 -0.663 1.00 0.00 C ATOM 1047 O LEU A 66 5.837 8.240 0.539 1.00 0.00 O ATOM 1048 CB LEU A 66 5.266 5.733 -1.205 1.00 0.00 C ATOM 1049 CG LEU A 66 4.312 4.582 -1.518 1.00 0.00 C ATOM 1050 CD1 LEU A 66 5.039 3.247 -1.493 1.00 0.00 C ATOM 1051 CD2 LEU A 66 3.159 4.576 -0.534 1.00 0.00 C ATOM 0 H LEU A 66 4.680 7.028 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 66 3.752 7.096 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.067 5.736 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.728 5.552 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 66 3.917 4.730 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.336 2.445 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.835 3.252 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.468 3.085 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.486 3.751 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.545 4.454 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.616 5.518 -0.604 1.00 0.00 H new ATOM 1063 N LEU A 67 6.133 8.968 -1.567 1.00 0.00 N ATOM 1064 CA LEU A 67 7.077 10.012 -1.185 1.00 0.00 C ATOM 1065 C LEU A 67 6.366 11.150 -0.459 1.00 0.00 C ATOM 1066 O LEU A 67 6.905 11.732 0.483 1.00 0.00 O ATOM 1067 CB LEU A 67 7.799 10.551 -2.420 1.00 0.00 C ATOM 1068 CG LEU A 67 9.174 11.166 -2.152 1.00 0.00 C ATOM 1069 CD1 LEU A 67 9.072 12.264 -1.104 1.00 0.00 C ATOM 1070 CD2 LEU A 67 10.160 10.094 -1.712 1.00 0.00 C ATOM 0 H LEU A 67 5.939 8.919 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 67 7.809 9.575 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.915 9.738 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.167 11.304 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 67 9.540 11.610 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.059 12.690 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.399 13.044 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.685 11.845 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.133 10.549 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.800 9.621 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.255 9.343 -2.496 1.00 0.00 H new ATOM 1082 N GLN A 68 5.154 11.463 -0.906 1.00 0.00 N ATOM 1083 CA GLN A 68 4.368 12.534 -0.301 1.00 0.00 C ATOM 1084 C GLN A 68 3.772 12.107 1.041 1.00 0.00 C ATOM 1085 O GLN A 68 3.222 12.930 1.772 1.00 0.00 O ATOM 1086 CB GLN A 68 3.248 12.966 -1.251 1.00 0.00 C ATOM 1087 CG GLN A 68 3.752 13.571 -2.550 1.00 0.00 C ATOM 1088 CD GLN A 68 3.626 15.082 -2.576 1.00 0.00 C ATOM 1089 OE1 GLN A 68 3.130 15.659 -3.544 1.00 0.00 O ATOM 1090 NE2 GLN A 68 4.075 15.733 -1.508 1.00 0.00 N ATOM 0 H GLN A 68 4.694 10.991 -1.685 1.00 0.00 H new ATOM 0 HA GLN A 68 5.038 13.374 -0.120 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.624 12.102 -1.480 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.613 13.692 -0.744 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.796 13.294 -2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.192 13.149 -3.385 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.479 15.215 -0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.016 16.751 -1.469 1.00 0.00 H new ATOM 1099 N ILE A 69 3.881 10.820 1.362 1.00 0.00 N ATOM 1100 CA ILE A 69 3.348 10.300 2.617 1.00 0.00 C ATOM 1101 C ILE A 69 4.131 10.836 3.812 1.00 0.00 C ATOM 1102 O ILE A 69 5.313 11.161 3.698 1.00 0.00 O ATOM 1103 CB ILE A 69 3.377 8.759 2.644 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.711 8.196 1.386 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.689 8.232 3.895 1.00 0.00 C ATOM 1106 CD1 ILE A 69 1.229 8.488 1.301 1.00 0.00 C ATOM 0 H ILE A 69 4.332 10.121 0.772 1.00 0.00 H new ATOM 0 HA ILE A 69 2.314 10.637 2.685 1.00 0.00 H new ATOM 0 HB ILE A 69 4.416 8.431 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.205 8.611 