USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 905 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 44 HIS : no HE2:sc= 1.59 K(o=2.2,f=-5.6!) USER MOD Set 1.2: A 103 SER OG : rot 157:sc= 0.589 USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 28 GLN : amide:sc= -0.622 K(o=-1.3,f=-1.8!) USER MOD Set 3.2: A 32 ASN : amide:sc= -0.64 K(o=-1.3,f=-3.7!) USER MOD Single : A 19 HIS : no HD1:sc= 0.895 K(o=0.89,f=-4.3!) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 1.08 (180deg=0.809) USER MOD Single : A 27 MET CE :methyl -134:sc= -0.0508 (180deg=-2.08!) USER MOD Single : A 37 LYS NZ :NH3+ -172:sc=-0.00853 (180deg=-0.0956) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 46 HIS : no HE2:sc= 0.907 K(o=0.91,f=-4.5!) USER MOD Single : A 47 THR OG1 : rot 57:sc= 0.174 USER MOD Single : A 52 GLN : amide:sc= -0.0605 K(o=-0.06,f=-0.58) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 77 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.15) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= -0.0489 (180deg=-0.348) USER MOD Single : A 99 CYS SG : rot 170:sc= -1.91 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -2.95! C(o=-2.9!,f=-4.8!) USER MOD Single : A 108 MET CE :methyl -168:sc= -0.479 (180deg=-0.757) USER MOD Single : A 113 ASN : amide:sc= -0.0101 K(o=-0.01,f=-0.86) USER MOD Single : A 115 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.0026) USER MOD Single : A 117 THR OG1 : rot -150:sc= -0.277 USER MOD Single : A 122 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 123 THR OG1 : rot -5:sc= -0.323 USER MOD Single : A 130 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 132 LYS NZ :NH3+ -138:sc= 2.2 (180deg=-0.278!) USER MOD Single : A 135 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 308 N VAL A 18 -0.277 10.014 7.319 1.00 0.00 N ATOM 309 CA VAL A 18 -1.266 9.699 6.298 1.00 0.00 C ATOM 310 C VAL A 18 -0.588 8.929 5.166 1.00 0.00 C ATOM 311 O VAL A 18 -1.240 8.379 4.281 1.00 0.00 O ATOM 312 CB VAL A 18 -1.936 10.980 5.743 1.00 0.00 C ATOM 313 CG1 VAL A 18 -3.067 10.646 4.778 1.00 0.00 C ATOM 314 CG2 VAL A 18 -2.454 11.842 6.883 1.00 0.00 C ATOM 0 HA VAL A 18 -2.048 9.088 6.749 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.180 11.538 5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.514 11.569 4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.672 10.073 3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.825 10.057 5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.922 12.739 6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.187 11.279 7.460 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.624 12.127 7.530 1.00 0.00 H new ATOM 324 N HIS A 19 0.738 8.885 5.233 1.00 0.00 N ATOM 325 CA HIS A 19 1.557 8.147 4.278 1.00 0.00 C ATOM 326 C HIS A 19 1.083 6.699 4.175 1.00 0.00 C ATOM 327 O HIS A 19 0.978 6.142 3.083 1.00 0.00 O ATOM 328 CB HIS A 19 3.017 8.183 4.735 1.00 0.00 C ATOM 329 CG HIS A 19 4.021 8.076 3.631 1.00 0.00 C ATOM 330 ND1 HIS A 19 5.083 8.941 3.517 1.00 0.00 N ATOM 331 CD2 HIS A 19 4.147 7.194 2.613 1.00 0.00 C ATOM 332 CE1 HIS A 19 5.818 8.600 2.478 1.00 0.00 C ATOM 333 NE2 HIS A 19 5.276 7.540 1.909 1.00 0.00 N ATOM 0 H HIS A 19 1.278 9.363 5.955 1.00 0.00 H new ATOM 0 HA HIS A 19 1.466 8.611 3.296 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.191 9.113 5.277 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.183 7.368 5.439 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.483 6.371 2.394 1.00 0.00 H new ATOM 0 HE1 HIS A 19 6.714 9.104 2.147 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.635 7.058 1.085 1.00 0.00 H new ATOM 342 N GLU A 20 0.802 6.096 5.324 1.00 0.00 N ATOM 343 CA GLU A 20 0.303 4.731 5.369 1.00 0.00 C ATOM 344 C GLU A 20 -1.218 4.709 5.241 1.00 0.00 C ATOM 345 O GLU A 20 -1.784 3.773 4.675 1.00 0.00 O ATOM 346 CB GLU A 20 0.736 4.033 6.664 1.00 0.00 C ATOM 347 CG GLU A 20 2.220 3.679 6.722 1.00 0.00 C ATOM 348 CD GLU A 20 3.125 4.895 6.660 1.00 0.00 C ATOM 349 OE1 GLU A 20 2.901 5.840 7.435 1.00 0.00 O ATOM 350 OE2 GLU A 20 4.067 4.909 5.838 1.00 0.00 O ATOM 0 H GLU A 20 0.912 6.534 6.238 1.00 0.00 H new ATOM 0 HA GLU A 20 0.731 4.189 4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.495 4.679 7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.152 3.120 6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.421 3.131 7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.461 3.012 5.894 1.00 0.00 H new ATOM 357 N LEU A 21 -1.872 5.751 5.751 1.00 0.00 N ATOM 358 CA LEU A 21 -3.329 5.868 5.665 1.00 0.00 C ATOM 359 C LEU A 21 -3.794 5.839 4.216 1.00 0.00 C ATOM 360 O LEU A 21 -4.773 5.176 3.882 1.00 0.00 O ATOM 361 CB LEU A 21 -3.817 7.157 6.332 1.00 0.00 C ATOM 362 CG LEU A 21 -3.702 7.200 7.856 1.00 0.00 C ATOM 363 CD1 LEU A 21 -4.080 8.577 8.376 1.00 0.00 C ATOM 364 CD2 LEU A 21 -4.589 6.140 8.485 1.00 0.00 C ATOM 0 H LEU A 21 -1.416 6.528 6.229 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.755 5.014 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.253 7.994 5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.861 7.312 6.060 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.667 6.995 8.130 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.993 8.592 9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.411 9.324 7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.107 8.804 8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.495 6.184 9.570 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.626 6.319 8.203 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.283 5.154 8.134 1.00 0.00 H new ATOM 376 N ALA A 22 -3.078 6.561 3.364 1.00 0.00 N ATOM 377 CA ALA A 22 -3.385 6.614 1.938 1.00 0.00 C ATOM 378 C ALA A 22 -3.336 5.226 1.299 1.00 0.00 C ATOM 379 O ALA A 22 -4.068 4.945 0.349 1.00 0.00 O ATOM 380 CB ALA A 22 -2.424 7.555 1.227 1.00 0.00 C ATOM 0 H ALA A 22 -2.273 7.124 3.638 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.402 6.993 1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.664 7.585 0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.516 8.556 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.402 7.199 1.358 1.00 0.00 H new ATOM 386 N ARG A 23 -2.486 4.357 1.831 1.00 0.00 N ATOM 387 CA ARG A 23 -2.364 2.998 1.315 1.00 0.00 C ATOM 388 C ARG A 23 -3.572 2.164 1.730 1.00 0.00 C ATOM 389 O ARG A 23 -4.082 1.360 0.950 1.00 0.00 O ATOM 390 CB ARG A 23 -1.070 2.350 1.809 1.00 0.00 C ATOM 391 CG ARG A 23 0.185 3.050 1.310 1.00 0.00 C ATOM 392 CD ARG A 23 1.440 2.403 1.869 1.00 0.00 C ATOM 393 NE ARG A 23 2.665 3.048 1.388 1.00 0.00 N ATOM 394 CZ ARG A 23 3.561 3.623 2.190 1.00 0.00 C ATOM 395 NH1 ARG A 23 3.313 3.725 3.490 1.00 0.00 N ATOM 396 NH2 ARG A 23 4.693 4.111 1.695 1.00 0.00 N ATOM 0 H ARG A 23 -1.872 4.567 2.618 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.330 3.043 0.226 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.067 2.348 2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.048 1.309 1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.212 3.019 0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.156 4.101 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.413 2.447 2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.456 1.349 1.593 1.00 0.00 H new ATOM 0 HE ARG A 23 2.842 3.057 0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.439 3.364 3.872 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.996 4.164 4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.882 4.047 0.695 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.374 4.550 2.315 1.00 0.00 H new ATOM 410 N VAL A 24 -4.030 2.371 2.958 1.00 0.00 N ATOM 411 CA VAL A 24 -5.242 1.720 3.439 1.00 0.00 C ATOM 412 C VAL A 24 -6.450 2.262 2.680 1.00 0.00 C ATOM 413 O VAL A 24 -7.375 1.523 2.340 1.00 0.00 O ATOM 414 CB VAL A 24 -5.436 1.934 4.959 1.00 0.00 C ATOM 415 CG1 VAL A 24 -6.728 1.290 5.444 1.00 0.00 C ATOM 416 CG2 VAL A 24 -4.251 1.377 5.730 1.00 0.00 C ATOM 0 H VAL A 24 -3.581 2.984 3.639 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.145 0.649 3.262 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.502 3.007 5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.838 1.457 6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.575 1.733 4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.698 0.219 5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.404 1.536 6.797 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.158 0.309 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.340 1.886 5.414 1.00 0.00 H new ATOM 426 N LYS A 25 -6.416 3.562 2.404 1.00 0.00 N ATOM 427 CA LYS A 25 -7.441 4.209 1.600 1.00 0.00 C ATOM 428 C LYS A 25 -7.543 3.544 0.234 1.00 0.00 C ATOM 429 O LYS A 25 -8.636 3.243 -0.235 1.00 0.00 O ATOM 430 CB LYS A 25 -7.124 5.697 1.433 1.00 0.00 C ATOM 431 CG LYS A 25 -8.148 6.451 0.603 1.00 0.00 C ATOM 432 CD LYS A 25 -7.723 7.892 0.370 1.00 0.00 C ATOM 433 CE LYS A 25 -8.698 8.624 -0.538 1.00 0.00 C ATOM 434 NZ LYS A 25 -8.816 7.975 -1.870 1.00 0.00 N ATOM 0 H LYS A 25 -5.682 4.191 2.730 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.397 4.106 2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.058 6.158 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.144 5.800 0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.281 5.950 -0.356 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.113 6.432 1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.656 8.411 1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.728 7.911 -0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.679 8.658 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.370 9.655 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.353 8.593 -2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.867 7.812 -2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.311 7.066 -1.770 1.00 0.00 H new ATOM 448 N PHE A 26 -6.391 3.309 -0.390 1.00 0.00 N ATOM 449 CA PHE A 26 -6.343 2.645 -1.687 1.00 0.00 C ATOM 450 C PHE A 26 -7.013 1.276 -1.618 1.00 0.00 C ATOM 451 O PHE A 26 -7.742 0.892 -2.531 1.00 0.00 O ATOM 452 CB PHE A 26 -4.894 2.502 -2.173 1.00 0.00 C ATOM 453 CG PHE A 26 -4.760 1.652 -3.409 1.00 0.00 C ATOM 454 CD1 PHE A 26 -5.164 2.129 -4.647 1.00 0.00 C ATOM 455 CD2 PHE A 26 -4.237 0.370 -3.329 1.00 0.00 C ATOM 456 CE1 PHE A 26 -5.052 1.342 -5.779 1.00 0.00 C ATOM 457 CE2 PHE A 26 -4.123 -0.418 -4.456 1.00 0.00 C ATOM 458 CZ PHE A 26 -4.530 0.066 -5.682 1.00 0.00 C ATOM 0 H PHE A 26 -5.478 3.569 -0.017 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.888 3.263 -2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.487 3.493 -2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.292 2.068 -1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.571 3.126 -4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.915 -0.016 -2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.372 1.724 -6.737 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.715 -1.415 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.441 -0.551 -6.564 1.00 0.00 H new ATOM 468 N MET A 27 -6.777 0.553 -0.533 1.00 0.00 N ATOM 469 CA MET A 27 -7.372 -0.765 -0.357 1.00 0.00 C ATOM 470 C MET A 27 -8.881 -0.667 -0.183 1.00 0.00 C ATOM 471 O MET A 27 -9.625 -1.432 -0.788 1.00 0.00 O ATOM 472 CB MET A 27 -6.731 -1.496 0.819 1.00 0.00 C ATOM 473 CG MET A 27 -5.304 -1.926 0.536 1.00 0.00 C ATOM 474 SD MET A 27 -4.576 -2.878 1.879 1.00 0.00 S ATOM 475 CE MET A 27 -3.005 -3.328 1.146 1.00 0.00 C ATOM 0 H MET A 27 -6.180 0.855 0.237 1.00 0.00 H new ATOM 0 HA MET A 27 -7.180 -1.344 -1.260 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.743 -0.847 1.695 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.328 -2.374 1.065 1.00 0.00 H new ATOM 0 HG2 MET A 27 -5.284 -2.522 -0.376 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.694 -1.042 0.353 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.812 -4.386 1.320 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.036 -3.137 0.073 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.210 -2.735 1.598 1.00 0.00 H new ATOM 485 N GLN A 28 -9.338 0.285 0.619 1.00 0.00 N ATOM 486 CA GLN A 28 -10.773 0.496 0.792 1.00 0.00 C ATOM 487 C GLN A 28 -11.395 0.893 -0.537 1.00 0.00 C ATOM 488 O GLN A 28 -12.457 0.392 -0.917 1.00 0.00 O ATOM 489 CB GLN A 28 -11.034 1.581 1.836 1.00 0.00 C ATOM 490 CG GLN A 28 -12.452 1.582 2.386 1.00 0.00 C ATOM 491 CD GLN A 28 -13.363 2.562 1.677 1.00 0.00 C ATOM 492 OE1 GLN A 28 -12.916 3.583 1.156 1.00 0.00 O ATOM 493 NE2 GLN A 28 -14.654 2.276 1.687 1.00 0.00 N ATOM 0 H GLN A 28 -8.745 0.918 1.156 1.00 0.00 H new ATOM 0 HA GLN A 28 -11.225 -0.433 1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.335 1.451 2.662 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.827 2.555 1.393 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.870 0.579 2.300 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.423 1.825 3.448 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.983 1.418 2.130 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.321 2.913 1.252 1.00 0.00 H new ATOM 502 N ASP A 29 -10.708 1.781 -1.247 1.00 0.00 N ATOM 503 CA ASP A 29 -11.157 2.230 -2.553 1.00 0.00 C ATOM 504 C ASP A 29 -11.255 1.067 -3.524 1.00 0.00 C ATOM 505 O ASP A 29 -12.292 0.871 -4.132 1.00 0.00 O ATOM 506 CB ASP A 29 -10.229 3.300 -3.136 1.00 0.00 C ATOM 507 CG ASP A 29 -10.446 4.679 -2.543 1.00 0.00 C ATOM 508 OD1 ASP A 29 -11.605 5.034 -2.236 1.00 0.00 O ATOM 509 OD2 ASP A 29 -9.456 5.436 -2.427 1.00 0.00 O ATOM 0 H ASP A 29 -9.834 2.204 -0.935 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.145 2.668 -2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.194 3.001 -2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.378 3.350 -4.215 1.00 0.00 H new ATOM 514 N VAL A 30 -10.182 0.285 -3.649 1.00 0.00 N ATOM 515 CA VAL A 30 -10.133 -0.786 -4.644 1.00 0.00 C ATOM 