USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 531 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 Single : A 35 SER OG : rot 42:sc= 0.607 USER MOD Single : A 39 SER OG : rot -147:sc= 0.221! USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= 0.957 (180deg=0.904) USER MOD Single : A 43 HIS : no HD1:sc= -0.759 X(o=-0.76,f=-1) USER MOD Single : A 47 LYS NZ :NH3+ 150:sc= -0.276 (180deg=-1.45!) USER MOD Single : A 51 TYR OH : rot -134:sc= 0.0287 USER MOD Single : A 53 SER OG : rot -25:sc= 0.616 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.17) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc=-0.00543 F(o=-1.4,f=-0.0054) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 77 HIS : no HD1:sc=-0.00383 X(o=-0.0038,f=-0.053) USER MOD Single : A 81 LYS NZ :NH3+ 157:sc= -2.83 (180deg=-4.18!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -121:sc= -1.52 (180deg=-3.4!) USER MOD Single : A 95 THR OG1 : rot -83:sc= -0.278 USER MOD ----------------------------------------------------------------- ATOM 402 N ASP A 30 8.068 -12.396 -5.486 1.00 0.00 N ATOM 403 CA ASP A 30 8.256 -10.947 -5.179 1.00 0.00 C ATOM 404 C ASP A 30 6.920 -10.329 -4.778 1.00 0.00 C ATOM 405 O ASP A 30 6.343 -9.545 -5.509 1.00 0.00 O ATOM 406 CB ASP A 30 8.819 -10.226 -6.405 1.00 0.00 C ATOM 407 CG ASP A 30 10.258 -10.687 -6.642 1.00 0.00 C ATOM 408 OD1 ASP A 30 10.819 -11.292 -5.743 1.00 0.00 O ATOM 409 OD2 ASP A 30 10.773 -10.430 -7.716 1.00 0.00 O ATOM 0 HA ASP A 30 8.959 -10.843 -4.353 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.207 -10.440 -7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.790 -9.147 -6.252 1.00 0.00 H new ATOM 414 N VAL A 31 6.428 -10.681 -3.616 1.00 0.00 N ATOM 415 CA VAL A 31 5.124 -10.138 -3.128 1.00 0.00 C ATOM 416 C VAL A 31 5.352 -9.396 -1.815 1.00 0.00 C ATOM 417 O VAL A 31 6.053 -9.864 -0.940 1.00 0.00 O ATOM 418 CB VAL A 31 4.148 -11.297 -2.906 1.00 0.00 C ATOM 419 CG1 VAL A 31 2.913 -10.801 -2.143 1.00 0.00 C ATOM 420 CG2 VAL A 31 3.717 -11.848 -4.263 1.00 0.00 C ATOM 0 H VAL A 31 6.883 -11.332 -2.976 1.00 0.00 H new ATOM 0 HA VAL A 31 4.707 -9.451 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 31 4.637 -12.078 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.223 -11.631 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.219 -10.399 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.418 -10.020 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.021 -12.674 -4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.229 -11.060 -4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.593 -12.203 -4.806 1.00 0.00 H new ATOM 430 N ALA A 32 4.760 -8.237 -1.679 1.00 0.00 N ATOM 431 CA ALA A 32 4.926 -7.434 -0.433 1.00 0.00 C ATOM 432 C ALA A 32 3.566 -7.250 0.232 1.00 0.00 C ATOM 433 O ALA A 32 2.547 -7.178 -0.425 1.00 0.00 O ATOM 434 CB ALA A 32 5.503 -6.065 -0.791 1.00 0.00 C ATOM 0 H ALA A 32 4.163 -7.809 -2.387 1.00 0.00 H new ATOM 0 HA ALA A 32 5.601 -7.950 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.626 -5.474 0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.471 -6.193 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.823 -5.550 -1.470 1.00 0.00 H new ATOM 440 N GLU A 33 3.546 -7.177 1.538 1.00 0.00 N ATOM 441 CA GLU A 33 2.260 -7.003 2.275 1.00 0.00 C ATOM 442 C GLU A 33 2.155 -5.570 2.785 1.00 0.00 C ATOM 443 O GLU A 33 3.090 -5.028 3.340 1.00 0.00 O ATOM 444 CB GLU A 33 2.226 -7.970 3.457 1.00 0.00 C ATOM 445 CG GLU A 33 2.090 -9.398 2.927 1.00 0.00 C ATOM 446 CD GLU A 33 2.122 -10.384 4.094 1.00 0.00 C ATOM 447 OE1 GLU A 33 2.254 -9.935 5.221 1.00 0.00 O ATOM 448 OE2 GLU A 33 2.012 -11.572 3.841 1.00 0.00 O ATOM 0 H GLU A 33 4.375 -7.231 2.130 1.00 0.00 H new ATOM 0 HA GLU A 33 1.423 -7.210 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.136 -7.873 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.390 -7.731 4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.157 -9.504 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.900 -9.617 2.231 1.00 0.00 H new ATOM 455 N VAL A 34 1.016 -4.955 2.597 1.00 0.00 N ATOM 456 CA VAL A 34 0.814 -3.550 3.062 1.00 0.00 C ATOM 457 C VAL A 34 -0.386 -3.512 4.002 1.00 0.00 C ATOM 458 O VAL A 34 -1.427 -4.072 3.721 1.00 0.00 O ATOM 459 CB VAL A 34 0.555 -2.647 1.852 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.063 -1.273 2.319 1.00 0.00 C ATOM 461 CG2 VAL A 34 1.857 -2.480 1.069 1.00 0.00 C ATOM 0 H VAL A 34 0.208 -5.372 2.135 1.00 0.00 H new ATOM 0 HA VAL A 34 1.702 -3.197 3.586 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.207 -3.100 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.119 -0.638 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.862 -1.390 2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.819 -0.812 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.682 -1.838 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.612 -2.027 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.206 -3.456 0.731 1.00 0.00 H new ATOM 471 N SER A 35 -0.241 -2.853 5.120 1.00 0.00 N ATOM 472 CA SER A 35 -1.357 -2.760 6.104 1.00 0.00 C ATOM 473 C SER A 35 -1.572 -1.296 6.462 1.00 0.00 C ATOM 474 O SER A 35 -0.668 -0.624 6.917 1.00 0.00 O ATOM 475 CB SER A 35 -0.985 -3.537 7.365 1.00 0.00 C ATOM 476 OG SER A 35 0.210 -2.996 7.913 1.00 0.00 O ATOM 0 H SER A 35 0.614 -2.370 5.396 1.00 0.00 H new ATOM 0 HA SER A 35 -2.268 -3.178 5.675 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.793 -3.478 8.094 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.846 -4.592 7.129 1.00 0.00 H new ATOM 0 HG SER A 35 0.176 -2.018 7.869 1.00 0.00 H new ATOM 482 N LEU A 36 -2.766 -0.798 6.261 1.00 0.00 N ATOM 483 CA LEU A 36 -3.063 0.631 6.590 1.00 0.00 C ATOM 484 C LEU A 36 -4.136 0.676 7.670 1.00 0.00 C ATOM 485 O LEU A 36 -5.143 0.000 7.589 1.00 0.00 O ATOM 486 CB LEU A 36 -3.568 1.361 5.341 1.00 0.00 C ATOM 487 CG LEU A 36 -3.743 2.859 5.643 1.00 0.00 C ATOM 488 CD1 LEU A 36 -2.388 3.505 5.991 1.00 0.00 C ATOM 489 CD2 LEU A 36 -4.350 3.550 4.416 1.00 0.00 C ATOM 0 H LEU A 36 -3.553 -1.323 5.881 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.155 1.119 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.863 1.227 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.517 0.933 5.018 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.407 2.975 6.500 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.533 4.565 6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.966 3.015 6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.705 3.393 5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.477 4.613 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.686 3.423 3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.320 3.106 4.191 1.00 0.00 H new ATOM 501 N PHE A 37 -3.921 1.469 8.688 1.00 0.00 N ATOM 502 CA PHE A 37 -4.910 1.576 9.801 1.00 0.00 C ATOM 503 C PHE A 37 -5.526 2.974 9.796 1.00 0.00 C ATOM 504 O PHE A 37 -4.830 3.967 9.705 1.00 0.00 O ATOM 505 CB PHE A 37 -4.193 1.347 11.130 1.00 0.00 C ATOM 506 CG PHE A 37 -5.176 1.525 12.260 1.00 0.00 C ATOM 