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.862 7.117 1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.720 7.142 3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.202 8.610 4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.651 8.566 3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.826 8.059 0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.722 8.050 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.070 9.566 1.297 1.00 0.00 H new ATOM 1118 N ASP A 70 3.463 10.927 4.956 1.00 0.00 N ATOM 1119 CA ASP A 70 4.091 11.426 6.173 1.00 0.00 C ATOM 1120 C ASP A 70 5.087 10.414 6.731 1.00 0.00 C ATOM 1121 O ASP A 70 4.727 9.276 7.034 1.00 0.00 O ATOM 1122 CB ASP A 70 3.029 11.745 7.227 1.00 0.00 C ATOM 1123 CG ASP A 70 1.928 12.636 6.687 1.00 0.00 C ATOM 1124 OD1 ASP A 70 2.249 13.705 6.130 1.00 0.00 O ATOM 1125 OD2 ASP A 70 0.743 12.263 6.821 1.00 0.00 O ATOM 0 H ASP A 70 2.484 10.661 5.066 1.00 0.00 H new ATOM 0 HA ASP A 70 4.632 12.339 5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.593 10.815 7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.502 12.233 8.079 1.00 0.00 H new ATOM 1130 N GLY A 71 6.340 10.837 6.865 1.00 0.00 N ATOM 1131 CA GLY A 71 7.367 9.957 7.388 1.00 0.00 C ATOM 1132 C GLY A 71 8.157 9.267 6.294 1.00 0.00 C ATOM 1133 O GLY A 71 9.357 9.031 6.439 1.00 0.00 O ATOM 0 H GLY A 71 6.662 11.774 6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.048 10.532 8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.905 9.204 8.027 1.00 0.00 H new ATOM 1137 N VAL A 72 7.485 8.941 5.195 1.00 0.00 N ATOM 1138 CA VAL A 72 8.133 8.272 4.075 1.00 0.00 C ATOM 1139 C VAL A 72 8.941 9.256 3.236 1.00 0.00 C ATOM 1140 O VAL A 72 8.407 10.249 2.740 1.00 0.00 O ATOM 1141 CB VAL A 72 7.106 7.569 3.166 1.00 0.00 C ATOM 1142 CG1 VAL A 72 7.810 6.715 2.125 1.00 0.00 C ATOM 1143 CG2 VAL A 72 6.147 6.729 3.997 1.00 0.00 C ATOM 0 H VAL A 72 6.492 9.130 5.057 1.00 0.00 H new ATOM 0 HA VAL A 72 8.802 7.525 4.502 1.00 0.00 H new ATOM 0 HB VAL A 72 6.527 8.331 2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.068 6.227 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.452 7.346 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.416 5.959 2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.429 6.240 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.708 5.974 4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.617 7.371 4.700 1.00 0.00 H new ATOM 1153 N THR A 73 10.228 8.970 3.078 1.00 0.00 N ATOM 1154 CA THR A 73 11.112 9.825 2.297 1.00 0.00 C ATOM 1155 C THR A 73 11.735 9.047 1.143 1.00 0.00 C ATOM 1156 O THR A 73 11.448 7.864 0.954 1.00 0.00 O ATOM 1157 CB THR A 73 12.210 10.410 3.187 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.796 9.400 3.990 1.00 0.00 O ATOM 1159 CG2 THR A 73 11.714 11.500 4.111 1.00 0.00 C ATOM 0 H THR A 73 10.683 8.151 3.481 1.00 0.00 H new ATOM 0 HA THR A 73 10.519 10.641 1.885 1.00 0.00 H new ATOM 0 HB THR A 73 12.938 10.842 2.501 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.486 9.796 4.562 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.543 11.871 4.714 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.300 12.317 3.520 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.941 11.098 4.766 1.00 0.00 H new ATOM 1167 N GLU A 74 12.587 9.715 0.373 1.00 0.00 N ATOM 1168 CA GLU A 74 13.248 9.082 -0.762 1.00 0.00 C ATOM 1169 C GLU A 74 14.069 7.875 -0.314 1.00 0.00 C ATOM 1170 O GLU A 74 14.019 6.814 -0.935 1.00 0.00 O ATOM 1171 CB GLU A 74 14.150 10.088 -1.480 1.00 0.00 C ATOM 1172 CG GLU A 74 13.490 10.750 -2.679 1.00 0.00 C ATOM 1173 CD GLU A 74 14.428 10.876 -3.864 1.00 0.00 C ATOM 1174 OE1 GLU A 74 15.658 10.927 -3.645 1.00 0.00 O ATOM 1175 OE2 GLU A 74 13.933 10.923 -5.010 1.00 0.00 O ATOM 0 H GLU A 74 12.836 10.694 0.514 1.00 0.00 H new