516 C VAL A 30 -11.182 -1.870 -4.366 1.00 0.00 C ATOM 517 O VAL A 30 -11.742 -2.443 -5.300 1.00 0.00 O ATOM 518 CB VAL A 30 -8.720 -1.414 -4.761 1.00 0.00 C ATOM 519 CG1 VAL A 30 -8.332 -2.175 -3.504 1.00 0.00 C ATOM 520 CG2 VAL A 30 -8.631 -2.316 -5.981 1.00 0.00 C ATOM 0 H VAL A 30 -9.341 0.372 -3.078 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.369 -0.323 -5.602 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.010 -0.595 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.336 -2.599 -3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.333 -1.495 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.048 -2.978 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.631 -2.746 -6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.366 -3.117 -5.896 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.832 -1.733 -6.880 1.00 0.00 H new ATOM 530 N VAL A 31 -11.462 -2.131 -3.087 1.00 0.00 N ATOM 531 CA VAL A 31 -12.515 -3.078 -2.713 1.00 0.00 C ATOM 532 C VAL A 31 -13.868 -2.573 -3.204 1.00 0.00 C ATOM 533 O VAL A 31 -14.717 -3.343 -3.652 1.00 0.00 O ATOM 534 CB VAL A 31 -12.576 -3.299 -1.179 1.00 0.00 C ATOM 535 CG1 VAL A 31 -13.758 -4.181 -0.800 1.00 0.00 C ATOM 536 CG2 VAL A 31 -11.285 -3.913 -0.668 1.00 0.00 C ATOM 0 H VAL A 31 -10.978 -1.703 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.278 -4.032 -3.184 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.708 -2.323 -0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.777 -4.320 0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.685 -3.705 -1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.660 -5.151 -1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.353 -4.058 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.122 -4.875 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.452 -3.247 -0.893 1.00 0.00 H new ATOM 546 N ASN A 32 -14.057 -1.264 -3.121 1.00 0.00 N ATOM 547 CA ASN A 32 -15.300 -0.637 -3.550 1.00 0.00 C ATOM 548 C ASN A 32 -15.199 -0.093 -4.979 1.00 0.00 C ATOM 549 O ASN A 32 -16.117 0.562 -5.469 1.00 0.00 O ATOM 550 CB ASN A 32 -15.679 0.482 -2.574 1.00 0.00 C ATOM 551 CG ASN A 32 -16.427 -0.041 -1.365 1.00 0.00 C ATOM 552 OD1 ASN A 32 -17.133 -1.044 -1.444 1.00 0.00 O ATOM 553 ND2 ASN A 32 -16.282 0.634 -0.238 1.00 0.00 N ATOM 0 H ASN A 32 -13.361 -0.612 -2.758 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.081 -1.398 -3.549 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.776 0.996 -2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -16.295 1.218 -3.090 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.765 0.327 0.606 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.687 1.462 -0.212 1.00 0.00 H new ATOM 560 N SER A 33 -14.087 -0.378 -5.640 1.00 0.00 N ATOM 561 CA SER A 33 -13.837 0.106 -6.992 1.00 0.00 C ATOM 562 C SER A 33 -14.084 -1.001 -8.007 1.00 0.00 C ATOM 563 O SER A 33 -13.742 -2.154 -7.764 1.00 0.00 O ATOM 564 CB SER A 33 -12.393 0.608 -7.099 1.00 0.00 C ATOM 565 OG SER A 33 -12.096 1.105 -8.392 1.00 0.00 O ATOM 0 H SER A 33 -13.334 -0.949 -5.257 1.00 0.00 H new ATOM 0 HA SER A 33 -14.520 0.928 -7.206 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.227 1.394 -6.362 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.708 -0.205 -6.857 1.00 0.00 H new ATOM 0 HG SER A 33 -11.167 1.416 -8.417 1.00 0.00 H new ATOM 571 N ASP A 34 -14.644 -0.635 -9.157 1.00 0.00 N ATOM 572 CA ASP A 34 -15.006 -1.601 -10.202 1.00 0.00 C ATOM 573 C ASP A 34 -13.779 -2.342 -10.717 1.00 0.00 C ATOM 574 O ASP A 34 -13.899 -3.383 -11.362 1.00 0.00 O ATOM 575 CB ASP A 34 -15.689 -0.904 -11.384 1.00 0.00 C ATOM 576 CG ASP A 34 -16.901 -0.094 -10.985 1.00 0.00 C ATOM 577 OD1 ASP A 34 -17.979 -0.685 -10.762 1.00 0.00 O ATOM 578 OD2 ASP A 34 -16.783 1.146 -10.896 1.00 0.00 O ATOM 0 H ASP A 34 -14.861 0.333 -9.394 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.696 -2.313 -9.750 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.969 -0.249 -11.875 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.988 -1.655 -12.116 1.00 0.00 H new ATOM 583 N THR A 35 -12.608 -1.793 -10.440 1.00 0.00 N ATOM 584 CA THR A 35 -11.355 -2.400 -10.853 1.00 0.00 C ATOM 585 C THR A 35 -11.195 -3.805 -10.258 1.00 0.00 C ATOM 586 O THR A 35 -10.689 -4.709 -10.923 1.00 0.00 O ATOM 587 CB THR A 35 -10.162 -1.508 -10.448 1.00 0.00 C ATOM 588 OG1 THR A 35 -10.298 -0.212 -11.059 1.00 0.00 O ATOM 589 CG2 THR A 35 -8.836 -2.126 -10.865 1.00 0.00 C ATOM 0 H THR A 35 -12.500 -0.919 -9.925 1.00 0.00 H new ATOM 0 HA THR A 35 -11.372 -2.493 -11.939 1.00 0.00 H new ATOM 0 HB THR A 35 -10.167 -1.414 -9.362 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.541 0.353 -10.799 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.019 -1.471 -10.564 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.719 -3.097 -10.383 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.819 -2.254 -11.947 1.00 0.00 H new ATOM 597 N PHE A 36 -11.647 -3.993 -9.020 1.00 0.00 N ATOM 598 CA PHE A 36 -11.574 -5.301 -8.366 1.00 0.00 C ATOM 599 C PHE A 36 -12.797 -5.553 -7.489 1.00 0.00 C ATOM 600 O PHE A 36 -12.749 -6.359 -6.564 1.00 0.00 O ATOM 601 CB PHE A 36 -10.298 -5.422 -7.524 1.00 0.00 C ATOM 602 CG PHE A 36 -9.063 -5.723 -8.326 1.00 0.00 C ATOM 603 CD1 PHE A 36 -8.853 -6.991 -8.844 1.00 0.00 C ATOM 604 CD2 PHE A 36 -8.113 -4.744 -8.559 1.00 0.00 C ATOM 605 CE1 PHE A 36 -7.717 -7.277 -9.577 1.00 0.00 C ATOM 606 CE2 PHE A 36 -6.976 -5.022 -9.292 1.00 0.00 C ATOM 607 CZ PHE A 36 -6.779 -6.289 -9.804 1.00 0.00 C ATOM 0 H PHE A 36 -12.067 -3.259 -8.449 1.00 0.00 H new ATOM 0 HA PHE A 36 -11.552 -6.055 -9.153 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.146 -4.491 -6.977 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.438 -6.208 -6.782 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.586 -7.765 -8.673 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.263 -3.750 -8.163 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.563 -8.271 -9.971 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.242 -4.249 -9.465 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.893 -6.507 -10.381 1.00 0.00 H new ATOM 617 N LYS A 37 -13.901 -4.891 -7.814 1.00 0.00 N ATOM 618 CA LYS A 37 -15.131 -5.000 -7.032 1.00 0.00 C ATOM 619 C LYS A 37 -15.690 -6.420 -7.099 1.00 0.00 C ATOM 620 O LYS A 37 -16.407 -6.862 -6.201 1.00 0.00 O ATOM 621 CB LYS A 37 -16.168 -3.994 -7.546 1.00 0.00 C ATOM 622 CG LYS A 37 -17.359 -3.793 -6.623 1.00 0.00 C ATOM 623 CD LYS A 37 -18.256 -2.673 -7.128 1.00 0.00 C ATOM 624 CE LYS A 37 -19.427 -2.412 -6.193 1.00 0.00 C ATOM 625 NZ LYS A 37 -20.320 -3.594 -6.064 1.00 0.00 N ATOM 0 H LYS A 37 -13.971 -4.269 -8.619 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.902 -4.773 -5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.678 -3.033 -7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.530 -4.328 -8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.931 -4.719 -6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.009 -3.559 -5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.670 -1.761 -7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -18.633 -2.930 -8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -19.049 -2.136 -5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.002 -1.563 -6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -21.172 -3.329 -5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.595 -3.926 -7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.819 -4.355 -5.562 1.00 0.00 H new ATOM 639 N GLY A 38 -15.346 -7.128 -8.169 1.00 0.00 N ATOM 640 CA GLY A 38 -15.780 -8.502 -8.330 1.00 0.00 C ATOM 641 C GLY A 38 -15.118 -9.447 -7.341 1.00 0.00 C ATOM 642 O GLY A 38 -15.598 -10.559 -7.126 1.00 0.00 O ATOM 0 H GLY A 38 -14.771 -6.771 -8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.862 -8.554 -8.207 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.559 -8.832 -9.345 1.00 0.00 H new ATOM 646 N GLN A 39 -14.017 -9.010 -6.738 1.00 0.00 N ATOM 647 CA GLN A 39 -13.306 -9.825 -5.761 1.00 0.00 C ATOM 648 C GLN A 39 -13.457 -9.234 -4.365 1.00 0.00 C ATOM 649 O GLN A 39 -12.885 -8.191 -4.057 1.00 0.00 O ATOM 650 CB GLN A 39 -11.822 -9.947 -6.124 1.00 0.00 C ATOM 651 CG GLN A 39 -11.565 -10.770 -7.376 1.00 0.00 C ATOM 652 CD GLN A 39 -10.088 -10.932 -7.684 1.00 0.00 C ATOM 653 OE1 GLN A 39 -9.275 -10.064 -7.373 1.00 0.00 O ATOM 654 NE2 GLN A 39 -9.733 -12.049 -8.300 1.00 0.00 N ATOM 0 H GLN A 39 -13.598 -8.096 -6.909 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.745 -10.823 -5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.408 -8.948 -6.265 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.288 -10.398 -5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.016 -11.755 -7.256 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.058 -10.295 -8.224 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.439 -12.745 -8.541 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.754 -12.214 -8.533 1.00 0.00 H new ATOM 663 N PRO A 40 -14.251 -9.890 -3.505 1.00 0.00 N ATOM 664 CA PRO A 40 -14.484 -9.431 -2.133 1.00 0.00 C ATOM 665 C PRO A 40 -13.219 -9.494 -1.279 1.00 0.00 C ATOM 666 O PRO A 40 -13.002 -8.653 -0.406 1.00 0.00 O ATOM 667 CB PRO A 40 -15.541 -10.408 -1.593 1.00 0.00 C ATOM 668 CG PRO A 40 -16.107 -11.082 -2.798 1.00 0.00 C ATOM 669 CD PRO A 40 -14.996 -11.121 -3.803 1.00 0.00 C ATOM 0 HA PRO A 40 -14.800 -8.388 -2.106 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -15.095 -11.132 -0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -16.316 -9.881 -1.037 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -16.452 -12.087 -2.558 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.966 -10.534 -3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.375 -12.009 -3.686 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.374 -11.129 -4.825 1.00 0.00 H new ATOM 677 N ILE A 41 -12.389 -10.497 -1.539 1.00 0.00 N ATOM 678 CA ILE A 41 -11.162 -10.691 -0.781 1.00 0.00 C ATOM 679 C ILE A 41 -9.961 -10.704 -1.720 1.00 0.00 C ATOM 680 O ILE A 41 -10.062 -11.152 -2.865 1.00 0.00 O ATOM 681 CB ILE A 41 -11.189 -12.015 0.018 1.00 0.00 C ATOM 682 CG1 ILE A 41 -12.469 -12.119 0.856 1.00 0.00 C ATOM 683 CG2 ILE A 41 -9.967 -12.115 0.916 1.00 0.00 C ATOM 684 CD1 ILE A 41 -12.626 -11.012 1.875 1.00 0.00 C ATOM 0 H ILE A 41 -12.545 -11.190 -2.271 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.079 -9.862 -0.078 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.174 -12.842 -0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.330 -12.110 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.476 -13.079 1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -10.000 -13.052 1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.064 -12.086 0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.960 -11.278 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -13.555 -11.155 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.785 -11.033 2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.652 -10.049 1.365 1.00 0.00 H new ATOM 696 N PHE A 42 -8.829 -10.215 -1.237 1.00 0.00 N ATOM 697 CA PHE A 42 -7.616 -10.183 -2.033 1.00 0.00 C ATOM 698 C PHE A 42 -6.657 -11.292 -1.602 1.00 0.00 C ATOM 699 O PHE A 42 -7.049 -12.228 -0.903 1.00 0.00 O ATOM 700 CB PHE A 42 -6.956 -8.804 -1.937 1.00 0.00 C ATOM 701 CG PHE A 42 -7.755 -7.729 -2.614 1.00 0.00 C ATOM 702 CD1 PHE A 42 -8.021 -7.806 -3.973 1.00 0.00 C ATOM 703 CD2 PHE A 42 -8.242 -6.651 -1.899 1.00 0.00 C ATOM 704 CE1 PHE A 42 -8.763 -6.826 -4.603 1.00 0.00 C ATOM 705 CE2 PHE A 42 -8.985 -5.668 -2.524 1.00 0.00 C ATOM 706 CZ PHE A 42 -9.243 -5.756 -3.878 1.00 0.00 C ATOM 0 H PHE A 42 -8.727 -9.835 -0.296 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.876 -10.361 -3.076 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.821 -8.543 -0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.963 -8.849 -2.385 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.644 -8.641 -4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.040 -6.576 -0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.967 -6.898 -5.661 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.364 -4.832 -1.955 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.821 -4.987 -4.369 1.00 0.00 H new ATOM 716 N ASP A 43 -5.408 -11.191 -2.032 1.00 0.00 N ATOM 717 CA ASP A 43 -4.434 -12.256 -1.835 1.00 0.00 C ATOM 718 C ASP A 43 -3.138 -11.683 -1.289 1.00 0.00 C ATOM 719 O ASP A 43 -2.948 -10.469 -1.292 1.00 0.00 O ATOM 720 CB ASP A 43 -4.137 -12.959 -3.164 1.00 0.00 C ATOM 721 CG ASP A 43 -5.383 -13.439 -3.880 1.00 0.00 C ATOM 722 OD1 ASP A 43 -6.066 -12.604 -4.515 1.00 0.00 O ATOM 723 OD2 ASP A 43 -5.669 -14.650 -3.832 1.00 0.00 O ATOM 0 H ASP A 43 -5.042 -10.376 -2.524 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.851 -12.972 -1.127 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.593 -12.275 -3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.482 -13.811 -2.978 1.00 0.00 H new ATOM 728 N HIS A 44 -2.238 -12.557 -0.859 1.00 0.00 N ATOM 729 CA HIS A 44 -0.930 -12.130 -0.372 1.00 0.00 C ATOM 730 C HIS A 44 -0.077 -11.633 -1.534 1.00 0.00 C ATOM 731 O HIS A 44 0.751 -10.735 -1.375 1.00 0.00 O ATOM 732 CB HIS A 44 -0.216 -13.273 0.359 1.00 0.00 C ATOM 733 CG HIS A 44 -0.820 -13.622 1.691 1.00 0.00 C ATOM 734 ND1 HIS A 44 -0.108 -13.598 2.871 1.00 0.00 N ATOM 735 CD2 HIS A 44 -2.070 -14.021 2.023 1.00 0.00 C ATOM 736 CE1 HIS A 44 -0.894 -13.962 3.867 1.00 0.00 C ATOM 737 NE2 HIS A 44 -2.088 -14.224 3.380 1.00 0.00 N ATOM 0 H HIS A 44 -2.388 -13.566 -0.837 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.078 -11.315 0.336 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.227 -14.159 -0.276 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.829 -12.999 0.506 1.00 0.00 H new ATOM 0 HD1 HIS A 44 0.874 -13.339 2.961 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.900 -14.155 1.345 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.606 -14.033 4.905 1.00 0.00 H new ATOM 746 N ALA A 45 -0.287 -12.223 -2.707 1.00 0.00 N ATOM 747 CA ALA A 45 0.362 -11.758 -3.924 1.00 0.00 C ATOM 748 C ALA A 45 -0.197 -10.401 -4.325 1.00 0.00 C ATOM 749 O ALA A 45 0.539 -9.513 -4.757 1.00 0.00 O ATOM 750 CB ALA A 45 0.180 -12.763 -5.051 1.00 0.00 C ATOM 0 H ALA A 45 -0.903 -13.025 -2.838 1.00 0.00 H new ATOM 0 HA ALA A 45 1.430 -11.657 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.673 -12.394 -5.950 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.619 -13.718 -4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.883 -12.898 -5.250 1.00 0.00 H new ATOM 756 N HIS A 46 -1.508 -10.246 -4.166 1.00 0.00 N ATOM 757 CA HIS A 46 -2.162 -8.968 -4.409 1.00 0.00 C ATOM 758 C HIS A 46 -1.698 -7.923 -3.399 1.00 0.00 C ATOM 759 O HIS A 46 -1.681 -6.735 -3.702 1.00 0.00 O ATOM 760 CB HIS A 46 -3.689 -9.110 -4.371 1.00 0.00 C ATOM 761 CG HIS A 46 -4.303 -9.435 -5.700 1.00 0.00 C ATOM 762 ND1 HIS A 46 -5.170 -10.492 -5.906 1.00 0.00 N ATOM 763 CD2 HIS A 46 -4.191 -8.809 -6.895 1.00 0.00 C ATOM 764 CE1 HIS A 46 -5.559 -10.497 -7.167 1.00 0.00 C ATOM 765 NE2 HIS A 46 -4.979 -9.487 -7.787 1.00 0.00 N ATOM 0 H HIS A 46 -2.138 -10.992 -3.869 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.879 -8.634 -5.407 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.954 -9.892 -3.659 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.121 -8.181 -4.000 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -5.463 -11.162 -5.195 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.591 -7.936 -7.106 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.237 -11.208 -7.616 1.00 0.00 H new ATOM 774 N THR A 47 -1.332 -8.368 -2.195 1.00 0.00 N ATOM 775 CA THR A 47 -0.682 -7.493 -1.226 1.00 0.00 C ATOM 776 C THR A 47 0.559 -6.871 -1.848 1.00 0.00 C ATOM 777 O THR A 47 0.671 -5.651 -1.951 1.00 0.00 O ATOM 778 CB THR A 47 -0.257 -8.256 0.048 1.00 0.00 C ATOM 779 OG1 THR A 47 -1.407 -8.777 0.726 1.00 0.00 O ATOM 780 CG2 THR A 47 0.546 -7.355 0.982 1.00 0.00 C ATOM 0 H THR A 47 -1.475 -9.325 -1.872 1.00 0.00 H new ATOM 0 HA THR A 47 -1.405 -6.726 -0.948 1.00 0.00 H new ATOM 0 HB THR A 47 0.380 -9.088 -0.253 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.913 -9.353 0.116 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.833 -7.916 1.871 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.442 -7.005 0.469 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.062 -6.499 1.274 1.00 0.00 H new ATOM 788 N ARG A 48 1.470 -7.736 -2.283 1.00 0.00 N ATOM 789 CA ARG A 48 2.712 -7.313 -2.916 1.00 0.00 C ATOM 790 C ARG A 48 2.422 -6.355 -4.061 1.00 0.00 C ATOM 791 O ARG A 48 3.043 -5.304 -4.181 1.00 0.00 O ATOM 792 CB ARG A 48 3.455 -8.535 -3.455 1.00 0.00 C ATOM 793 CG ARG A 48 4.852 -8.235 -3.970 1.00 0.00 C ATOM 794 CD ARG A 48 5.443 -9.445 -4.671 1.00 0.00 C ATOM 795 NE ARG A 48 6.898 -9.387 -4.746 1.00 0.00 N ATOM 796 CZ ARG A 48 7.600 -9.656 -5.839 1.00 0.00 C ATOM 797 NH1 ARG A 48 6.987 -9.881 -6.996 1.00 0.00 N ATOM 798 NH2 ARG A 48 8.921 -9.682 -5.776 1.00 0.00 N ATOM 0 H ARG A 48 1.367 -8.748 -2.206 1.00 0.00 H new ATOM 0 HA ARG A 48 3.328 -6.804 -2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.524 -9.283 -2.665 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.869 -8.976 -4.261 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.816 -7.392 -4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.494 -7.941 -3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.145 -10.350 -4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.032 -9.515 -5.678 1.00 0.00 H new ATOM 0 HE ARG A 48 7.409 -9.123 -3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.969 -9.848 -7.049 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.534 -10.087 -7.832 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.393 -9.496 -4.891 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.467 -9.888 -6.612 1.00 0.00 H new ATOM 812 N GLU A 49 1.459 -6.736 -4.885 1.00 0.00 N ATOM 813 CA GLU A 49 1.074 -5.958 -6.051 1.00 0.00 C ATOM 814 C GLU A 49 0.559 -4.574 -5.658 1.00 0.00 C ATOM 815 O GLU A 49 1.030 -3.565 -6.175 1.00 0.00 O ATOM 816 CB GLU A 49 0.012 -6.720 -6.838 1.00 0.00 C ATOM 817 CG GLU A 49 -0.393 -6.059 -8.141 1.00 0.00 C ATOM 818 CD GLU A 49 -1.259 -6.964 -8.982 1.00 0.00 C ATOM 819 OE1 GLU A 49 -2.491 -6.947 -8.808 1.00 0.00 O ATOM 820 OE2 GLU A 49 -0.701 -7.724 -9.802 1.00 0.00 O ATOM 0 H GLU A 49 0.922 -7.595 -4.764 1.00 0.00 H new ATOM 0 HA GLU A 49 1.956 -5.810 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.385 -7.722 -7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.873 -6.836 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.931 -5.135 -7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.500 -5.785 -8.703 1.00 0.00 H new ATOM 827 N PHE A 50 -0.394 -4.529 -4.734 1.00 0.00 N ATOM 828 CA PHE A 50 -0.999 -3.265 -4.325 1.00 0.00 C ATOM 829 C PHE A 50 -0.019 -2.395 -3.549 1.00 0.00 C ATOM 830 O PHE A 50 0.018 -1.178 -3.736 1.00 0.00 O ATOM 831 CB PHE A 50 -2.262 -3.507 -3.498 1.00 0.00 C ATOM 832 CG PHE A 50 -3.429 -3.980 -4.316 1.00 0.00 C ATOM 833 CD1 PHE A 50 -3.576 -3.569 -5.632 1.00 0.00 C ATOM 834 CD2 PHE A 50 -4.378 -4.831 -3.775 1.00 0.00 C ATOM 835 CE1 PHE A 50 -4.649 -3.993 -6.391 1.00 0.00 C ATOM 836 CE2 PHE A 50 -5.454 -5.257 -4.529 1.00 0.00 C ATOM 837 CZ PHE A 50 -5.588 -4.838 -5.840 1.00 0.00 C ATOM 0 H PHE A 50 -0.764 -5.350 -4.255 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.273 -2.730 -5.234 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.046 -4.245 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.536 -2.583 -2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.842 -2.909 -6.069 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.276 -5.165 -2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.752 -3.663 -7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.190 -5.917 -4.095 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.427 -5.173 -6.431 1.00 0.00 H new ATOM 847 N ILE A 51 0.776 -3.012 -2.684 1.00 0.00 N ATOM 848 CA ILE A 51 1.786 -2.276 -1.937 1.00 0.00 C ATOM 849 C ILE A 51 2.803 -1.673 -2.901 1.00 0.00 C ATOM 850 O ILE A 51 3.123 -0.483 -2.830 1.00 0.00 O ATOM 851 CB ILE A 51 2.511 -3.165 -0.902 1.00 0.00 C ATOM 852 CG1 ILE A 51 1.531 -3.638 0.177 1.00 0.00 C ATOM 853 CG2 ILE A 51 3.674 -2.412 -0.267 1.00 0.00 C ATOM 854 CD1 ILE A 51 0.860 -2.508 0.932 1.00 0.00 C ATOM 0 H ILE A 51 0.742 -4.012 -2.484 1.00 0.00 H new ATOM 0 HA ILE A 51 1.275 -1.484 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 51 2.908 -4.038 -1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.764 -4.257 -0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.064 -4.270 0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.171 -3.056 0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.385 -2.121 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.299 -1.520 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.181 -2.921 1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.618 -1.901 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.298 -1.888 0.234 1.00 0.00 H new ATOM 866 N GLN A 52 3.276 -2.498 -3.829 1.00 0.00 N ATOM 867 CA GLN A 52 4.242 -2.065 -4.828 1.00 0.00 C ATOM 868 C GLN A 52 3.624 -1.035 -5.769 1.00 0.00 C ATOM 869 O GLN A 52 4.312 -0.152 -6.267 1.00 0.00 O ATOM 870 CB GLN A 52 4.750 -3.268 -5.625 1.00 0.00 C ATOM 871 CG GLN A 52 5.846 -2.929 -6.620 1.00 0.00 C ATOM 872 CD GLN A 52 7.101 -2.403 -5.954 1.00 0.00 C ATOM 873 OE1 GLN A 52 7.430 -2.775 -4.829 1.00 0.00 O ATOM 874 NE2 GLN A 52 7.808 -1.528 -6.646 1.00 0.00 N ATOM 0 H GLN A 52 3.002 -3.477 -3.909 1.00 0.00 H new ATOM 0 HA GLN A 52 5.082 -1.599 -4.313 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.124 -4.020 -4.930 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.913 -3.716 -6.160 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.093 -3.819 -7.199 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.474 -2.184 -7.324 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.500 -1.246 -7.577 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.662 -1.135 -6.250 1.00 0.00 H new ATOM 883 N SER A 53 2.321 -1.152 -6.005 1.00 0.00 N ATOM 884 CA SER A 53 1.607 -0.214 -6.863 1.00 0.00 C ATOM 885 C SER A 53 1.670 1.196 -6.274 1.00 0.00 C ATOM 886 O SER A 53 1.855 2.179 -6.999 1.00 0.00 O ATOM 887 CB SER A 53 0.149 -0.662 -7.032 1.00 0.00 C ATOM 888 OG SER A 53 -0.483 -0.014 -8.126 1.00 0.00 O ATOM 0 H SER A 53 1.737 -1.890 -5.612 1.00 0.00 H new ATOM 0 HA SER A 53 2.083 -0.199 -7.843 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.116 -1.741 -7.182 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.404 -0.450 -6.117 1.00 0.00 H new ATOM 0 HG SER A 53 -1.409 -0.327 -8.201 1.00 0.00 H new ATOM 894 N PHE A 54 1.541 1.293 -4.954 1.00 0.00 N ATOM 895 CA PHE A 54 1.616 2.582 -4.282 1.00 0.00 C ATOM 896 C PHE A 54 3.044 3.119 -4.340 1.00 0.00 C ATOM 897 O PHE A 54 3.263 4.324 -4.423 1.00 0.00 O ATOM 898 CB PHE A 54 1.149 2.467 -2.830 1.00 0.00 C ATOM 899 CG PHE A 54 0.903 3.798 -2.172 1.00 0.00 C ATOM 900 CD1 PHE A 54 1.925 4.466 -1.520 1.00 0.00 C ATOM 901 CD2 PHE A 54 -0.355 4.380 -2.212 1.00 0.00 C ATOM 902 CE1 PHE A 54 1.700 5.690 -0.918 1.00 0.00 C ATOM 903 CE2 PHE A 54 -0.586 5.604 -1.612 1.00 0.00 C ATOM 904 CZ PHE A 54 0.444 6.260 -0.964 1.00 0.00 C ATOM 0 H PHE A 54 1.385 0.499 -4.334 1.00 0.00 H new ATOM 0 HA PHE A 54 0.954 3.279 -4.796 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.232 1.879 -2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.899 1.921 -2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.910 4.026 -1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.163 3.872 -2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.507 6.200 -0.412 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.570 6.047 -1.650 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.266 7.216 -0.495 1.00 0.00 H new ATOM 914 N ILE A 55 4.011 2.214 -4.303 1.00 0.00 N ATOM 915 CA ILE A 55 5.412 2.588 -4.445 1.00 0.00 C ATOM 916 C ILE A 55 5.696 3.022 -5.883 1.00 0.00 C ATOM 917 O ILE A 55 6.485 3.932 -6.129 1.00 0.00 O ATOM 918 CB ILE A 55 6.349 1.419 -4.058 1.00 0.00 C ATOM 919 CG1 ILE A 55 6.064 0.961 -2.623 1.00 0.00 C ATOM 920 CG2 ILE A 55 7.809 1.828 -4.206 1.00 0.00 C ATOM 921 CD1 ILE A 55 6.880 -0.239 -2.193 1.00 0.00 C ATOM 0 H ILE A 55 3.852 1.215 -4.176 1.00 0.00 H new ATOM 0 HA ILE A 55 5.606 3.420 -3.768 1.00 0.00 H new ATOM 0 HB ILE A 55 6.157 0.586 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.263 1.788 -1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.005 0.720 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.451 0.992 -3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.005 2.109 -5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.017 2.677 -3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.624 -0.505 -1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.663 -1.081 -2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.941 0.003 -2.251 1.00 0.00 H new ATOM 933 N GLU A 56 5.024 2.376 -6.826 1.00 0.00 N ATOM 934 CA GLU A 56 5.180 2.681 -8.244 1.00 0.00 C ATOM 935 C GLU A 56 4.596 4.057 -8.565 1.00 0.00 C ATOM 936 O GLU A 56 4.955 4.676 -9.567 1.00 0.00 O ATOM 937 CB GLU A 56 4.493 1.605 -9.088 1.00 0.00 C ATOM 938 CG GLU A 56 4.915 1.611 -10.547 1.00 0.00 C ATOM 939 CD GLU A 56 6.368 1.223 -10.730 1.00 0.00 C ATOM 940 OE1 GLU A 56 7.244 2.107 -10.633 1.00 0.00 O ATOM 941 OE2 GLU A 56 6.641 0.031 -10.970 1.00 0.00 O ATOM 0 H GLU A 56 4.358 1.628 -6.632 1.00 0.00 H new ATOM 0 HA GLU A 56 6.243 2.695 -8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.711 0.626 -8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.414 1.745 -9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.284 0.921 -11.108 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.752 2.604 -10.966 1.00 0.00 H new ATOM 948 N ARG A 57 3.691 4.523 -7.706 1.00 0.00 N ATOM 949 CA ARG A 57 3.126 5.871 -7.812 1.00 0.00 C ATOM 950 C ARG A 57 4.243 6.917 -7.824 1.00 0.00 C ATOM 951 O ARG A 57 4.107 7.986 -8.422 1.00 0.00 O ATOM 952 CB ARG A 57 2.179 6.124 -6.635 1.00 0.00 C ATOM 953 CG ARG A 57 1.464 7.465 -6.670 1.00 0.00 C ATOM 954 CD ARG A 57 0.702 7.703 -5.376 1.00 0.00 C ATOM 955 NE ARG A 57 -0.123 8.909 -5.421 1.00 0.00 N ATOM 956 CZ ARG A 57 -0.298 9.728 -4.383 1.00 0.00 C ATOM 957 NH1 ARG A 57 0.400 9.546 -3.266 1.00 0.00 N ATOM 958 NH2 ARG A 57 -1.150 10.744 -4.471 1.00 0.00 N ATOM 0 H ARG A 57 3.329 3.982 -6.921 1.00 0.00 H new ATOM 0 HA ARG A 57 2.569 5.951 -8.745 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.432 5.330 -6.610 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.748 6.055 -5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.188 8.265 -6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.775 7.493 -7.514 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.068 6.841 -5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.410 7.783 -4.551 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.592 9.137 -6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.070 8.780 -3.202 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.265 10.173 -2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.672 10.899 -5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.282 11.369 -3.676 1.00 0.00 H new ATOM 972 N ASP A 58 5.350 6.581 -7.168 1.00 0.00 N ATOM 973 CA ASP A 58 6.536 7.433 -7.127 1.00 0.00 C ATOM 974 C ASP A 58 7.039 7.748 -8.530 1.00 0.00 C ATOM 975 O ASP A 58 7.477 8.863 -8.809 1.00 0.00 O ATOM 976 CB ASP A 58 7.637 6.734 -6.325 1.00 0.00 C ATOM 977 CG ASP A 58 9.014 7.321 -6.559 1.00 0.00 C ATOM 978 OD1 ASP A 58 9.717 6.836 -7.474 1.00 0.00 O ATOM 979 OD2 ASP A 58 9.404 8.233 -5.806 1.00 0.00 O ATOM 0 H ASP A 