507 CD1 PHE A 37 -6.114 0.524 12.531 1.00 0.00 C ATOM 508 CD2 PHE A 37 -5.151 2.692 13.034 1.00 0.00 C ATOM 509 CE1 PHE A 37 -7.030 0.687 13.575 1.00 0.00 C ATOM 510 CE2 PHE A 37 -6.067 2.856 14.079 1.00 0.00 C ATOM 511 CZ PHE A 37 -7.005 1.854 14.351 1.00 0.00 C ATOM 0 H PHE A 37 -3.092 2.054 8.796 1.00 0.00 H new ATOM 0 HA PHE A 37 -5.694 0.830 9.671 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.765 0.345 11.158 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.366 2.049 11.237 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.131 -0.376 11.934 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.426 3.464 12.825 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.756 -0.085 13.783 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.050 3.756 14.676 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.710 1.980 15.159 1.00 0.00 H new ATOM 521 N GLY A 38 -6.824 3.063 9.887 1.00 0.00 N ATOM 522 CA GLY A 38 -7.473 4.401 9.879 1.00 0.00 C ATOM 523 C GLY A 38 -8.944 4.276 10.280 1.00 0.00 C ATOM 524 O GLY A 38 -9.366 3.290 10.853 1.00 0.00 O ATOM 0 H GLY A 38 -7.460 2.270 9.966 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.956 5.068 10.568 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.395 4.845 8.887 1.00 0.00 H new ATOM 528 N SER A 39 -9.719 5.283 9.990 1.00 0.00 N ATOM 529 CA SER A 39 -11.164 5.266 10.353 1.00 0.00 C ATOM 530 C SER A 39 -11.892 4.128 9.631 1.00 0.00 C ATOM 531 O SER A 39 -11.489 2.983 9.682 1.00 0.00 O ATOM 532 CB SER A 39 -11.786 6.600 9.946 1.00 0.00 C ATOM 533 OG SER A 39 -13.191 6.550 10.158 1.00 0.00 O ATOM 0 H SER A 39 -9.409 6.128 9.511 1.00 0.00 H new ATOM 0 HA SER A 39 -11.260 5.111 11.428 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.348 7.411 10.528 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.572 6.809 8.898 1.00 0.00 H new ATOM 0 HG SER A 39 -13.644 7.094 9.480 1.00 0.00 H new ATOM 539 N ASP A 40 -12.976 4.440 8.969 1.00 0.00 N ATOM 540 CA ASP A 40 -13.756 3.394 8.253 1.00 0.00 C ATOM 541 C ASP A 40 -13.013 2.955 6.991 1.00 0.00 C ATOM 542 O ASP A 40 -11.985 3.496 6.640 1.00 0.00 O ATOM 543 CB ASP A 40 -15.115 3.968 7.850 1.00 0.00 C ATOM 544 CG ASP A 40 -15.984 4.152 9.093 1.00 0.00 C ATOM 545 OD1 ASP A 40 -15.640 3.595 10.122 1.00 0.00 O ATOM 546 OD2 ASP A 40 -16.981 4.849 8.995 1.00 0.00 O ATOM 0 H ASP A 40 -13.355 5.384 8.895 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.888 2.536 8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.981 4.924 7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.609 3.299 7.145 1.00 0.00 H new ATOM 551 N LYS A 41 -13.542 1.978 6.307 1.00 0.00 N ATOM 552 CA LYS A 41 -12.893 1.494 5.061 1.00 0.00 C ATOM 553 C LYS A 41 -12.885 2.623 4.032 1.00 0.00 C ATOM 554 O LYS A 41 -11.924 2.821 3.317 1.00 0.00 O ATOM 555 CB LYS A 41 -13.686 0.309 4.511 1.00 0.00 C ATOM 556 CG LYS A 41 -12.953 -0.284 3.309 1.00 0.00 C ATOM 557 CD LYS A 41 -13.707 -1.515 2.805 1.00 0.00 C ATOM 558 CE LYS A 41 -12.959 -2.117 1.615 1.00 0.00 C ATOM 559 NZ LYS A 41 -13.688 -3.321 1.124 1.00 0.00 N ATOM 0 H LYS A 41 -14.402 1.492 6.562 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.870 1.182 5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.810 -0.449 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.685 0.632 4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.876 0.458 2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.936 -0.558 3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.797 -2.252 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.720 -1.239 2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.873 -1.380 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.945 -2.388 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.113 -3.807 0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.867 -3.967 1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.594 -3.031 0.703 1.00 0.00 H new ATOM 573 N ALA A 42 -13.953 3.369 3.956 1.00 0.00 N ATOM 574 CA ALA A 42 -14.021 4.488 2.977 1.00 0.00 C ATOM 575 C ALA A 42 -12.826 5.416 3.183 1.00 0.00 C ATOM 576 O ALA A 42 -12.164 5.813 2.245 1.00 0.00 O ATOM 577 CB ALA A 42 -15.314 5.271 3.206 1.00 0.00 C ATOM 0 H ALA A 42 -14.785 3.250 4.534 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.002 4.092 1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -15.373 6.093 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.169 4.609 3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.323 5.669 4.221 1.00 0.00 H new ATOM 583 N HIS A 43 -12.540 5.760 4.407 1.00 0.00 N ATOM 584 CA HIS A 43 -11.385 6.655 4.682 1.00 0.00 C ATOM 585 C HIS A 43 -10.099 5.981 4.202 1.00 0.00 C ATOM 586 O HIS A 43 -9.233 6.606 3.625 1.00 0.00 O ATOM 587 CB HIS A 43 -11.298 6.914 6.188 1.00 0.00 C ATOM 588 CG HIS A 43 -10.190 7.891 6.467 1.00 0.00 C ATOM 589 ND1 HIS A 43 -9.199 7.635 7.401 1.00 0.00 N ATOM 590 CD2 HIS A 43 -9.902 9.125 5.941 1.00 0.00 C ATOM 591 CE1 HIS A 43 -8.369 8.693 7.410 1.00 0.00 C ATOM 592 NE2 HIS A 43 -8.752 9.631 6.537 1.00 0.00 N ATOM 0 H HIS A 43 -13.059 5.458 5.231 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.516 7.601 4.157 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -12.246 7.308 6.555 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.115 5.979 6.718 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.481 9.627 5.180 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.499 8.775 8.045 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -8.298 10.525 6.349 1.00 0.00 H new ATOM 600 N LEU A 44 -9.972 4.704 4.443 1.00 0.00 N ATOM 601 CA LEU A 44 -8.750 3.970 4.011 1.00 0.00 C ATOM 602 C LEU A 44 -8.662 3.971 2.482 1.00 0.00 C ATOM 603 O LEU A 44 -7.598 4.107 1.914 1.00 0.00 O ATOM 604 CB LEU A 44 -8.822 2.526 4.518 1.00 0.00 C ATOM 605 CG LEU A 44 -8.808 2.506 6.056 1.00 0.00 C ATOM 606 CD1 LEU A 44 -8.984 1.063 6.548 1.00 0.00 C ATOM 607 CD2 LEU A 44 -7.480 3.076 6.586 1.00 0.00 C ATOM 0 H LEU A 44 -10.668 4.135 4.924 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.867 4.459 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.729 2.047 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.979 1.954 4.131 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.626 3.123 6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.974 1.046 7.638 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.934 0.669 6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.169 0.447 6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.484 3.056 7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.651 2.473 6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.363 4.104 6.243 1.00 0.00 H new ATOM 619 N GLU A 45 -9.771 3.810 1.811 1.00 0.00 N ATOM 620 CA GLU A 45 -9.749 3.795 0.323 1.00 0.00 C ATOM 621 C GLU A 45 -9.184 5.118 -0.202 1.00 0.00 C ATOM 622 O GLU A 45 -8.407 5.144 -1.139 1.00 0.00 O ATOM 623 CB GLU A 45 -11.176 3.599 -0.200 1.00 0.00 C ATOM 624 CG GLU A 45 -11.643 2.173 0.109 1.00 0.00 C ATOM 625 CD GLU A 45 -13.109 2.012 -0.300 1.00 0.00 C ATOM 626 OE1 GLU A 45 -13.682 2.980 -0.772 1.00 0.00 O ATOM 