ATOM 0 HA GLU A 74 12.477 8.737 -1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.456 10.859 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.056 9.580 -1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.615 10.171 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.136 11.741 -2.393 1.00 0.00 H new ATOM 1182 N ASP A 75 14.822 8.047 0.767 1.00 0.00 N ATOM 1183 CA ASP A 75 15.654 6.974 1.299 1.00 0.00 C ATOM 1184 C ASP A 75 14.802 5.797 1.762 1.00 0.00 C ATOM 1185 O ASP A 75 15.216 4.642 1.667 1.00 0.00 O ATOM 1186 CB ASP A 75 16.504 7.490 2.462 1.00 0.00 C ATOM 1187 CG ASP A 75 15.672 8.175 3.527 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.165 7.474 4.428 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.526 9.415 3.460 1.00 0.00 O ATOM 0 H ASP A 75 14.873 8.920 1.292 1.00 0.00 H new ATOM 0 HA ASP A 75 16.310 6.629 0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.047 6.657 2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.249 8.189 2.082 1.00 0.00 H new ATOM 1194 N LYS A 76 13.608 6.098 2.264 1.00 0.00 N ATOM 1195 CA LYS A 76 12.698 5.063 2.743 1.00 0.00 C ATOM 1196 C LYS A 76 12.057 4.317 1.578 1.00 0.00 C ATOM 1197 O LYS A 76 11.817 3.112 1.658 1.00 0.00 O ATOM 1198 CB LYS A 76 11.613 5.678 3.626 1.00 0.00 C ATOM 1199 CG LYS A 76 12.159 6.558 4.740 1.00 0.00 C ATOM 1200 CD LYS A 76 12.744 5.727 5.873 1.00 0.00 C ATOM 1201 CE LYS A 76 12.089 6.059 7.204 1.00 0.00 C ATOM 1202 NZ LYS A 76 13.036 5.906 8.343 1.00 0.00 N ATOM 0 H LYS A 76 13.249 7.049 2.350 1.00 0.00 H new ATOM 0 HA LYS A 76 13.277 4.351 3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.942 6.270 3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.018 4.878 4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.927 7.220 4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.362 7.193 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.610 4.667 5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.817 5.906 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.714 7.082 7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.228 5.408 7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.622 5.272 9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.931 5.503 7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.218 6.836 8.771 1.00 0.00 H new ATOM 1216 N LEU A 77 11.779 5.039 0.499 1.00 0.00 N ATOM 1217 CA LEU A 77 11.162 4.444 -0.680 1.00 0.00 C ATOM 1218 C LEU A 77 12.203 3.758 -1.563 1.00 0.00 C ATOM 1219 O LEU A 77 11.864 2.919 -2.398 1.00 0.00 O ATOM 1220 CB LEU A 77 10.415 5.510 -1.483 1.00 0.00 C ATOM 1221 CG LEU A 77 9.097 5.044 -2.102 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.318 3.811 -2.963 1.00 0.00 C ATOM 1223 CD2 LEU A 77 8.066 4.760 -1.018 1.00 0.00 C ATOM 0 H LEU A 77 11.971 6.037 0.416 1.00 0.00 H new ATOM 0 HA LEU A 77 10.453 3.689 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.213 6.360 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.067 5.867 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 77 8.716 5.844 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.369 3.494 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.020 4.047 -3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.724 3.007 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.135 4.430 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.440 3.979 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.884 5.668 -0.442 1.00 0.00 H new ATOM 1235 N GLU A 78 13.469 4.113 -1.375 1.00 0.00 N ATOM 1236 CA GLU A 78 14.550 3.520 -2.157 1.00 0.00 C ATOM 1237 C GLU A 78 15.120 2.292 -1.453 1.00 0.00 C ATOM 1238 O GLU A 78 15.626 1.374 -2.096 1.00 0.00 O ATOM 1239 CB GLU A 78 15.658 4.545 -2.398 1.00 0.00 C ATOM 1240 CG GLU A 78 16.295 4.439 -3.774 1.00 0.00 C ATOM 1241 CD GLU A 78 17.558 5.269 -3.898 