58 5.451 5.709 -6.649 1.00 0.00 H new ATOM 0 HA ASP A 58 6.268 8.374 -6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.399 6.796 -5.263 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.651 5.676 -6.587 1.00 0.00 H new ATOM 984 N ASP A 59 6.936 6.772 -9.424 1.00 0.00 N ATOM 985 CA ASP A 59 7.455 6.925 -10.776 1.00 0.00 C ATOM 986 C ASP A 59 6.632 7.952 -11.548 1.00 0.00 C ATOM 987 O ASP A 59 7.070 8.473 -12.571 1.00 0.00 O ATOM 988 CB ASP A 59 7.461 5.583 -11.508 1.00 0.00 C ATOM 989 CG ASP A 59 8.291 5.628 -12.774 1.00 0.00 C ATOM 990 OD1 ASP A 59 9.530 5.714 -12.674 1.00 0.00 O ATOM 991 OD2 ASP A 59 7.711 5.591 -13.876 1.00 0.00 O ATOM 0 H ASP A 59 6.499 5.869 -9.237 1.00 0.00 H new ATOM 0 HA ASP A 59 8.483 7.282 -10.711 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.853 4.811 -10.846 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.438 5.301 -11.756 1.00 0.00 H new ATOM 996 N THR A 60 5.443 8.253 -11.037 1.00 0.00 N ATOM 997 CA THR A 60 4.597 9.281 -11.622 1.00 0.00 C ATOM 998 C THR A 60 5.125 10.667 -11.248 1.00 0.00 C ATOM 999 O THR A 60 5.081 11.604 -12.050 1.00 0.00 O ATOM 1000 CB THR A 60 3.137 9.141 -11.145 1.00 0.00 C ATOM 1001 OG1 THR A 60 2.661 7.812 -11.403 1.00 0.00 O ATOM 1002 CG2 THR A 60 2.229 10.149 -11.839 1.00 0.00 C ATOM 0 H THR A 60 5.044 7.797 -10.216 1.00 0.00 H new ATOM 0 HA THR A 60 4.619 9.158 -12.705 1.00 0.00 H new ATOM 0 HB THR A 60 3.115 9.338 -10.073 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.734 7.731 -11.096 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.207 10.025 -11.481 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.571 11.160 -11.617 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.259 9.984 -12.916 1.00 0.00 H new ATOM 1010 N GLU A 61 5.641 10.781 -10.030 1.00 0.00 N ATOM 1011 CA GLU A 61 6.221 12.026 -9.554 1.00 0.00 C ATOM 1012 C GLU A 61 7.615 12.194 -10.143 1.00 0.00 C ATOM 1013 O GLU A 61 8.007 13.287 -10.560 1.00 0.00 O ATOM 1014 CB GLU A 61 6.289 12.027 -8.024 1.00 0.00 C ATOM 1015 CG GLU A 61 4.944 11.770 -7.360 1.00 0.00 C ATOM 1016 CD GLU A 61 5.041 11.682 -5.850 1.00 0.00 C ATOM 1017 OE1 GLU A 61 5.346 10.590 -5.331 1.00 0.00 O ATOM 1018 OE2 GLU A 61 4.797 12.703 -5.172 1.00 0.00 O ATOM 0 H GLU A 61 5.668 10.020 -9.352 1.00 0.00 H new ATOM 0 HA GLU A 61 5.594 12.859 -9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.998 11.266 -7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.675 12.988 -7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.253 12.569 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.524 10.841 -7.747 1.00 0.00 H new ATOM 1025 N LEU A 62 8.351 11.090 -10.189 1.00 0.00 N ATOM 1026 CA LEU A 62 9.687 11.067 -10.768 1.00 0.00 C ATOM 1027 C LEU A 62 9.627 11.353 -12.267 1.00 0.00 C ATOM 1028 O LEU A 62 10.565 11.905 -12.838 1.00 0.00 O ATOM 1029 CB LEU A 62 10.345 9.709 -10.508 1.00 0.00 C ATOM 1030 CG LEU A 62 11.813 9.594 -10.925 1.00 0.00 C ATOM 1031 CD1 LEU A 62 12.666 10.613 -10.185 1.00 0.00 C ATOM 1032 CD2 LEU A 62 12.324 8.185 -10.668 1.00 0.00 C ATOM 0 H LEU A 62 8.039 10.189 -9.827 1.00 0.00 H new ATOM 0 HA LEU A 62 10.287 11.845 -10.297 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.270 9.487 -9.443 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.775 8.943 -11.034 1.00 0.00 H new ATOM 0 HG LEU A 62 11.885 9.803 -11.992 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.705 10.513 -10.497 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.313 11.618 -10.415 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.591 10.439 -9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.369 8.117 -10.969 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.236 7.954 -9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.733 7.473 -11.244 1.00 0.00 H new ATOM 1044 N ASP A 63 8.507 10.982 -12.889 1.00 0.00 N ATOM 1045 CA ASP A 63 8.270 11.247 -14.309 1.00 0.00 C ATOM 1046 C ASP A 63 8.453 12.724 -14.630 1.00 0.00 C ATOM 1047 O ASP A 63 9.038 13.080 -15.651 1.00 0.00 O ATOM 1048 CB ASP A 63 6.858 10.809 -14.703 1.00 0.00 C ATOM 1049 CG ASP A 63 6.479 11.259 -16.100 1.00 0.00 C ATOM 1050 OD1 ASP A 63 6.913 10.617 -17.076 1.00 0.00 O ATOM 1051 OD2 ASP A 63 5.742 12.261 -16.227 1.00 0.00 O ATOM 0 H ASP A 63 7.742 10.492 -12.426 1.00 0.00 H new ATOM 0 HA ASP A 63 9.000 10.674 -14.881 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.788 9.723 -14.643 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.142 11.214 -13.988 1.00 0.00 H new ATOM 1056 N GLU A 64 7.954 13.577 -13.745 1.00 0.00 N ATOM 1057 CA GLU A 64 8.131 15.013 -13.887 1.00 0.00 C ATOM 1058 C GLU A 64 9.607 15.369 -13.985 1.00 0.00 C ATOM 1059 O GLU A 64 10.016 16.130 -14.857 1.00 0.00 O ATOM 1060 CB GLU A 64 7.492 15.746 -12.708 1.00 0.00 C ATOM 1061 CG GLU A 64 6.022 16.063 -12.920 1.00 0.00 C ATOM 1062 CD GLU A 64 5.822 17.086 -14.018 1.00 0.00 C ATOM 1063 OE1 GLU A 64 5.877 18.300 -13.719 1.00 0.00 O ATOM 1064 OE2 GLU A 64 5.628 16.687 -15.183 1.00 0.00 O ATOM 0 H GLU A 64 7.423 13.297 -12.920 1.00 0.00 H new ATOM 0 HA GLU A 64 7.639 15.327 -14.808 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.599 15.137 -11.810 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.034 16.675 -12.530 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.485 15.149 -13.173 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.593 16.438 -11.991 1.00 0.00 H new ATOM 1071 N LEU A 65 10.408 14.784 -13.108 1.00 0.00 N ATOM 1072 CA LEU A 65 11.833 15.073 -13.061 1.00 0.00 C ATOM 1073 C LEU A 65 12.553 14.469 -14.265 1.00 0.00 C ATOM 1074 O LEU A 65 13.612 14.948 -14.669 1.00 0.00 O ATOM 1075 CB LEU A 65 12.428 14.551 -11.754 1.00 0.00 C ATOM 1076 CG LEU A 65 11.797 15.141 -10.491 1.00 0.00 C ATOM 1077 CD1 LEU A 65 12.437 14.551 -9.248 1.00 0.00 C ATOM 1078 CD2 LEU A 65 11.926 16.657 -10.487 1.00 0.00 C ATOM 0 H LEU A 65 10.094 14.103 -12.416 1.00 0.00 H new ATOM 0 HA LEU A 65 11.970 16.154 -13.101 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.319 13.467 -11.727 1.00 0.00 H new ATOM 0 HB3 LEU A 65 13.497 14.764 -11.745 1.00 0.00 H new ATOM 0 HG LEU A 65 10.737 14.885 -10.487 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.975 14.983 -8.361 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.293 13.471 -9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.504 14.775 -9.247 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.472 17.058 -9.581 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.980 16.933 -10.517 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.419 17.068 -11.360 1.00 0.00 H new ATOM 1267 N PRO A 75 17.093 18.893 -11.631 1.00 0.00 N ATOM 1268 CA PRO A 75 17.151 18.918 -10.171 1.00 0.00 C ATOM 1269 C PRO A 75 17.825 17.681 -9.601 1.00 0.00 C ATOM 1270 O PRO A 75 17.154 16.708 -9.258 1.00 0.00 O ATOM 1271 CB PRO A 75 15.684 18.940 -9.730 1.00 0.00 C ATOM 1272 CG PRO A 75 14.894 19.221 -10.968 1.00 0.00 C ATOM 1273 CD PRO A 75 15.719 18.715 -12.115 1.00 0.00 C ATOM 0 HA PRO A 75 17.730 19.772 -9.820 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.394 17.987 -9.288 1.00 0.00 H new ATOM 0 HB3 PRO A 75 15.514 19.707 -8.974 1.00 0.00 H new ATOM 0 HG2 PRO A 75 13.926 18.721 -10.934 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.698 20.288 -11.071 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.502 17.671 -12.340 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.535 19.283 -13.027 1.00 0.00 H new ATOM 1281 N SER A 76 19.144 17.708 -9.528 1.00 0.00 N ATOM 1282 CA SER A 76 19.891 16.611 -8.943 1.00 0.00 C ATOM 1283 C SER A 76 19.464 16.394 -7.497 1.00 0.00 C ATOM 1284 O SER A 76 19.144 15.278 -7.092 1.00 0.00 O ATOM 1285 CB SER A 76 21.387 16.907 -9.028 1.00 0.00 C ATOM 1286 OG SER A 76 21.658 18.251 -8.659 1.00 0.00 O ATOM 0 H SER A 76 19.719 18.479 -9.867 1.00 0.00 H new ATOM 0 HA SER A 76 19.683 15.696 -9.498 1.00 0.00 H new ATOM 0 HB2 SER A 76 21.934 16.228 -8.374 1.00 0.00 H new ATOM 0 HB3 SER A 76 21.741 16.726 -10.043 1.00 0.00 H new ATOM 0 HG SER A 76 22.622 18.419 -8.719 1.00 0.00 H new ATOM 1292 N ASN A 77 19.431 17.481 -6.738 1.00 0.00 N ATOM 1293 CA ASN A 77 19.017 17.445 -5.340 1.00 0.00 C ATOM 1294 C ASN A 77 17.623 16.846 -5.196 1.00 0.00 C ATOM 1295 O ASN A 77 17.434 15.851 -4.497 1.00 0.00 O ATOM 1296 CB ASN A 77 19.028 18.858 -4.751 1.00 0.00 C ATOM 1297 CG ASN A 77 20.401 19.499 -4.788 1.00 0.00 C ATOM 1298 OD1 ASN A 77 20.775 20.139 -5.771 1.00 0.00 O ATOM 1299 ND2 ASN A 77 21.155 19.342 -3.711 1.00 0.00 N ATOM 0 H ASN A 77 19.689 18.410 -7.071 1.00 0.00 H new ATOM 0 HA ASN A 77 19.723 16.817 -4.797 1.00 0.00 H new ATOM 0 HB2 ASN A 77 18.326 19.482 -5.303 1.00 0.00 H new ATOM 0 HB3 ASN A 77 18.678 18.820 -3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 77 22.085 19.759 -3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 77 20.806 18.804 -2.918 1.00 0.00 H new ATOM 1306 N ARG A 78 16.659 17.450 -5.882 1.00 0.00 N ATOM 1307 CA ARG A 78 15.258 17.046 -5.782 1.00 0.00 C ATOM 1308 C ARG A 78 15.056 15.601 -6.235 1.00 0.00 C ATOM 1309 O ARG A 78 14.376 14.823 -5.568 1.00 0.00 O ATOM 1310 CB ARG A 78 14.392 17.974 -6.631 1.00 0.00 C ATOM 1311 CG ARG A 78 12.908 17.859 -6.345 1.00 0.00 C ATOM 1312 CD ARG A 78 12.089 18.697 -7.315 1.00 0.00 C ATOM 1313 NE ARG A 78 12.646 20.039 -7.500 1.00 0.00 N ATOM 1314 CZ ARG A 78 12.255 21.116 -6.815 1.00 0.00 C ATOM 1315 NH1 ARG A 78 11.355 21.006 -5.845 1.00 0.00 N ATOM 1316 NH2 ARG A 78 12.784 22.300 -7.095 1.00 0.00 N ATOM 0 H ARG A 78 16.823 18.229 -6.520 1.00 0.00 H new ATOM 0 HA ARG A 78 14.963 17.116 -4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.706 19.004 -6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.567 17.756 -7.685 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.602 16.815 -6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.707 18.182 -5.323 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.042 18.190 -8.279 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.066 18.778 -6.947 1.00 0.00 H new ATOM 0 HE ARG A 78 13.380 20.158 -8.198 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.958 20.094 -5.619 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.061 21.833 -5.326 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.486 22.384 -7.830 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.489 23.126 -6.575 1.00 0.00 H new ATOM 1330 N GLN A 79 15.651 15.252 -7.368 1.00 0.00 N ATOM 1331 CA GLN A 79 15.501 13.918 -7.940 1.00 0.00 C ATOM 1332 C GLN A 79 16.070 12.859 -7.011 1.00 0.00 C ATOM 1333 O GLN A 79 15.416 11.855 -6.727 1.00 0.00 O ATOM 1334 CB GLN A 79 16.191 13.850 -9.302 1.00 0.00 C ATOM 1335 CG GLN A 79 16.215 12.464 -9.921 1.00 0.00 C ATOM 1336 CD GLN A 79 16.959 12.446 -11.239 1.00 0.00 C ATOM 1337 OE1 GLN A 79 18.172 12.243 -11.279 1.00 0.00 O ATOM 1338 NE2 GLN A 79 16.237 12.654 -12.328 1.00 0.00 N ATOM 0 H GLN A 79 16.245 15.877 -7.912 1.00 0.00 H new ATOM 0 HA GLN A 79 14.437 13.720 -8.069 1.00 0.00 H new ATOM 0 HB2 GLN A 79 15.687 14.532 -9.986 1.00 0.00 H new ATOM 0 HB3 GLN A 79 17.216 14.205 -9.195 1.00 0.00 H new ATOM 0 HG2 GLN A 79 16.686 11.766 -9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 79 15.193 12.118 -10.077 1.00 0.00 H new ATOM 0 HE21 GLN A 79 15.233 12.818 -12.251 1.00 0.00 H new ATOM 0 HE22 GLN A 79 16.684 12.650 -13.245 1.00 0.00 H new ATOM 1347 N VAL A 80 17.278 13.092 -6.525 1.00 0.00 N ATOM 1348 CA VAL A 80 17.925 12.133 -5.641 1.00 0.00 C ATOM 1349 C VAL A 80 17.162 12.027 -4.323 1.00 0.00 C ATOM 1350 O VAL A 80 16.986 10.936 -3.788 1.00 0.00 O ATOM 1351 CB VAL A 80 19.405 12.493 -5.374 1.00 0.00 C ATOM 1352 CG1 VAL A 80 20.029 11.537 -4.369 1.00 0.00 C ATOM 1353 CG2 VAL A 80 20.196 12.474 -6.674 1.00 0.00 C ATOM 0 H VAL A 80 17.827 13.928 -6.724 1.00 0.00 H new ATOM 0 HA VAL A 80 17.910 11.167 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 80 19.436 13.498 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 80 21.070 11.814 -4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.482 11.591 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.983 10.520 -4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 80 21.236 12.729 -6.471 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.146 11.479 -7.116 1.00 0.00 H new ATOM 0 HG23 VAL A 80 19.773 13.200 -7.368 1.00 0.00 H new ATOM 1363 N LEU A 81 16.681 13.161 -3.821 1.00 0.00 N ATOM 1364 CA LEU A 81 15.916 13.181 -2.580 1.00 0.00 C ATOM 1365 C LEU A 81 14.628 12.375 -2.733 1.00 0.00 C ATOM 1366 O LEU A 81 14.279 11.569 -1.869 1.00 0.00 O ATOM 1367 CB LEU A 81 15.595 14.624 -2.179 1.00 0.00 C ATOM 1368 CG LEU A 81 14.940 14.795 -0.808 1.00 0.00 C ATOM 1369 CD1 LEU A 81 15.854 14.272 0.288 1.00 0.00 C ATOM 1370 CD2 LEU A 81 14.598 16.257 -0.564 1.00 0.00 C ATOM 0 H LEU A 81 16.808 14.076 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 81 16.518 12.725 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.519 15.202 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.936 15.055 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 81 14.017 14.216 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.372 14.402 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.054 13.214 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.793 14.825 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.132 16.363 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.509 16.855 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.907 16.602 -1.333 1.00 0.00 H new ATOM 1382 N LEU A 82 13.937 12.592 -3.846 1.00 0.00 N ATOM 1383 CA LEU A 82 12.711 11.867 -4.152 1.00 0.00 C ATOM 1384 C LEU A 82 12.982 10.367 -4.265 1.00 0.00 C ATOM 1385 O LEU A 82 12.304 9.551 -3.636 1.00 0.00 O ATOM 1386 CB LEU A 82 12.103 12.394 -5.457 1.00 0.00 C ATOM 1387 CG LEU A 82 10.852 11.660 -5.949 1.00 0.00 C ATOM 1388 CD1 LEU A 82 9.704 11.820 -4.964 1.00 0.00 C ATOM 1389 CD2 LEU A 82 10.445 12.167 -7.322 1.00 0.00 