627 OE2 GLU A 45 -13.634 0.924 -0.133 1.00 0.00 O ATOM 0 H GLU A 45 -10.692 3.688 2.232 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.117 2.977 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.847 4.321 0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.209 3.779 -1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.024 1.453 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.527 1.964 1.172 1.00 0.00 H new ATOM 634 N GLY A 46 -9.558 6.220 0.393 1.00 0.00 N ATOM 635 CA GLY A 46 -9.031 7.532 -0.078 1.00 0.00 C ATOM 636 C GLY A 46 -7.514 7.561 0.112 1.00 0.00 C ATOM 637 O GLY A 46 -6.773 7.934 -0.775 1.00 0.00 O ATOM 0 H GLY A 46 -10.203 6.267 1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.281 7.682 -1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.495 8.345 0.480 1.00 0.00 H new ATOM 641 N LYS A 47 -7.051 7.156 1.261 1.00 0.00 N ATOM 642 CA LYS A 47 -5.586 7.136 1.522 1.00 0.00 C ATOM 643 C LYS A 47 -4.928 6.082 0.634 1.00 0.00 C ATOM 644 O LYS A 47 -3.800 6.225 0.213 1.00 0.00 O ATOM 645 CB LYS A 47 -5.336 6.793 2.989 1.00 0.00 C ATOM 646 CG LYS A 47 -5.772 7.970 3.867 1.00 0.00 C ATOM 647 CD LYS A 47 -5.614 7.605 5.353 1.00 0.00 C ATOM 648 CE LYS A 47 -4.162 7.812 5.798 1.00 0.00 C ATOM 649 NZ LYS A 47 -3.767 9.228 5.559 1.00 0.00 N ATOM 0 H LYS A 47 -7.630 6.835 2.037 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.162 8.116 1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.890 5.895 3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.280 6.577 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.172 8.850 3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.810 8.227 3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.279 8.221 5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.907 6.567 5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.056 7.567 6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.502 7.141 5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.056 9.514 6.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.365 9.320 4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.603 9.841 5.643 1.00 0.00 H new ATOM 663 N LEU A 48 -5.626 5.016 0.363 1.00 0.00 N ATOM 664 CA LEU A 48 -5.051 3.931 -0.478 1.00 0.00 C ATOM 665 C LEU A 48 -4.637 4.504 -1.832 1.00 0.00 C ATOM 666 O LEU A 48 -3.627 4.128 -2.392 1.00 0.00 O ATOM 667 CB LEU A 48 -6.115 2.846 -0.690 1.00 0.00 C ATOM 668 CG LEU A 48 -5.522 1.659 -1.467 1.00 0.00 C ATOM 669 CD1 LEU A 48 -4.453 0.943 -0.620 1.00 0.00 C ATOM 670 CD2 LEU A 48 -6.650 0.679 -1.821 1.00 0.00 C ATOM 0 H LEU A 48 -6.577 4.849 0.691 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.179 3.503 0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.493 2.505 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.962 3.260 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.051 2.025 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.043 0.105 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.653 1.642 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.905 0.574 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.238 -0.166 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.121 0.320 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.393 1.186 -2.436 1.00 0.00 H new ATOM 682 N ALA A 49 -5.410 5.406 -2.366 1.00 0.00 N ATOM 683 CA ALA A 49 -5.065 5.997 -3.686 1.00 0.00 C ATOM 684 C ALA A 49 -3.625 6.519 -3.666 1.00 0.00 C ATOM 685 O ALA A 49 -2.889 6.368 -4.620 1.00 0.00 O ATOM 686 CB ALA A 49 -6.020 7.154 -3.977 1.00 0.00 C ATOM 