1.00 0.00 C ATOM 1242 OE1 GLU A 78 18.292 5.385 -2.895 1.00 0.00 O ATOM 1243 OE2 GLU A 78 17.811 5.803 -4.999 1.00 0.00 O ATOM 0 H GLU A 78 13.772 4.806 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 78 14.140 3.209 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.248 5.547 -2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.430 4.419 -1.639 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.529 3.395 -3.982 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.577 4.762 -4.528 1.00 0.00 H new ATOM 1250 N LYS A 79 15.036 2.287 -0.125 1.00 0.00 N ATOM 1251 CA LYS A 79 15.549 1.177 0.671 1.00 0.00 C ATOM 1252 C LYS A 79 14.439 0.191 1.026 1.00 0.00 C ATOM 1253 O LYS A 79 14.526 -0.996 0.710 1.00 0.00 O ATOM 1254 CB LYS A 79 16.203 1.703 1.949 1.00 0.00 C ATOM 1255 CG LYS A 79 17.189 0.731 2.574 1.00 0.00 C ATOM 1256 CD LYS A 79 18.164 1.443 3.499 1.00 0.00 C ATOM 1257 CE LYS A 79 17.496 1.863 4.798 1.00 0.00 C ATOM 1258 NZ LYS A 79 18.367 1.611 5.979 1.00 0.00 N ATOM 0 H LYS A 79 14.617 3.039 0.422 1.00 0.00 H new ATOM 0 HA LYS A 79 16.294 0.652 0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.719 2.637 1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.425 1.935 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.646 -0.031 3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.742 0.216 1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 79 19.005 0.786 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.568 2.322 2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.246 2.923 4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.559 1.319 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.868 1.895 6.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.599 0.598 6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.244 2.163 5.888 1.00 0.00 H new ATOM 1272 N TYR A 80 13.403 0.687 1.695 1.00 0.00 N ATOM 1273 CA TYR A 80 12.282 -0.152 2.106 1.00 0.00 C ATOM 1274 C TYR A 80 11.277 -0.337 0.971 1.00 0.00 C ATOM 1275 O TYR A 80 10.578 -1.350 0.913 1.00 0.00 O ATOM 1276 CB TYR A 80 11.582 0.459 3.321 1.00 0.00 C ATOM 1277 CG TYR A 80 12.478 0.594 4.530 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.251 -0.474 4.968 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.549 1.788 5.237 1.00 0.00 C ATOM 1280 CE1 TYR A 80 14.070 -0.357 6.073 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.367 1.914 6.345 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.126 0.839 6.759 1.00 0.00 C ATOM 1283 OH TYR A 80 14.941 0.960 7.861 1.00 0.00 O ATOM 0 H TYR A 80 13.316 1.667 1.964 1.00 0.00 H new ATOM 0 HA TYR A 80 12.681 -1.131 2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.198 1.443 3.052 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.722 -0.158 3.583 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.210 -1.412 4.435 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.956 2.631 4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.664 -1.198 6.399 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.411 2.849 6.883 1.00 0.00 H new ATOM 0 HH TYR A 80 14.864 1.866 8.227 1.00 0.00 H new ATOM 1293 N GLY A 81 11.205 0.644 0.077 1.00 0.00 N ATOM 1294 CA GLY A 81 10.276 0.575 -1.040 1.00 0.00 C ATOM 1295 C GLY A 81 10.265 -0.780 -1.725 1.00 0.00 C ATOM 1296 O GLY A 81 9.206 -1.297 -2.078 1.00 0.00 O ATOM 0 H GLY A 81 11.775 1.489 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.271 0.803 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.537 1.342 -1.769 1.00 0.00 H new ATOM 1300 N ALA A 82 11.448 -1.354 -1.917 1.00 0.00 N ATOM 1301 CA ALA A 82 11.570 -2.652 -2.568 1.00 0.00 C ATOM 1302 C ALA A 82 10.819 -3.733 -1.798 1.00 0.00 C ATOM 1303 O ALA A 82 10.387 -4.731 -2.375 1.00 0.00 O ATOM 1304 CB ALA A 82 13.036 -3.028 -2.716 1.00 0.00 C ATOM 0 H ALA A 82 12.335 -0.940 