C ATOM 0 H LEU A 82 14.209 13.271 -4.557 1.00 0.00 H new ATOM 0 HA LEU A 82 12.003 12.026 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.855 13.447 -5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.863 12.343 -6.237 1.00 0.00 H new ATOM 0 HG LEU A 82 11.090 10.599 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.828 11.289 -5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.994 11.408 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.467 12.878 -4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.555 11.635 -7.657 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.231 13.234 -7.267 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.257 11.996 -8.029 1.00 0.00 H new ATOM 1401 N GLN A 83 13.995 10.016 -5.049 1.00 0.00 N ATOM 1402 CA GLN A 83 14.341 8.621 -5.289 1.00 0.00 C ATOM 1403 C GLN A 83 14.771 7.923 -3.997 1.00 0.00 C ATOM 1404 O GLN A 83 14.446 6.756 -3.779 1.00 0.00 O ATOM 1405 CB GLN A 83 15.443 8.524 -6.348 1.00 0.00 C ATOM 1406 CG GLN A 83 15.826 7.097 -6.708 1.00 0.00 C ATOM 1407 CD GLN A 83 16.785 7.026 -7.880 1.00 0.00 C ATOM 1408 OE1 GLN A 83 16.756 7.869 -8.778 1.00 0.00 O ATOM 1409 NE2 GLN A 83 17.650 6.027 -7.874 1.00 0.00 N ATOM 0 H GLN A 83 14.595 10.685 -5.532 1.00 0.00 H new ATOM 0 HA GLN A 83 13.452 8.111 -5.659 1.00 0.00 H new ATOM 0 HB2 GLN A 83 15.114 9.040 -7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.328 9.047 -5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.282 6.618 -5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 83 14.925 6.533 -6.947 1.00 0.00 H new ATOM 0 HE21 GLN A 83 17.641 5.349 -7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.326 5.933 -8.632 1.00 0.00 H new ATOM 1418 N GLN A 84 15.486 8.642 -3.133 1.00 0.00 N ATOM 1419 CA GLN A 84 15.936 8.076 -1.860 1.00 0.00 C ATOM 1420 C GLN A 84 14.759 7.785 -0.936 1.00 0.00 C ATOM 1421 O GLN A 84 14.834 6.890 -0.092 1.00 0.00 O ATOM 1422 CB GLN A 84 16.938 9.002 -1.167 1.00 0.00 C ATOM 1423 CG GLN A 84 18.318 8.967 -1.799 1.00 0.00 C ATOM 1424 CD GLN A 84 19.311 9.879 -1.108 1.00 0.00 C ATOM 1425 OE1 GLN A 84 18.947 10.921 -0.559 1.00 0.00 O ATOM 1426 NE2 GLN A 84 20.573 9.490 -1.127 1.00 0.00 N ATOM 0 H GLN A 84 15.765 9.611 -3.288 1.00 0.00 H new ATOM 0 HA GLN A 84 16.436 7.133 -2.083 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.558 10.023 -1.194 1.00 0.00 H new ATOM 0 HB3 GLN A 84 17.019 8.720 -0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.696 7.945 -1.776 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.238 9.254 -2.847 1.00 0.00 H new ATOM 0 HE21 GLN A 84 20.832 8.620 -1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 84 21.289 10.059 -0.676 1.00 0.00 H new ATOM 1435 N ARG A 85 13.673 8.533 -1.097 1.00 0.00 N ATOM 1436 CA ARG A 85 12.453 8.266 -0.346 1.00 0.00 C ATOM 1437 C ARG A 85 11.930 6.887 -0.727 1.00 0.00 C ATOM 1438 O ARG A 85 11.666 6.048 0.134 1.00 0.00 O ATOM 1439 CB ARG A 85 11.387 9.324 -0.643 1.00 0.00 C ATOM 1440 CG ARG A 85 10.170 9.248 0.270 1.00 0.00 C ATOM 1441 CD ARG A 85 8.873 9.372 -0.516 1.00 0.00 C ATOM 1442 NE ARG A 85 8.535 8.126 -1.208 1.00 0.00 N ATOM 1443 CZ ARG A 85 8.606 7.951 -2.527 1.00 0.00 C ATOM 1444 NH1 ARG A 85 8.988 8.943 -3.320 1.00 0.00 N ATOM 1445 NH2 ARG A 85 8.292 6.774 -3.050 1.00 0.00 N ATOM 0 H ARG A 85 13.613 9.325 -1.737 1.00 0.00 H new ATOM 0 HA ARG A 85 12.678 8.300 0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.836 10.313 -0.552 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.060 9.216 -1.677 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.179 8.302 0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.223 10.042 1.015 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.063 9.643 0.160 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.965 10.179 -1.244 1.00 0.00 H new ATOM 0 HE ARG A 85 8.224 7.338 -0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.231 9.850 -2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.039 8.799 -4.328 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.998 6.008 -2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.344 6.634 -4.059 1.00 0.00 H new ATOM 1459 N ARG A 86 11.816 6.663 -2.032 1.00 0.00 N ATOM 1460 CA ARG A 86 11.375 5.380 -2.569 1.00 0.00 C ATOM 1461 C ARG A 86 12.334 4.272 -2.153 1.00 0.00 C ATOM 1462 O ARG A 86 11.913 3.179 -1.775 1.00 0.00 O ATOM 1463 CB ARG A 86 11.301 5.455 -4.097 1.00 0.00 C ATOM 1464 CG ARG A 86 10.807 4.180 -4.760 1.00 0.00 C ATOM 1465 CD ARG A 86 10.817 4.316 -6.272 1.00 0.00 C ATOM 1466 NE ARG A 86 10.232 3.158 -6.944 1.00 0.00 N ATOM 1467 CZ ARG A 86 9.455 3.242 -8.025 1.00 0.00 C ATOM 1468 NH1 ARG A 86 9.149 4.428 -8.541 1.00 0.00 N ATOM 1469 NH2 ARG A 86 8.980 2.137 -8.584 1.00 0.00 N ATOM 0 H ARG A 86 12.026 7.362 -2.745 1.00 0.00 H new ATOM 0 HA ARG A 86 10.386 5.155 -2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 86 10.642 6.276 -4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.291 5.694 -4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.438 3.343 -4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.797 3.955 -4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.266 5.213 -6.556 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.843 4.450 -6.614 1.00 0.00 H new ATOM 0 HE ARG A 86 10.429 2.232 -6.565 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.509 5.280 -8.110 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.554 4.486 -9.368 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.209 1.226 -8.187 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.386 2.199 -9.411 1.00 0.00 H new ATOM 1483 N ASP A 87 13.627 4.575 -2.219 1.00 0.00 N ATOM 1484 CA ASP A 87 14.671 3.623 -1.857 1.00 0.00 C ATOM 1485 C ASP A 87 14.484 3.140 -0.422 1.00 0.00 C ATOM 1486 O ASP A 87 14.563 1.940 -0.141 1.00 0.00 O ATOM 1487 CB ASP A 87 16.049 4.274 -2.016 1.00 0.00 C ATOM 1488 CG ASP A 87 17.188 3.273 -1.995 1.00 0.00 C ATOM 1489 OD1 ASP A 87 17.599 2.840 -0.895 1.00 0.00 O ATOM 1490 OD2 ASP A 87 17.690 2.925 -3.086 1.00 0.00 O ATOM 0 H ASP A 87 13.979 5.483 -2.523 1.00 0.00 H new ATOM 0 HA ASP A 87 14.602 2.763 -2.523 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.077 4.827 -2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.196 4.999 -1.215 1.00 0.00 H new ATOM 1495 N GLN A 88 14.211 4.076 0.481 1.00 0.00 N ATOM 1496 CA GLN A 88 14.022 3.741 1.884 1.00 0.00 C ATOM 1497 C GLN A 88 12.723 2.968 2.089 1.00 0.00 C ATOM 1498 O GLN A 88 12.677 2.033 2.886 1.00 0.00 O ATOM 1499 CB GLN A 88 14.031 4.994 2.761 1.00 0.00 C ATOM 1500 CG GLN A 88 14.011 4.679 4.250 1.00 0.00 C ATOM 1501 CD GLN A 88 14.049 5.916 5.122 1.00 0.00 C ATOM 1502 OE1 GLN A 88 14.607 6.945 4.743 1.00 0.00 O ATOM 1503 NE2 GLN A 88 13.463 5.819 6.306 1.00 0.00 N ATOM 0 H GLN A 88 14.116 5.068 0.266 1.00 0.00 H new ATOM 0 HA GLN A 88 14.857 3.108 2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.918 5.584 2.532 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.166 5.610 2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.113 4.107 4.482 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.864 4.045 4.492 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.011 4.947 6.582 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.463 6.616 6.942 1.00 0.00 H new ATOM 1512 N GLU A 89 11.673 3.352 1.365 1.00 0.00 N ATOM 1513 CA GLU A 89 10.395 2.647 1.447 1.00 0.00 C ATOM 1514 C GLU A 89 10.567 1.188 1.041 1.00 0.00 C ATOM 1515 O GLU A 89 9.987 0.290 1.649 1.00 0.00 O ATOM 1516 CB GLU A 89 9.339 3.309 0.560 1.00 0.00 C ATOM 1517 CG GLU A 89 8.988 4.729 0.975 1.00 0.00 C ATOM 1518 CD GLU A 89 7.869 5.320 0.140 1.00 0.00 C ATOM 1519 OE1 GLU A 89 7.811 5.043 -1.076 1.00 0.00 O ATOM 1520 OE2 GLU A 89 7.051 6.084 0.690 1.00 0.00 O ATOM 0 H GLU A 89 11.681 4.142 0.719 1.00 0.00 H new ATOM 0 HA GLU A 89 10.055 2.695 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.698 3.320 -0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.434 2.702 0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.695 4.735 2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.873 5.359 0.887 1.00 0.00 H new ATOM 1527 N LEU A 90 11.382 0.961 0.016 1.00 0.00 N ATOM 1528 CA LEU A 90 11.682 -0.390 -0.442 1.00 0.00 C ATOM 1529 C LEU A 90 12.401 -1.181 0.646 1.00 0.00 C ATOM 1530 O LEU A 90 12.158 -2.373 0.823 1.00 0.00 O ATOM 1531 CB LEU A 90 12.537 -0.350 -1.714 1.00 0.00 C ATOM 1532 CG LEU A 90 11.852 0.251 -2.945 1.00 0.00 C ATOM 1533 CD1 LEU A 90 12.825 0.323 -4.112 1.00 0.00 C ATOM 1534 CD2 LEU A 90 10.625 -0.563 -3.325 1.00 0.00 C ATOM 0 H LEU A 90 11.847 1.698 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 90 10.739 -0.887 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 90 13.441 0.222 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.851 -1.366 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 90 11.530 1.263 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.322 0.752 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 90 13.675 0.948 -3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 90 13.176 -0.680 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.152 -0.120 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.923 -1.587 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.919 -0.566 -2.495 1.00 0.00 H new ATOM 1546 N LYS A 91 13.272 -0.506 1.384 1.00 0.00 N ATOM 1547 CA LYS A 91 14.008 -1.147 2.466 1.00 0.00 C ATOM 1548 C LYS A 91 13.088 -1.397 3.660 1.00 0.00 C ATOM 1549 O LYS A 91 13.198 -2.418 4.336 1.00 0.00 O ATOM 1550 CB LYS A 91 15.207 -0.286 2.875 1.00 0.00 C ATOM 1551 CG LYS A 91 16.138 -0.966 3.862 1.00 0.00 C ATOM 1552 CD LYS A 91 17.429 -0.183 4.037 1.00 0.00 C ATOM 1553 CE LYS A 91 18.381 -0.897 4.979 1.00 0.00 C ATOM 1554 NZ LYS A 91 19.720 -0.257 5.007 1.00 0.00 N ATOM 0 H LYS A 91 13.486 0.483 1.254 1.00 0.00 H new ATOM 0 HA LYS A 91 14.380 -2.109 2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.772 -0.018 1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.843 0.643 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.638 -1.067 4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.366 -1.974 3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.908 -0.045 3.068 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.205 0.810 4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 91 17.960 -0.902 5.985 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.483 -1.938 4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.339 -0.776 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.133 -0.275 4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.627 0.729 5.325 1.00 0.00 H new ATOM 1568 N GLU A 92 12.174 -0.464 3.899 1.00 0.00 N ATOM 1569 CA GLU A 92 11.160 -0.620 4.936 1.00 0.00 C ATOM 1570 C GLU A 92 10.253 -1.802 4.592 1.00 0.00 C ATOM 1571 O GLU A 92 9.836 -2.568 5.462 1.00 0.00 O ATOM 1572 CB GLU A 92 10.340 0.671 5.047 1.00 0.00 C ATOM 1573 CG GLU A 92 9.287 0.653 6.143 1.00 0.00 C ATOM 1574 CD GLU A 92 9.883 0.599 7.533 1.00 0.00 C ATOM 1575 OE1 GLU A 92 10.173 -0.515 8.017 1.00 0.00 O ATOM 1576 OE2 GLU A 92 10.055 1.669 8.151 1.00 0.00 O ATOM 0 H GLU A 92 12.114 0.415 3.385 1.00 0.00 H new ATOM 0 HA GLU A 92 11.641 -0.815 5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 92 11.019 1.504 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.850 0.859 4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.663 1.543 6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.635 -0.209 5.999 1.00 0.00 H new ATOM 1583 N PHE A 93 9.975 -1.939 3.302 1.00 0.00 N ATOM 1584 CA PHE A 93 9.171 -3.033 2.779 1.00 0.00 C ATOM 1585 C PHE A 93 9.906 -4.362 2.943 1.00 0.00 C ATOM 1586 O PHE A 93 9.309 -5.381 3.297 1.00 0.00 O ATOM 1587 CB PHE A 93 8.864 -2.757 1.304 1.00 0.00 C ATOM 1588 CG PHE A 93 7.972 -3.767 0.644 1.00 0.00 C ATOM 1589 CD1 PHE A 93 6.721 -4.052 1.163 1.00 0.00 C ATOM 1590 CD2 PHE A 93 8.382 -4.420 -0.506 1.00 0.00 C ATOM 1591 CE1 PHE A 93 5.895 -4.968 0.547 1.00 0.00 C ATOM 1592 CE2 PHE A 93 7.559 -5.339 -1.125 1.00 0.00 C ATOM 1593 CZ PHE A 93 6.315 -5.613 -0.598 1.00 0.00 C ATOM 0 H PHE A 93 10.303 -1.290 2.586 1.00 0.00 H new ATOM 0 HA PHE A 93 8.236 -3.103 3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.399 -1.775 1.223 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.804 -2.711 0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.388 -3.551 2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 93 9.356 -4.208 -0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.920 -5.180 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.889 -5.843 -2.021 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.670 -6.332 -1.081 1.00 0.00 H new ATOM 1603 N LYS A 94 11.210 -4.335 2.695 1.00 0.00 N ATOM 1604 CA LYS A 94 12.059 -5.511 2.856 1.00 0.00 C ATOM 1605 C LYS A 94 12.145 -5.922 4.324 1.00 0.00 C ATOM 1606 O LYS A 94 12.221 -7.107 4.651 1.00 0.00 O ATOM 1607 CB LYS A 94 13.461 -5.217 2.311 1.00 0.00 C ATOM 1608 CG LYS A 94 14.444 -6.364 2.487 1.00 0.00 C ATOM 1609 CD LYS A 94 15.839 -5.971 2.036 1.00 0.00 C ATOM 1610 CE LYS A 94 16.841 -7.088 2.275 1.00 0.00 C ATOM 1611 NZ LYS A 94 16.930 -7.462 3.712 1.00 0.00 N ATOM 0 H LYS A 94 11.707 -3.503 2.378 1.00 0.00 H new ATOM 0 HA LYS A 94 11.618 -6.335 2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 94 13.385 -4.976 1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.856 -4.333 2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 94 14.470 -6.666 3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.105 -7.227 1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.821 -5.718 0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 94 16.156 -5.076 2.572 1.00 0.00 H new ATOM 0 HE2 LYS A 94 16.555 -7.962 1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 94 17.823 -6.775 1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 17.785 -8.032 3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.976 -6.600 4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 16.091 -8.015 3.979 1.00 0.00 H new ATOM 1625 N ALA A 95 12.112 -4.935 5.209 1.00 0.00 N ATOM 1626 CA ALA A 95 12.225 -5.177 6.641 1.00 0.00 C ATOM 1627 C ALA A 95 10.869 -5.515 7.256 1.00 0.00 C ATOM 1628 O ALA A 95 10.696 -5.454 8.474 1.00 0.00 O ATOM 1629 CB ALA A 95 12.825 -3.960 7.323 1.00 0.00 C ATOM 0 H ALA A 95 12.007 -3.952 4.958 1.00 0.00 H new ATOM 0 HA ALA A 95 12.881 -6.035 6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.907 -4.147 8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 95 13.815 -3.764 6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.184 -3.095 7.154 1.00 0.00 H new ATOM 1635 N GLY A 96 9.914 -5.882 6.414 1.00 0.00 N ATOM 1636 CA GLY A 96 8.589 -6.203 6.898 1.00 0.00 C ATOM 1637 C GLY A 96 7.718 -4.972 6.986 1.00 0.00 C ATOM 1638 O GLY A 96 7.636 -4.334 8.037 1.00 0.00 O ATOM 0 H GLY A 96 10.034 -5.963 5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.125 -6.932 6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.663 -6.669 7.881 1.00 0.00 H new ATOM 1642 N PHE A 97 7.072 -4.638 5.884 1.00 0.00 N ATOM 1643 CA PHE A 97 6.271 -3.427 5.800 1.00 0.00 C ATOM 1644 C PHE A 97 4.908 -3.649 6.447 1.00 0.00 C ATOM 1645 O PHE A 97 4.385 -4.763 6.430 1.00 0.00 O ATOM 1646 CB PHE A 97 6.102 -3.022 4.337 1.00 0.00 C ATOM 1647 CG PHE A 97 5.664 -1.600 4.146 1.00 0.00 C ATOM 1648 CD1 PHE A 97 6.591 -0.574 4.183 1.00 0.00 C ATOM 1649 CD2 PHE A 97 4.333 -1.291 3.925 1.00 0.00 C ATOM 1650 CE1 PHE A 97 6.199 0.738 4.006 1.00 0.00 C ATOM 1651 CE2 PHE A 97 3.934 0.017 3.749 1.00 0.00 C ATOM 1652 CZ PHE A 97 4.870 1.032 3.789 1.00 0.00 C ATOM 0 H PHE A 97 7.086 -5.192 5.028 1.00 0.00 H new ATOM 0 HA PHE A 97 6.781 -2.626 6.335 1.00 0.00 H new ATOM 0 HB2 PHE A 97 7.048 -3.173 3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 97 5.372 -3.683 3.869 1.00 0.00 H new ATOM 0 HD1 PHE A 97 7.633 -0.802 4.352 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.599 -2.083 3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.931 1.531 4.037 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.892 0.247 3.580 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.560 2.057 3.650 1.00 0.00 H new ATOM 1662 N LEU A 98 4.341 -2.594 7.015 1.00 0.00 N ATOM 1663 CA LEU A 98 3.044 -2.682 7.673 1.00 0.00 C ATOM 1664 C LEU A 98 1.929 -2.835 6.641 1.00 0.00 C ATOM 1665 O LEU A 98 1.455 -1.851 6.069 1.00 0.00 O ATOM 1666 CB LEU A 98 2.802 -1.439 8.530 1.00 0.00 C ATOM 1667 CG LEU A 98 1.564 -1.497 9.425 1.00 0.00 C ATOM 1668 CD1 LEU A 98 1.723 -2.580 10.480 1.00 0.00 C ATOM 1669 CD2 LEU A 98 1.314 -0.144 10.074 1.00 0.00 C ATOM 0 H LEU A 98 4.760 -1.664 7.034 1.00 0.00 H new ATOM 0 HA LEU A 98 3.042 -3.561 8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.677 -1.274 9.158 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.715 -0.575 7.872 1.00 0.00 H new ATOM 0 HG LEU A 98 0.700 -1.745 8.809 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.833 -2.609 11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.854 -3.546 9.993 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.596 -2.363 11.096 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.429 -0.202 10.708 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.177 0.134 10.680 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.157 0.607 9.300 1.00 0.00 H new ATOM 1681 N CYS A 99 1.546 -4.075 6.381 1.00 0.00 N ATOM 1682 CA CYS A 99 0.515 -4.377 5.399 1.00 0.00 C ATOM 1683 C CYS A 99 -0.556 -5.276 6.011 1.00 0.00 C ATOM 1684 O CYS A 99 -0.271 -6.047 6.926 1.00 0.00 O ATOM 1685 CB CYS A 99 1.133 -5.076 4.186 1.00 0.00 C ATOM 1686 SG CYS A 99 2.635 -4.292 3.561 1.00 0.00 S ATOM 0 H CYS A 99 1.938 -4.897 6.841 1.00 0.00 H new ATOM 0 HA CYS A 99 0.056 -3.440 5.083 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.360 -6.108 4.453 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.394 -5.109 3.385 1.00 0.00 H new ATOM 0 HG CYS A 99 3.195 -5.068 2.681 1.00 0.00 H new ATOM 1692 N PRO A 100 -1.807 -5.178 5.541 1.00 0.00 N ATOM 1693 CA PRO A 100 -2.864 -6.106 5.933 1.00 0.00 C ATOM 1694 C PRO A 100 -2.707 -7.461 5.245 1.00 0.00 C ATOM 1695 O PRO A 100 -2.139 -7.553 4.154 1.00 0.00 O ATOM 1696 CB PRO A 100 -4.158 -5.422 5.467 1.00 0.00 C ATOM 1697 CG PRO A 100 -3.757 -4.058 5.001 1.00 0.00 C ATOM 1698 CD PRO A 100 -2.306 -4.151 4.622 1.00 0.00 C ATOM 0 HA PRO A 100 -2.847 -6.309 7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.630 -5.986 4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.881 -5.360 6.280 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.362 -3.745 4.150 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.907 -3.319 5.788 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.176 -4.441 3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.789 -3.201 4.755 1.00 0.00 H new ATOM 1706 N ASP A 101 -3.213 -8.506 5.887 1.00 0.00 N ATOM 1707 CA ASP A 101 -3.112 -9.865 5.356 1.00 0.00 C ATOM 1708 C ASP A 101 -4.009 -10.047 4.133 1.00 0.00 C ATOM 1709 O ASP A 101 -3.742 -10.895 3.276 1.00 0.00 O ATOM 1710 CB ASP A 101 -3.495 -10.882 6.431 1.00 0.00 C ATOM 1711 CG ASP A 101 -4.946 -10.763 6.852 1.00 0.00 C ATOM 1712 OD1 ASP A 101 -5.250 -9.926 7.723 1.00 0.00 O ATOM 1713 OD2 ASP A 101 -5.785 -11.512 6.315 1.00 0.00 O ATOM 0 H ASP A 101 -3.700 -8.441 6.781 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.078 -10.030 5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.310 -11.889 6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.855 -10.743 7.302 1.00 0.00 H new ATOM 1718 N LEU A 102 -5.086 -9.262 4.086 1.00 0.00 N ATOM 1719 CA LEU A 102 -6.032 -9.261 2.968 1.00 0.00 C ATOM 1720 C LEU A 102 -6.731 -10.609 2.787 1.00 0.00 C ATOM 1721 O LEU A 102 -7.354 -10.844 1.757 1.00 0.00 O ATOM 1722 CB LEU A 102 -5.343 -8.880 1.651 1.00 0.00 C ATOM 1723 CG LEU A 102 -4.714 -7.487 1.596 1.00 0.00 C ATOM 1724 CD1 LEU A 102 -4.254 -7.191 0.179 1.00 0.00 C ATOM 1725 CD2 LEU A 102 -5.694 -6.422 2.069 1.00 0.00 C ATOM 0 H LEU A 102 -5.329 -8.605 4.827 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.784 -8.513 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.565 -9.615 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.075 -8.958 0.847 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.854 -7.468 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.806 -6.198 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -3.517 -7.933 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.109 -7.229 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.219 -5.442 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.577 -6.430 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.989 -6.630 3.098 1.00 0.00 H new ATOM 1737 N SER A 103 -6.650 -11.480 3.782 1.00 0.00 N ATOM 1738 CA SER A 103 -7.210 -12.819 3.657 1.00 0.00 C ATOM 1739 C SER A 103 -8.427 -13.001 4.557 1.00 0.00 C ATOM 1740 O SER A 103 -9.432 -13.574 4.136 1.00 0.00 O ATOM 1741 CB SER A 103 -6.142 -13.855 3.986 1.00 0.00 C ATOM 1742 OG SER A 103 -4.969 -13.619 3.226 1.00 0.00 O ATOM 0 H SER A 103 -6.205 -11.286 4.679 1.00 0.00 H new ATOM 0 HA SER A 103 -7.541 -12.957 2.628 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.907 -13.818 5.050 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.522 -14.855 3.778 1.00 0.00 H new ATOM 0 HG SER A 103 -4.199 -14.021 3.680 1.00 0.00 H new ATOM 1748 N ASP A 104 -8.333 -12.518 5.791 1.00 0.00 N ATOM 1749 CA ASP A 104 -9.464 -12.578 6.713 1.00 0.00 C ATOM 1750 C ASP A 104 -10.577 -11.657 6.231 1.00 0.00 C ATOM 1751 O ASP A 104 -10.422 -10.435 6.206 1.00 0.00 O ATOM 1752 CB ASP A 104 -9.034 -12.197 8.139 1.00 0.00 C ATOM 1753 CG ASP A 104 -8.400 -13.351 8.899 1.00 0.00 C ATOM 1754 OD1 ASP A 104 -7.254 -13.737 8.578 1.00 0.00 O ATOM 1755 OD2 ASP A 104 -9.041 -13.881 9.832 1.00 0.00 O ATOM 0 H ASP A 104 -7.494 -12.084 6.175 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.835 -13.603 6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -8.326 -11.370 8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.903 -11.840 8.691 1.00 0.00 H new ATOM 1760 N ALA A 105 -11.697 -12.255 5.831 1.00 0.00 N ATOM 1761 CA ALA A 105 -12.816 -11.517 5.259 1.00 0.00 C ATOM 1762 C ALA A 105 -13.357 -10.464 6.219 1.00 0.00 C ATOM 1763 O ALA A 105 -13.727 -9.372 5.798 1.00 0.00 O ATOM 1764 CB ALA A 105 -13.927 -12.475 4.855 1.00 0.00 C ATOM 0 H ALA A 105 -11.852 -13.261 5.895 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.446 -10.997 4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -14.757 -11.911 4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -13.549 -13.179 4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.272 -13.022 5.732 1.00 0.00 H new ATOM 1770 N LYS A 106 -13.394 -10.788 7.505 1.00 0.00 N ATOM 1771 CA LYS A 106 -13.893 -9.850 8.500 1.00 0.00 C ATOM 1772 C LYS A 106 -12.940 -8.669 8.645 1.00 0.00 C ATOM 1773 O LYS A 106 -13.373 -7.532 8.845 1.00 0.00 O ATOM 1774 CB LYS A 106 -14.111 -10.544 9.848 1.00 0.00 C ATOM 1775 CG LYS A 106 -14.674 -9.619 10.911 1.00 0.00 C ATOM 1776 CD LYS A 106 -15.337 -10.394 12.033 1.00 0.00 C ATOM 1777 CE LYS A 106 -15.947 -9.458 13.060 1.00 0.00 C ATOM 1778 NZ LYS A 106 -16.890 -10.165 13.964 1.00 0.00 N ATOM 0 H LYS A 106 -13.087 -11.685 7.881 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.857 -9.473 8.159 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.790 -11.385 9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.163 -10.953 10.197 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.873 -9.002 11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.399 -8.942 10.458 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -16.111 -11.042 11.623 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -14.603 -11.040 12.516 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.153 -9.000 13.650 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -16.471 -8.650 12.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -17.285 -9.491 14.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -17.662 -10.581 13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -16.385 -10.919 14.471 1.00 0.00 H new ATOM 1792 N ASN A 107 -11.648 -8.940 8.521 1.00 0.00 N ATOM 1793 CA ASN A 107 -10.642 -7.884 8.517 1.00 0.00 C ATOM 1794 C ASN A 107 -10.835 -7.003 7.291 1.00 0.00 C ATOM 1795 O ASN A 107 -10.816 -5.778 7.379 1.00 0.00 O ATOM 1796 CB ASN A 107 -9.231 -8.479 8.516 1.00 0.00 C ATOM 1797 CG ASN A 107 -8.146 -7.416 8.533 1.00 0.00 C ATOM 1798 OD1 ASN A 107 -8.309 -6.345 9.118 1.00 0.00 O ATOM 1799 ND2 ASN A 107 -7.021 -7.709 7.901 1.00 0.00 N ATOM 0 H ASN A 107 -11.271 -9.882 8.422 1.00 0.00 H new ATOM 0 HA ASN A 107 -10.760 -7.284 9.420 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.113 -9.126 9.385 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -9.106 -9.106 7.633 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.254 -7.037 7.888 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.921 -8.607 7.427 1.00 0.00 H new ATOM 1806 N MET A 108 -11.053 -7.644 6.149 1.00 0.00 N ATOM 1807 CA MET A 108 -11.290 -6.940 4.895 1.00 0.00 C ATOM 1808 C MET A 108 -12.567 -6.116 4.966 1.00 0.00 C ATOM 1809 O MET A 108 -12.641 -5.020 4.418 1.00 0.00 O ATOM 1810 CB MET A 108 -11.379 -7.931 3.736 1.00 0.00 C ATOM 1811 CG MET A 108 -10.067 -8.631 3.437 1.00 0.00 C ATOM 1812 SD MET A 108 -8.747 -7.466 3.054 1.00 0.00 S ATOM 1813 CE MET A 108 -9.444 -6.614 1.642 1.00 0.00 C ATOM 0 H MET A 108 -11.070 -8.660 6.066 1.00 0.00 H new ATOM 0 HA MET A 108 -10.450 -6.266 4.726 1.00 0.00 H new ATOM 0 HB2 MET A 108 -12.137 -8.680 3.966 1.00 0.00 H new ATOM 0 HB3 MET A 108 -11.712 -7.404 2.842 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.777 -9.237 4.295 1.00 0.00 H new ATOM 0 HG3 MET A 108 -10.204 -9.312 2.597 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.671 -6.015 1.160 1.00 0.00 H new ATOM 0 HE2 MET A 108 -9.833 -7.344 0.932 1.00 0.00 H new ATOM 0 HE3 MET A 108 -10.253 -5.963 1.973 1.00 0.00 H new ATOM 1823 N GLU A 109 -13.573 -6.653 5.638 1.00 0.00 N ATOM 1824 CA GLU A 109 -14.833 -5.953 5.818 1.00 0.00 C ATOM 1825 C GLU A 109 -14.638 -4.729 6.706 1.00 0.00 C ATOM 1826 O GLU A 109 -15.205 -3.668 6.453 1.00 0.00 O ATOM 1827 CB GLU A 109 -15.876 -6.890 6.423 1.00 0.00 C ATOM 1828 CG GLU A 109 -17.236 -6.245 6.610 1.00 0.00 C ATOM 1829 CD GLU A 109 -18.254 -7.201 7.185 1.00 0.00 C ATOM 1830 OE1 GLU A 109 -18.355 -7.293 8.425 1.00 0.00 O ATOM 1831 OE2 GLU A 109 -18.956 -7.866 6.397 1.00 0.00 O ATOM 0 H GLU A 109 -13.540 -7.577 6.070 1.00 0.00 H new ATOM 0 HA GLU A 109 -15.189 -5.619 4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -15.983 -7.764 5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.516 -7.246 7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -17.138 -5.383 7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -17.593 -5.873 5.650 1.00 0.00 H new ATOM 1838 N PHE A 110 -13.817 -4.877 7.734 1.00 0.00 N ATOM 1839 CA PHE A 110 -13.528 -3.776 8.641 1.00 0.00 C ATOM 1840 C PHE A 110 -12.637 -2.752 7.939 1.00 0.00 C ATOM 1841 O PHE A 110 -12.712 -1.556 8.208 1.00 0.00 O ATOM 1842 CB PHE A 110 -12.863 -4.310 9.911 1.00 0.00 C ATOM 1843 CG PHE A 110 -12.998 -3.400 11.100 1.00 0.00 C ATOM 1844 CD1 PHE A 110 -14.190 -2.740 11.352 1.00 0.00 C ATOM 1845 CD2 PHE A 110 -11.940 -3.221 11.975 1.00 0.00 C ATOM 1846 CE1 PHE A 110 -14.323 -1.916 12.452 1.00 0.00 C ATOM 1847 CE2 PHE A 110 -12.066 -2.398 13.077 1.00 0.00 C ATOM 1848 CZ PHE A 110 -13.259 -1.745 13.316 1.00 0.00 C ATOM 0 H PHE A 110 -13.339 -5.749 7.962 1.00 0.00 H new ATOM 0 HA PHE A 110 -14.457 -3.282 8.927 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -13.298 -5.279 10.157 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -11.804 -4.477 9.712 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -15.025 -2.872 10.680 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -11.005 -3.731 11.794 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -15.257 -1.406 12.636 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -11.233 -2.265 13.751 1.00 0.00 H new ATOM 0 HZ PHE A 110 -13.360 -1.101 14.177 1.00 0.00 H new ATOM 1858 N LEU A 111 -11.814 -3.243 7.021 1.00 0.00 N ATOM 1859 CA LEU A 111 -11.009 -2.392 6.155 1.00 0.00 C ATOM 1860 C LEU A 111 -11.924 -1.644 5.185 1.00 0.00 C ATOM 1861 O LEU A 111 -11.688 -0.485 4.851 1.00 0.00 O ATOM 1862 CB LEU A 111 -9.981 -3.260 5.404 1.00 0.00 C ATOM 1863 CG LEU A 111 -8.999 -2.525 4.481 1.00 0.00 C ATOM 1864 CD1 LEU A 111 -7.700 -3.305 4.370 1.00 0.00 C ATOM 1865 CD2 LEU A 111 -9.596 -2.328 3.094 1.00 0.00 C ATOM 0 H LEU A 111 -11.686 -4.241 6.856 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.467 -1.654 6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.403 -3.817 6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.525 -3.992 4.807 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.798 -1.546 4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.012 -2.774 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.252 -3.408 5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.903 -4.294 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.880 -1.805 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.827 -3.299 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.510 -1.739 3.172 1.00 0.00 H new ATOM 1877 N ARG A 112 -12.982 -2.320 4.755 1.00 0.00 N ATOM 1878 CA ARG A 112 -13.977 -1.736 3.864 1.00 0.00 C ATOM 1879 C ARG A 112 -14.802 -0.680 4.608 1.00 0.00 C ATOM 1880 O ARG A 112 -15.368 0.231 3.996 1.00 0.00 O ATOM 1881 CB ARG A 112 -14.890 -2.844 3.323 1.00 0.00 C ATOM 1882 CG ARG A 112 -15.764 -2.433 2.147 1.00 0.00 C ATOM 1883 CD ARG A 112 -16.728 -3.550 1.768 1.00 0.00 C ATOM 1884 NE ARG A 112 -17.484 -3.246 0.552 1.00 0.00 N ATOM 1885 CZ ARG A 112 -18.817 -3.189 0.492 1.00 0.00 C ATOM 1886 NH1 ARG A 112 -19.549 -3.369 1.586 1.00 0.00 N ATOM 1887 NH2 ARG A 112 -19.415 -2.950 -0.669 1.00 0.00 N ATOM 0 H ARG A 112 -13.175 -3.288 5.014 1.00 0.00 H new ATOM 0 HA ARG A 112 -13.472 -1.250 3.030 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.272 -3.689 3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -15.533 -3.193 4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -16.325 -1.534 2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -15.136 -2.184 1.292 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -16.169 -4.475 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -17.422 -3.722 2.591 1.00 0.00 H new ATOM 0 HE ARG A 112 -16.959 -3.066 -0.304 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -19.093 -3.552 2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -20.567 -3.324 1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -18.857 -2.811 -1.511 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -20.433 -2.906 -0.719 1.00 0.00 H new ATOM 1901 N ASN A 113 -14.848 -0.809 5.933 1.00 0.00 N ATOM 1902 CA ASN A 113 -15.588 0.122 6.789 1.00 0.00 C ATOM 1903 C ASN A 113 -14.731 1.326 7.169 1.00 0.00 C ATOM 1904 O ASN A 113 -15.169 2.187 7.926 1.00 0.00 O ATOM 1905 CB ASN A 113 -16.057 -0.572 8.074 1.00 0.00 C ATOM 1906 CG ASN A 113 -17.228 -1.515 7.868 1.00 0.00 C ATOM 1907 OD1 ASN A 113 -18.080 -1.303 7.003 1.00 0.00 O ATOM 1908 ND2 ASN A 113 -17.283 -2.561 8.679 1.00 0.00 N ATOM 0 H ASN A 113 -14.377 -1.556 6.443 1.00 0.00 H new ATOM 0 HA ASN A 113 -16.452 0.461 6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.223 -1.131 8.499 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -16.338 0.187 8.804 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -18.051 -3.227 8.600 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -16.557 -2.700 9.382 1.00 0.00 H new ATOM 1915 N TRP A 114 -13.509 1.376 6.658 1.00 0.00 N ATOM 1916 CA TRP A 114 -12.591 2.469 6.968 1.00 0.00 C ATOM 1917 C TRP A 114 -13.112 3.796 6.401 1.00 0.00 C ATOM 1918 O TRP A 114 -13.218 3.967 5.187 1.00 0.00 O ATOM 1919 CB TRP A 114 -11.202 2.155 6.404 1.00 0.00 C ATOM 1920 CG TRP A 114 -10.127 3.095 6.858 1.00 0.00 C ATOM 1921 CD1 TRP A 114 -9.519 3.114 8.078 1.00 0.00 C ATOM 1922 CD2 TRP A 114 -9.518 4.138 6.089 1.00 0.00 C ATOM 1923 NE1 TRP A 114 -8.577 4.112 8.121 1.00 0.00 N ATOM 1924 CE2 TRP A 114 -8.554 4.753 6.911 1.00 0.00 C ATOM 1925 CE3 TRP A 114 -9.695 4.613 4.789 1.00 0.00 C ATOM 1926 CZ2 TRP A 114 -7.770 5.817 6.473 1.00 0.00 C ATOM 1927 CZ3 TRP A 114 -8.917 5.668 4.356 1.00 0.00 C ATOM 1928 CH2 TRP A 114 -7.964 6.260 5.195 1.00 0.00 C ATOM 0 H TRP A 114 -13.127 0.672 6.026 1.00 0.00 H new ATOM 0 HA TRP A 114 -12.521 2.570 8.051 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -10.927 1.140 6.691 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -11.251 2.176 5.315 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -9.745 2.442 8.892 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -7.990 4.339 8.924 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -10.427 4.164 4.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.036 6.275 7.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -9.045 6.044 3.352 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.371 7.083 4.824 1.00 0.00 H new ATOM 1939 N ASN A 115 -13.440 4.732 7.290 1.00 0.00 N ATOM 1940 CA ASN A 115 -13.969 6.033 6.875 1.00 0.00 C ATOM 1941 C ASN A 115 -12.906 7.116 7.012 1.00 0.00 C ATOM 1942 O ASN A 115 -13.219 8.306 7.075 1.00 0.00 O ATOM 1943 CB ASN A 115 -15.191 6.431 7.717 1.00 0.00 C ATOM 1944 CG ASN A 115 -16.329 5.431 7.637 1.00 0.00 C ATOM 1945 OD1 ASN A 115 -17.136 5.460 6.708 1.00 0.00 O ATOM 1946 ND2 ASN A 115 -16.428 4.567 8.634 1.00 0.00 N ATOM 0 H ASN A 115 -13.350 4.616 8.299 1.00 0.00 H new ATOM 0 HA ASN A 115 -14.268 5.941 5.831 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -14.886 6.541 8.758 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -15.550 7.406 7.386 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -17.194 3.893 8.651 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -15.739 4.575 9.386 1.00 0.00 H new ATOM 1953 N GLY A 116 -11.648 6.705 7.036 1.00 0.00 N ATOM 1954 CA GLY A 116 -10.572 7.640 7.305 1.00 0.00 C ATOM 1955 C GLY A 116 -10.276 7.709 8.785 1.00 0.00 C ATOM 1956 O GLY A 116 -9.993 8.773 9.334 1.00 0.00 O ATOM 0 H GLY A 116 -11.351 5.743 6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.676 7.335 6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -10.844 8.630 6.938 1.00 0.00 H new ATOM 1960 N THR A 117 -10.357 6.560 9.430 1.00 0.00 N ATOM 1961 CA THR A 117 -10.202 6.464 10.867 1.00 0.00 C ATOM 1962 C THR A 117 -8.754 6.135 11.231 1.00 0.00 C ATOM 1963 O THR A 117 -8.201 5.139 10.761 1.00 0.00 O ATOM 1964 CB THR A 117 -11.138 5.372 11.409 1.00 0.00 C ATOM 1965 OG1 THR A 117 -12.257 5.231 10.518 1.00 0.00 O ATOM 1966 CG2 THR A 117 -11.634 5.716 12.805 1.00 0.00 C ATOM 0 H THR A 117 -10.532 5.667 8.970 1.00 0.00 H new ATOM 0 HA THR A 117 -10.460 7.424 11.315 1.00 0.00 H new ATOM 0 HB THR A 117 -10.584 4.435 11.470 1.00 0.00 H new ATOM 0 HG1 THR A 117 -13.044 4.942 11.025 1.00 0.00 H new ATOM 0 HG21 THR A 117 -12.294 4.925 13.162 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.784 5.811 13.480 1.00 0.00 H new ATOM 0 HG23 THR A 117 -12.181 6.659 12.775 1.00 0.00 H new ATOM 1974 N PHE A 118 -8.147 6.971 12.061 1.00 0.00 N ATOM 1975 CA PHE A 118 -6.754 6.784 12.453 1.00 0.00 C ATOM 1976 C PHE A 118 -6.645 5.695 13.516 1.00 0.00 C ATOM 1977 O PHE A 118 -5.747 4.855 13.472 1.00 0.00 O ATOM 1978 CB PHE A 118 -6.166 8.101 12.973 1.00 0.00 C ATOM 1979 CG PHE A 118 -4.697 8.031 13.288 1.00 0.00 C ATOM 1980 CD1 PHE A 118 -3.758 8.075 12.272 1.00 0.00 C ATOM 1981 CD2 PHE A 118 -4.257 7.920 14.598 1.00 0.00 C ATOM 1982 CE1 PHE A 118 -2.407 8.016 12.554 1.00 0.00 C ATOM 1983 CE2 PHE A 118 -2.907 7.861 14.887 1.00 0.00 C ATOM 1984 CZ PHE A 118 -1.980 7.907 13.862 1.00 0.00 C ATOM 0 H PHE A 118 -8.596 7.787 12.477 1.00 0.00 H new ATOM 0 HA PHE A 118 -6.184 6.472 11.578 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -6.331 8.880 12.229 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -6.706 8.399 13.872 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.086 8.156 11.246 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -4.977 7.879 15.402 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -1.685 8.055 11.751 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -2.576 7.779 15.912 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.924 7.858 14.084 1.00 0.00 H new ATOM 1994 N GLY A 119 -7.587 5.699 14.455 1.00 0.00 N ATOM 1995 CA GLY A 119 -7.605 4.697 15.506 1.00 0.00 C ATOM 1996 C GLY A 119 -7.937 3.314 14.980 1.00 0.00 C ATOM 1997 O GLY A 119 -7.753 2.314 15.674 1.00 0.00 O ATOM 0 H GLY A 119 -8.342 6.383 14.506 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -6.632 4.672 15.997 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.337 4.981 16.262 1.00 0.00 H new ATOM 2001 N LEU A 120 -8.409 3.259 13.741 1.00 0.00 N ATOM 2002 CA LEU A 120 -8.752 1.998 13.100 1.00 0.00 C ATOM 2003 C LEU A 120 -7.476 1.233 12.740 1.00 0.00 C ATOM 2004 O LEU A 120 -7.505 0.036 12.455 1.00 0.00 O ATOM 2005 CB LEU A 120 -9.606 2.264 11.853 1.00 0.00 C ATOM 2006 CG LEU A 120 -10.816 1.336 11.667 1.00 0.00 C ATOM 2007 CD1 LEU A 120 -11.801 1.935 10.677 1.00 0.00 C ATOM 2008 CD2 LEU A 120 -10.379 -0.034 11.187 1.00 0.00 C ATOM 0 H LEU A 120 -8.564 4.081 13.157 1.00 0.00 H new ATOM 0 HA LEU A 120 -9.334 1.386 13.789 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.963 3.293 11.892 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -8.968 2.181 10.973 1.00 0.00 H new ATOM 0 HG LEU A 120 -11.305 1.228 12.635 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -12.651 1.263 10.558 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -12.149 2.899 11.048 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -11.310 2.073 9.714 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -11.254 -0.672 11.063 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.862 0.063 10.232 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -9.706 -0.479 11.920 1.00 0.00 H new ATOM 2020 N LEU A 121 -6.345 1.928 12.778 1.00 0.00 N ATOM 2021 CA LEU A 121 -5.055 1.295 12.529 1.00 0.00 C ATOM 2022 C LEU A 121 -4.654 0.438 13.722 1.00 0.00 C ATOM 2023 O LEU A 121 -3.809 -0.449 13.613 1.00 0.00 O ATOM 2024 CB LEU A 121 -3.971 2.341 12.263 1.00 0.00 C ATOM 2025 CG LEU A 121 -4.198 3.228 11.038 1.00 0.00 C ATOM 2026 CD1 LEU A 121 -3.004 4.145 10.830 1.00 0.00 C ATOM 2027 CD2 LEU A 121 -4.447 2.383 9.797 1.00 0.00 C ATOM 0 H LEU A 121 -6.295 2.927 12.978 1.00 0.00 H new ATOM 0 HA LEU A 121 -5.154 0.666 11.644 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.884 2.980 13.142 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.016 1.828 12.146 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.084 3.839 11.212 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.175 4.773 9.955 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.872 4.776 11.709 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.107 3.545 10.676 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.606 3.035 8.938 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.583 1.744 9.612 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.331 1.763 9.950 1.00 0.00 H new ATOM 2039 N ASN A 122 -5.274 0.707 14.861 1.00 0.00 N ATOM 2040 CA ASN A 122 -4.998 -0.040 16.077 1.00 0.00 C ATOM 2041 C ASN A 122 -6.048 -1.123 16.278 1.00 0.00 C ATOM 2042 O ASN A 122 -6.164 -1.704 17.357 1.00 0.00 O ATOM 2043 CB ASN A 122 -4.955 0.901 17.286 1.00 0.00 C ATOM 2044 CG ASN A 122 -3.753 1.829 17.254 1.00 0.00 C ATOM 2045 OD1 ASN A 122 -2.694 1.474 16.736 1.00 0.00 O ATOM 2046 ND2 ASN A 122 -3.911 3.028 17.795 1.00 0.00 N ATOM 0 H ASN A 122 -5.975 1.441 14.968 1.00 0.00 H new ATOM 0 HA ASN A 122 -4.023 -0.517 15.980 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -5.869 1.495 17.314 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.931 0.311 18.202 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -3.139 3.695 17.792 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.805 3.284 18.215 1.00 0.00 H new ATOM 2053 N THR A 123 -6.819 -1.383 15.225 1.00 0.00 N ATOM 2054 CA THR A 123 -7.838 -2.420 15.259 1.00 0.00 C ATOM 2055 C THR A 123 -7.711 -3.359 14.058 1.00 0.00 C ATOM 2056 O THR A 123 -7.984 -4.555 14.163 1.00 0.00 O ATOM 2057 CB THR A 123 -9.256 -1.813 15.299 1.00 0.00 C ATOM 2058 OG1 THR A 123 -9.444 -0.927 14.191 1.00 0.00 O ATOM 2059 CG2 THR A 123 -9.484 -1.047 16.591 1.00 0.00 C ATOM 0 H THR A 123 -6.754 -0.886 14.337 1.00 0.00 H new ATOM 0 HA THR A 123 -7.680 -2.995 16.172 1.00 0.00 H new ATOM 0 HB THR A 123 -9.972 -2.633 15.243 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.601 -0.833 13.701 1.00 0.00 H new ATOM 0 HG21 THR A 123 -10.491 -0.629 16.594 1.00 0.00 H new ATOM 0 HG22 THR A 123 -9.369 -1.722 17.439 1.00 0.00 H new ATOM 0 HG23 THR A 123 -8.756 -0.239 16.668 1.00 0.00 H new ATOM 2067 N LEU A 124 -7.299 -2.806 12.917 1.00 0.00 N ATOM 2068 CA LEU A 124 -7.078 -3.597 11.707 1.00 0.00 C ATOM 2069 C LEU A 124 -5.973 -4.620 11.910 1.00 0.00 C ATOM 2070 O LEU A 124 -5.065 -4.419 12.721 1.00 0.00 O ATOM 2071 CB LEU A 124 -6.702 -2.689 10.531 1.00 0.00 C ATOM 2072 CG LEU A 124 -7.850 -1.885 9.923 1.00 0.00 C ATOM 2073 CD1 LEU A 124 -7.322 -0.915 8.877 1.00 0.00 C ATOM 2074 CD2 LEU A 124 -8.883 -2.816 9.304 1.00 0.00 C ATOM 0 H LEU A 124 -7.111 -1.810 12.806 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.009 -4.119 11.487 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.932 -1.993 10.864 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -6.259 -3.304 9.748 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.329 -1.314 10.718 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -8.152 -0.350 8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.615 -0.228 9.342 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.820 -1.471 8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.694 -2.227 8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -8.414 -3.411 8.520 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.283 -3.478 10.072 1.00 0.00 H new ATOM 2086 N ARG A 125 -6.050 -5.718 11.169 1.00 0.00 N ATOM 2087 CA ARG A 125 -4.983 -6.706 11.173 1.00 0.00 C ATOM 2088 C ARG A 125 -3.817 -6.212 10.329 1.00 0.00 C ATOM 2089 O ARG A 125 -3.594 -6.679 9.209 1.00 0.00 O ATOM 2090 CB ARG A 125 -5.476 -8.057 10.653 1.00 0.00 C ATOM 2091 CG ARG A 125 -6.310 -8.838 11.653 1.00 0.00 C ATOM 2092 CD ARG A 125 -6.875 -10.108 11.032 1.00 0.00 C ATOM 2093 NE ARG A 125 -5.890 -10.794 10.193 1.00 0.00 N ATOM 2094 CZ ARG A 125 -5.241 -11.905 10.542 1.00 0.00 C ATOM 2095 NH1 ARG A 125 -5.444 -12.462 11.729 1.00 0.00 N ATOM 2096 NH2 ARG A 125 -4.380 -12.458 9.700 1.00 0.00 N ATOM 0 H ARG A 125 -6.837 -5.945 10.561 1.00 0.00 H new ATOM 0 HA ARG A 125 -4.651 -6.844 12.202 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -6.067 -7.894 9.752 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -4.615 -8.660 10.365 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.698 -9.095 12.518 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -7.127 -8.213 12.015 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -7.209 -10.780 11.822 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -7.751 -9.860 10.433 1.00 0.00 H new ATOM 0 HE ARG A 125 -5.686 -10.394 9.277 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -6.102 -12.040 12.384 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -4.942 -13.312 11.986 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.215 -12.034 8.787 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -3.882 -13.308 9.965 1.00 0.00 H new ATOM 2110 N LEU A 126 -3.111 -5.229 10.855 1.00 0.00 N ATOM 2111 CA LEU A 126 -1.958 -4.671 10.181 1.00 0.00 C ATOM 2112 C LEU A 126 -0.695 -5.366 10.662 1.00 0.00 C ATOM 2113 O LEU A 126 -0.202 -5.107 11.762 1.00 0.00 O ATOM 2114 CB LEU A 126 -1.883 -3.165 10.429 1.00 0.00 C ATOM 2115 CG LEU A 126 -3.063 -2.372 9.865 1.00 0.00 C ATOM 2116 CD1 LEU A 126 -3.035 -0.942 10.366 1.00 0.00 C ATOM 2117 CD2 LEU A 126 -3.049 -2.399 8.344 1.00 0.00 C ATOM 0 H LEU A 126 -3.320 -4.798 11.756 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.053 -4.833 9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.823 -2.989 11.503 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.961 -2.782 9.991 1.00 0.00 H new ATOM 0 HG LEU A 126 -3.984 -2.841 10.211 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.883 -0.395 9.953 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.095 -0.937 11.454 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.107 -0.464 10.051 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.896 -1.829 7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.121 -1.957 7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.119 -3.430 7.998 1.00 0.00 H new ATOM 2129 N ILE A 127 -0.193 -6.259 9.834 1.00 0.00 N ATOM 2130 CA ILE A 127 0.953 -7.076 10.184 1.00 0.00 C ATOM 2131 C ILE A 127 2.185 -6.606 9.428 1.00 0.00 C ATOM 2132 O ILE A 127 2.108 -5.689 8.611 1.00 0.00 O ATOM 2133 CB ILE A 127 0.690 -8.563 9.854 1.00 0.00 C ATOM 2134 CG1 ILE A 127 0.282 -8.712 8.382 1.00 0.00 C ATOM 2135 CG2 ILE A 127 -0.386 -9.124 10.774 1.00 0.00 C ATOM 2136 CD1 ILE A 127 -0.055 -10.127 7.972 1.00 0.00 C ATOM 0 H ILE A 127 -0.566 -6.439 8.902 1.00 0.00 H new ATOM 0 HA ILE A 127 1.122 -6.975 11.256 1.00 0.00 H new ATOM 0 HB ILE A 127 1.607 -9.130 10.016 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.581 -8.075 8.190 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.094 -8.347 7.753 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.562 -10.172 10.531 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -0.058 -9.042 11.810 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -1.309 -8.561 10.640 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.333 -10.144 6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 127 0.813 -10.768 8.129 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -0.889 -10.491 8.573 1.00 0.00 H new ATOM 2148 N ARG A 128 3.318 -7.211 9.709 1.00 0.00 N ATOM 2149 CA ARG A 128 4.523 -6.901 8.970 1.00 0.00 C ATOM 2150 C ARG A 128 4.717 -7.923 7.870 1.00 0.00 C ATOM 2151 O ARG A 128 4.794 -9.120 8.128 1.00 0.00 O ATOM 2152 CB ARG A 128 5.742 -6.841 9.890 1.00 0.00 C ATOM 2153 CG ARG A 128 5.697 -5.664 10.850 1.00 0.00 C ATOM 2154 CD ARG A 128 7.044 -5.417 11.507 1.00 0.00 C ATOM 2155 NE ARG A 128 7.055 -4.163 12.258 1.00 0.00 N ATOM 2156 CZ ARG A 128 7.293 -2.969 11.712 1.00 0.00 C ATOM 2157 NH1 ARG A 128 7.526 -2.867 10.409 1.00 0.00 N ATOM 2158 NH2 ARG A 128 7.299 -1.884 12.472 1.00 0.00 N ATOM 0 H ARG A 128 3.431 -7.915 10.438 1.00 0.00 H new ATOM 0 HA ARG A 128 4.415 -5.913 8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 128 5.807 -7.767 10.461 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.646 -6.776 9.284 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.386 -4.769 10.312 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.947 -5.851 11.619 1.00 0.00 H new ATOM 0 HD2 ARG A 128 7.280 -6.244 12.176 1.00 0.00 H new ATOM 0 HD3 ARG A 128 7.822 -5.392 10.744 1.00 0.00 H new ATOM 0 HE ARG A 128 6.869 -4.203 13.260 1.00 0.00 H new ATOM 0 HH11 ARG A 128 7.523 -3.702 9.824 1.00 0.00 H new ATOM 0 HH12 ARG A 128 7.708 -1.953 9.993 1.00 0.00 H new ATOM 0 HH21 ARG A 128 7.122 -1.962 13.473 1.00 0.00 H new ATOM 0 HH22 ARG A 128 7.481 -0.971 12.056 1.00 0.00 H new ATOM 2172 N ILE A 129 4.759 -7.447 6.644 1.00 0.00 N ATOM 2173 CA ILE A 129 4.837 -8.317 5.487 1.00 0.00 C ATOM 2174 C ILE A 129 6.115 -8.071 4.695 1.00 0.00 C ATOM 2175 O ILE A 129 6.477 -6.930 4.412 1.00 0.00 O ATOM 2176 CB ILE A 129 3.604 -8.120 4.581 1.00 0.00 C ATOM 2177 CG1 ILE A 129 2.381 -8.804 5.206 1.00 0.00 C ATOM 2178 CG2 ILE A 129 3.861 -8.635 3.172 1.00 0.00 C ATOM 2179 CD1 ILE A 129 1.119 -8.687 4.379 1.00 0.00 C ATOM 0 H ILE A 129 4.740 -6.452 6.420 1.00 0.00 H new ATOM 0 HA ILE A 129 4.853 -9.346 5.845 1.00 0.00 H new ATOM 0 HB ILE A 129 3.404 -7.052 4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 129 2.606 -9.860 5.358 1.00 0.00 H new ATOM 0 HG13 ILE A 129 2.199 -8.372 6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 129 2.972 -8.481 2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 129 4.701 -8.095 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 129 4.095 -9.699 3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 129 0.301 -9.196 4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.866 -7.635 4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 129 1.279 -9.146 3.403 1.00 0.00 H new ATOM 2191 N ASN A 130 6.796 -9.153 4.359 1.00 0.00 N ATOM 2192 CA ASN A 130 8.007 -9.082 3.563 1.00 0.00 C ATOM 2193 C ASN A 130 7.719 -9.460 2.114 1.00 0.00 C ATOM 2194 O ASN A 130 7.221 -10.553 1.835 1.00 0.00 O ATOM 2195 CB ASN A 130 9.082 -10.007 4.146 1.00 0.00 C ATOM 2196 CG ASN A 130 10.367 -10.003 3.334 1.00 0.00 C ATOM 2197 OD1 ASN A 130 10.716 -9.009 2.695 1.00 0.00 O ATOM 2198 ND2 ASN A 130 11.089 -11.111 3.368 1.00 0.00 N ATOM 0 H ASN A 130 6.527 -10.099 4.629 1.00 0.00 H new ATOM 0 HA ASN A 130 8.374 -8.056 3.587 1.00 0.00 H new ATOM 0 HB2 ASN A 130 9.303 -9.700 5.168 1.00 0.00 H new ATOM 0 HB3 ASN A 130 8.692 -11.024 4.195 1.00 0.00 H new ATOM 0 HD21 ASN A 130 11.968 -11.163 2.853 1.00 0.00 H new ATOM 0 HD22 ASN A 130 10.767 -11.913 3.909 1.00 0.00 H new ATOM 2205 N ASP A 131 7.995 -8.519 1.216 1.00 0.00 N ATOM 2206 CA ASP A 131 7.951 -8.742 -0.232 1.00 0.00 C ATOM 2207 C ASP A 131 6.591 -9.250 -0.729 1.00 0.00 C ATOM 2208 O ASP A 131 5.680 -8.465 -0.976 1.00 0.00 O ATOM 2209 CB ASP A 131 9.076 -9.697 -0.658 1.00 0.00 C ATOM 2210 CG ASP A 131 9.095 -9.972 -2.152 1.00 0.00 C ATOM 2211 OD1 ASP A 131 9.067 -9.005 -2.946 1.00 0.00 O ATOM 2212 OD2 ASP A 131 9.131 -11.156 -2.535 1.00 0.00 O ATOM 0 H ASP A 131 8.259 -7.568 1.473 1.00 0.00 H new ATOM 0 HA ASP A 131 8.101 -7.770 -0.701 1.00 0.00 H new ATOM 0 HB2 ASP A 131 10.035 -9.273 -0.361 1.00 0.00 H new ATOM 0 HB3 ASP A 131 8.965 -10.640 -0.123 1.00 0.00 H new ATOM 2217 N LYS A 132 6.441 -10.558 -0.840 1.00 0.00 N ATOM 2218 CA LYS A 132 5.302 -11.138 -1.543 1.00 0.00 C ATOM 2219 C LYS A 132 4.217 -11.630 -0.595 1.00 0.00 C ATOM 2220 O LYS A 132 3.648 -12.707 -0.786 1.00 0.00 O ATOM 2221 CB LYS A 132 5.788 -12.268 -2.451 1.00 0.00 C ATOM 2222 CG LYS A 132 6.778 -13.205 -1.786 1.00 0.00 C ATOM 2223 CD LYS A 132 7.499 -14.056 -2.813 1.00 0.00 C ATOM 2224 CE LYS A 132 8.769 -14.656 -2.241 1.00 0.00 C ATOM 2225 NZ LYS A 132 9.637 -13.617 -1.624 1.00 0.00 N ATOM 0 H LYS A 132 7.092 -11.242 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 132 4.846 -10.353 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.927 -12.845 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 132 6.251 -11.835 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 132 7.504 -12.626 -1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 132 6.255 -13.849 -1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 132 6.839 -14.854 -3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 132 7.742 -13.449 -3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 132 8.513 -15.407 -1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 132 9.318 -15.167 -3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 10.629 -13.797 -1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 9.355 -12.678 -1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 9.535 -13.649 -0.589 1.00 0.00 H new ATOM 2239 N GLY A 133 3.908 -10.821 0.403 1.00 0.00 N ATOM 2240 CA GLY A 133 2.840 -11.160 1.319 1.00 0.00 C ATOM 2241 C GLY A 133 3.275 -12.161 2.363 1.00 0.00 C ATOM 2242 O GLY A 133 2.473 -12.966 2.833 1.00 0.00 O ATOM 0 H GLY A 133 4.376 -9.936 0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 133 2.487 -10.255 1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 133 1.999 -11.566 0.758 1.00 0.00 H new ATOM 2246 N GLU A 134 4.544 -12.111 2.728 1.00 0.00 N ATOM 2247 CA GLU A 134 5.082 -13.022 3.723 1.00 0.00 C ATOM 2248 C GLU A 134 4.957 -12.410 5.108 1.00 0.00 C ATOM 2249 O GLU A 134 5.613 -11.411 5.412 1.00 0.00 O ATOM 2250 CB GLU A 134 6.544 -13.343 3.413 1.00 0.00 C ATOM 2251 CG GLU A 134 6.747 -13.997 2.055 1.00 0.00 C ATOM 2252 CD GLU A 134 8.195 -14.354 1.790 1.00 0.00 C ATOM 2253 OE1 GLU A 134 8.704 -15.299 2.432 1.00 0.00 O ATOM 2254 OE2 GLU A 134 8.831 -13.702 0.937 1.00 0.00 O ATOM 0 H GLU A 134 5.222 -11.449 2.350 1.00 0.00 H new ATOM 0 HA GLU A 134 4.512 -13.950 3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 134 7.127 -12.423 3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 134 6.935 -14.003 4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 134 6.138 -14.899 1.996 1.00 0.00 H new ATOM 0 HG3 GLU A 134 6.395 -13.322 1.275 1.00 0.00 H new ATOM 2261 N GLN A 135 4.096 -12.989 5.936 1.00 0.00 N ATOM 2262 CA GLN A 135 3.858 -12.464 7.269 1.00 0.00 C ATOM 2263 C GLN A 135 5.064 -12.696 8.165 1.00 0.00 C ATOM 2264 O GLN A 135 5.473 -13.834 8.402 1.00 0.00 O ATOM 2265 CB GLN A 135 2.613 -13.093 7.897 1.00 0.00 C ATOM 2266 CG GLN A 135 2.272 -12.497 9.254 1.00 0.00 C ATOM 2267 CD GLN A 135 1.007 -13.070 9.862 1.00 0.00 C ATOM 2268 OE1 GLN A 135 0.099 -13.510 9.157 1.00 0.00 O ATOM 2269 NE2 GLN A 135 0.932 -13.048 11.183 1.00 0.00 N ATOM 0 H GLN A 135 3.553 -13.821 5.706 1.00 0.00 H new ATOM 0 HA GLN A 135 3.692 -11.391 7.174 1.00 0.00 H new ATOM 0 HB2 GLN A 135 1.766 -12.961 7.224 1.00 0.00 H new ATOM 0 HB3 GLN A 135 2.769 -14.166 8.006 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.104 -12.668 9.937 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.160 -11.418 9.151 1.00 0.00 H new ATOM 0 HE21 GLN A 135 1.707 -12.675 11.732 1.00 0.00 H new ATOM 0 HE22 GLN A 135 0.100 -13.404 11.653 1.00 0.00 H new ATOM 2278 N VAL A 136 5.632 -11.607 8.645 1.00 0.00 N ATOM 2279 CA VAL A 136 6.759 -11.659 9.551 1.00 0.00 C ATOM 2280 C VAL A 136 6.258 -11.830 10.982 1.00 0.00 C ATOM 2281 O VAL A 136 5.853 -10.863 11.630 1.00 0.00 O ATOM 2282 CB VAL A 136 7.615 -10.377 9.448 1.00 0.00 C ATOM 2283 CG1 VAL A 136 8.897 -10.512 10.257 1.00 0.00 C ATOM 2284 CG2 VAL A 136 7.922 -10.052 7.990 1.00 0.00 C ATOM 0 H VAL A 136 5.324 -10.662 8.417 1.00 0.00 H new ATOM 0 HA VAL A 136 7.383 -12.509 9.275 1.00 0.00 H new ATOM 0 HB VAL A 136 7.041 -9.550 9.867 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.482 -9.596 10.168 1.00 0.00 H new ATOM 0 HG12 VAL A 136 8.650 -10.684 11.305 1.00 0.00 H new ATOM 0 HG13 VAL A 136 9.479 -11.352 9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.526 -9.146 7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.471 -10.880 7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 136 6.989 -9.898 7.447 1.00 0.00 H new ATOM 2294 N VAL A 137 6.256 -13.066 11.454 1.00 0.00 N ATOM 2295 CA VAL A 137 5.730 -13.377 12.774 1.00 0.00 C ATOM 2296 C VAL A 137 6.820 -13.308 13.836 1.00 0.00 C ATOM 2297 O VAL A 137 7.910 -13.853 13.661 1.00 0.00 O ATOM 2298 CB VAL A 137 5.060 -14.770 12.808 1.00 0.00 C ATOM 2299 CG1 VAL A 137 3.791 -14.771 11.972 1.00 0.00 C ATOM 2300 CG2 VAL A 137 6.016 -15.850 12.319 1.00 0.00 C ATOM 0 H VAL A 137 6.614 -13.872 10.942 1.00 0.00 H new ATOM 0 HA VAL A 137 4.974 -12.623 12.995 1.00 0.00 H new ATOM 0 HB VAL A 137 4.798 -14.991 13.843 1.00 0.00 H new ATOM 0 HG11 VAL A 137 3.333 -15.759 12.007 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.093 -14.033 12.369 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.035 -14.521 10.940 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.518 -16.819 12.354 1.00 0.00 H new ATOM 0 HG22 VAL A 137 6.317 -15.633 11.294 1.00 0.00 H new ATOM 0 HG23 VAL A 137 6.898 -15.872 12.959 1.00 0.00 H new