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 82 11.121 -2.576 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.115 -4.000 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.545 -2.277 -3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.500 -3.078 -1.731 1.00 0.00 H new ATOM 1310 N GLU A 83 10.674 -3.536 -0.490 1.00 0.00 N ATOM 1311 CA GLU A 83 9.981 -4.505 0.353 1.00 0.00 C ATOM 1312 C GLU A 83 8.518 -4.118 0.562 1.00 0.00 C ATOM 1313 O GLU A 83 7.611 -4.855 0.170 1.00 0.00 O ATOM 1314 CB GLU A 83 10.691 -4.634 1.704 1.00 0.00 C ATOM 1315 CG GLU A 83 11.442 -5.944 1.871 1.00 0.00 C ATOM 1316 CD GLU A 83 10.532 -7.153 1.800 1.00 0.00 C ATOM 1317 OE1 GLU A 83 10.135 -7.533 0.678 1.00 0.00 O ATOM 1318 OE2 GLU A 83 10.215 -7.722 2.866 1.00 0.00 O ATOM 0 H GLU A 83 11.026 -2.718 0.007 1.00 0.00 H new ATOM 0 HA GLU A 83 10.003 -5.468 -0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.391 -3.806 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.955 -4.542 2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.204 -6.022 1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.961 -5.941 2.830 1.00 0.00 H new ATOM 1325 N VAL A 84 8.292 -2.962 1.185 1.00 0.00 N ATOM 1326 CA VAL A 84 6.935 -2.488 1.448 1.00 0.00 C ATOM 1327 C VAL A 84 6.051 -2.613 0.210 1.00 0.00 C ATOM 1328 O VAL A 84 4.966 -3.191 0.268 1.00 0.00 O ATOM 1329 CB VAL A 84 6.920 -1.022 1.927 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.336 -0.932 3.388 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.815 -0.157 1.054 1.00 0.00 C ATOM 0 H VAL A 84 9.029 -2.339 1.516 1.00 0.00 H new ATOM 0 HA VAL A 84 6.539 -3.122 2.241 1.00 0.00 H new ATOM 0 HB VAL A 84 5.901 -0.645 1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.319 0.110 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.644 -1.510 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.344 -1.331 3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.787 0.872 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.838 -0.530 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.462 -0.192 0.023 1.00 0.00 H new ATOM 1341 N ILE A 85 6.523 -2.075 -0.912 1.00 0.00 N ATOM 1342 CA ILE A 85 5.772 -2.139 -2.158 1.00 0.00 C ATOM 1343 C ILE A 85 5.524 -3.586 -2.568 1.00 0.00 C ATOM 1344 O ILE A 85 4.542 -3.888 -3.240 1.00 0.00 O ATOM 1345 CB ILE A 85 6.497 -1.403 -3.303 1.00 0.00 C ATOM 1346 CG1 ILE A 85 6.758 0.055 -2.915 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.683 -1.483 -4.591 1.00 0.00 C ATOM 1348 CD1 ILE A 85 7.342 0.886 -4.037 1.00 0.00 C ATOM 0 H ILE A 85 7.419 -1.592 -0.982 1.00 0.00 H new ATOM 0 HA ILE A 85 4.818 -1.643 -1.977 1.00 0.00 H new ATOM 0 HB ILE A 85 7.457 -1.890 -3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.822 0.508 -2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.439 0.079 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.210 -0.958 -5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.548 -2.528 -4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.708 -1.020 -4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.500 1.907 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.294 0.457 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.653 0.893 -4.881 1.00 0.00 H new ATOM 1360 N SER A 86 6.417 -4.479 -2.155 1.00 0.00 N ATOM 1361 CA SER A 86 6.282 -5.893 -2.478 1.00 0.00 C ATOM 1362 C SER A 86 4.958 -6.435 -1.949 1.00 0.00 C ATOM 1363 O SER A 86 4.364 -7.340 -2.534 1.00 0.00 O ATOM 1364 CB SER A 86 7.448 -6.688 -1.887 1.00 0.00 C ATOM 1365 OG SER A 86 7.640 -7.906 -2.584 1.00 0.00 O ATOM 0 H SER A 86 7.240 -4.249 -1.597 1.00 0.00 H new ATOM 0 HA SER A 86 6.297 -6.002 -3.562 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.359 -6.092 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.255 -6.894 -0.834 1.00 0.00 H new ATOM 0 HG SER A 86 8.392 -8.395 -2.188 1.00 0.00 H new ATOM 1371 N VAL A 87 4.501 -5.865 -0.837 1.00 0.00 N ATOM 1372 CA VAL A 87 3.247 -6.280 -0.221 1.00 0.00 C ATOM 1373 C VAL A 87 2.068 -5.468 -0.757 1.00 0.00 C ATOM 1374 O VAL A 87 0.915 -5.881 -0.638 1.00 0.00 O ATOM 1375 CB VAL A 87 3.300 -6.128 1.311 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.065 -6.741 1.953 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.571 -6.757 1.869 1.00 0.00 C ATOM 0 H VAL A 87 4.983 -5.113 -0.344 1.00 0.00 H new ATOM 0 HA VAL A 87 3.105 -7.330 -0.475 1.00 0.00 H new ATOM 0 HB VAL A 87 3.314 -5.065 1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.121 -6.624 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.173 -6.238 1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.014 -7.801 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.590 -6.639 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.592 -7.818 1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.441 -6.265 1.435 1.00 0.00 H new ATOM 1387 N LEU A 88 2.362 -4.307 -1.338 1.00 0.00 N ATOM 1388 CA LEU A 88 1.321 -3.436 -1.877 1.00 0.00 C ATOM 1389 C LEU A 88 0.959 -3.806 -3.313 1.00 0.00 C ATOM 1390 O LEU A 88 -0.119 -3.456 -3.795 1.00 0.00 O ATOM 1391 CB LEU A 88 1.771 -1.975 -1.817 1.00 0.00 C ATOM 1392 CG LEU A 88 1.659 -1.318 -0.437 1.00 0.00 C ATOM 1393 CD1 LEU A 88 2.996 -0.732 -0.013 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.579 -0.242 -0.437 1.00 0.00 C ATOM 0 H LEU A 88 3.311 -3.948 -1.447 1.00 0.00 H new ATOM 0 HA LEU A 88 0.431 -3.570 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.808 -1.916 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.177 -1.398 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 88 1.376 -2.086 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.896 -0.270 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.742 -1.525 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.310 0.020 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.517 0.211 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.828 0.524 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.381 -0.690 -0.692 1.00 0.00 H new ATOM 1406 N GLN A 89 1.859 -4.506 -3.995 1.00 0.00 N ATOM 1407 CA GLN A 89 1.624 -4.912 -5.377 1.00 0.00 C ATOM 1408 C GLN A 89 0.258 -5.578 -5.530 1.00 0.00 C ATOM 1409 O GLN A 89 -0.395 -5.452 -6.566 1.00 0.00 O ATOM 1410 CB GLN A 89 2.725 -5.864 -5.843 1.00 0.00 C ATOM 1411 CG GLN A 89 3.128 -5.665 -7.295 1.00 0.00 C ATOM 1412 CD GLN A 89 3.936 -4.399 -7.506 1.00 0.00 C ATOM 1413 OE1 GLN A 89 3.577 -3.549 -8.319 1.00 0.00 O ATOM 1414 NE2 GLN A 89 5.035 -4.269 -6.770 1.00 0.00 N ATOM 0 H GLN A 89 2.757 -4.804 -3.614 1.00 0.00 H new ATOM 0 HA GLN A 89 1.639 -4.017 -5.998 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.602 -5.730 -5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.387 -6.891 -5.706 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.711 -6.524 -7.628 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.232 -5.628 -7.915 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.295 -5.000 -6.108 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.619 -3.438 -6.868 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.166 -6.286 -4.487 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.452 -6.972 -4.502 1.00 0.00 C ATOM 1425 C LYS A 90 -2.604 -5.973 -4.564 1.00 0.00 C ATOM 1426 O LYS A 90 -3.567 -6.169 -5.306 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.596 -7.856 -3.261 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.375 -8.718 -2.983 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.768 -10.116 -2.536 1.00 0.00 C ATOM 1430 CE LYS A 90 -1.153 -10.144 -1.065 1.00 0.00 C ATOM 1431 NZ LYS A 90 -1.783 -11.436 -0.680 1.00 0.00 N ATOM 0 H LYS A 90 0.362 -6.399 -3.622 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.490 -7.598 -5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.788 -7.223 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.466 -8.501 -3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.239 -8.782 -3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.236 -8.247 -2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.604 -10.470 -3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.062 -10.801 -2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.266 -9.977 -0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.843 -9.327 -0.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.030 -11.414 0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.644 -11.584 -1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.115 -12.214 -0.856 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.501 -4.902 -3.783 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.537 -3.876 -3.756 1.00 0.00 C ATOM 1447 C TYR A 91 -3.739 -3.274 -5.141 1.00 0.00 C ATOM 1448 O TYR A 91 -4.869 -3.109 -5.598 1.00 0.00 O ATOM 1449 CB TYR A 91 -3.177 -2.772 -2.759 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.598 -3.281 -1.457 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -2.947 -4.527 -0.951 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.697 -2.511 -0.733 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.414 -4.991 0.237 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -1.160 -2.967 0.455 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.520 -4.208 0.935 1.00 0.00 C ATOM 1456 OH TYR A 91 -0.984 -4.667 2.115 1.00 0.00 O ATOM 0 H TYR A 91 -1.712 -4.723 -3.162 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.467 -4.348 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.459 -2.097 -3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.071 -2.187 -2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.647 -5.144 -1.495 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.411 -1.538 -1.106 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.697 -5.962 0.616 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.461 -2.354 1.005 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.372 -3.994 2.480 1.00 0.00 H new ATOM 1466 N SER A 92 -2.636 -2.946 -5.806 1.00 0.00 N ATOM 1467 CA SER A 92 -2.695 -2.363 -7.141 1.00 0.00 C ATOM 1468 C SER A 92 -3.413 -3.293 -8.115 1.00 0.00 C ATOM 1469 O SER A 92 -3.908 -2.856 -9.155 1.00 0.00 O ATOM 1470 CB SER A 92 -1.284 -2.062 -7.652 1.00 0.00 C ATOM 1471 OG SER A 92 -1.325 -1.421 -8.914 1.00 0.00 O ATOM 0 H SER A 92 -1.692 -3.074 -5.442 1.00 0.00 H new ATOM 0 HA SER A 92 -3.258 -1.432 -7.076 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.762 -1.428 -6.935 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.717 -2.989 -7.730 1.00 0.00 H new ATOM 0 HG SER A 92 -0.411 -1.238 -9.218 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.468 -4.579 -7.775 1.00 0.00 N ATOM 1478 CA GLU A 93 -4.126 -5.566 -8.625 1.00 0.00 C ATOM 1479 C GLU A 93 -5.555 -5.842 -8.155 1.00 0.00 C ATOM 1480 O GLU A 93 -6.360 -6.403 -8.897 1.00 0.00 O ATOM 1481 CB GLU A 93 -3.325 -6.868 -8.640 1.00 0.00 C ATOM 1482 CG GLU A 93 -2.139 -6.841 -9.591 1.00 0.00 C ATOM 1483 CD GLU A 93 -1.253 -8.065 -9.454 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -1.747 -9.185 -9.704 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -0.068 -7.903 -9.096 1.00 0.00 O ATOM 0 H GLU A 93 -3.066 -4.960 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.172 -5.158 -9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.967 -7.076 -7.632 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.986 -7.688 -8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.502 -6.773 -10.617 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.547 -5.946 -9.402 1.00 0.00 H new