0 H ALA A 49 -6.268 5.760 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.155 5.234 -4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.775 7.594 -4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.045 6.784 -3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.923 7.911 -3.199 1.00 0.00 H new ATOM 692 N GLU A 50 -3.216 7.132 -2.588 1.00 0.00 N ATOM 693 CA GLU A 50 -1.824 7.660 -2.512 1.00 0.00 C ATOM 694 C GLU A 50 -0.832 6.493 -2.479 1.00 0.00 C ATOM 695 O GLU A 50 0.206 6.526 -3.107 1.00 0.00 O ATOM 696 CB GLU A 50 -1.672 8.496 -1.239 1.00 0.00 C ATOM 697 CG GLU A 50 -2.517 9.768 -1.360 1.00 0.00 C ATOM 698 CD GLU A 50 -2.416 10.574 -0.064 1.00 0.00 C ATOM 699 OE1 GLU A 50 -2.451 9.966 0.993 1.00 0.00 O ATOM 700 OE2 GLU A 50 -2.307 11.785 -0.151 1.00 0.00 O ATOM 0 H GLU A 50 -3.786 7.290 -1.757 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.621 8.280 -3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.989 7.917 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.625 8.756 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.171 10.368 -2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.557 9.509 -1.559 1.00 0.00 H new ATOM 707 N TYR A 51 -1.152 5.461 -1.746 1.00 0.00 N ATOM 708 CA TYR A 51 -0.246 4.282 -1.658 1.00 0.00 C ATOM 709 C TYR A 51 -0.091 3.661 -3.047 1.00 0.00 C ATOM 710 O TYR A 51 0.993 3.321 -3.474 1.00 0.00 O ATOM 711 CB TYR A 51 -0.864 3.248 -0.703 1.00 0.00 C ATOM 712 CG TYR A 51 -0.610 3.647 0.737 1.00 0.00 C ATOM 713 CD1 TYR A 51 -1.061 4.885 1.217 1.00 0.00 C ATOM 714 CD2 TYR A 51 0.079 2.779 1.597 1.00 0.00 C ATOM 715 CE1 TYR A 51 -0.827 5.252 2.545 1.00 0.00 C ATOM 716 CE2 TYR A 51 0.311 3.149 2.928 1.00 0.00 C ATOM 717 CZ TYR A 51 -0.140 4.385 3.400 1.00 0.00 C ATOM 718 OH TYR A 51 0.091 4.748 4.710 1.00 0.00 O ATOM 0 H TYR A 51 -2.010 5.385 -1.200 1.00 0.00 H new ATOM 0 HA TYR A 51 0.731 4.591 -1.286 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.936 3.171 -0.883 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.437 2.264 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.591 5.557 0.558 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.431 1.825 1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.177 6.206 2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.839 2.479 3.590 1.00 0.00 H new ATOM 0 HH TYR A 51 1.023 4.555 4.944 1.00 0.00 H new ATOM 728 N ILE A 52 -1.178 3.510 -3.750 1.00 0.00 N ATOM 729 CA ILE A 52 -1.123 2.911 -5.110 1.00 0.00 C ATOM 730 C ILE A 52 -0.310 3.814 -6.041 1.00 0.00 C ATOM 731 O ILE A 52 0.491 3.351 -6.828 1.00 0.00 O ATOM 732 CB ILE A 52 -2.549 2.759 -5.650 1.00 0.00 C ATOM 733 CG1 ILE A 52 -3.297 1.702 -4.830 1.00 0.00 C ATOM 734 CG2 ILE A 52 -2.498 2.324 -7.117 1.00 0.00 C ATOM 735 CD1 ILE A 52 -4.785 1.731 -5.191 1.00 0.00 C ATOM 0 H ILE A 52 -2.111 3.779 -3.436 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.645 1.933 -5.060 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.069 3.714 -5.573 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.883 0.713 -5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.167 1.894 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.513 2.216 -7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.968 3.076 -7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.977 1.370 -7.196 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.316 0.979 -4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.194 2.717 -4.970 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.906 1.518 -6.253 1.00 0.00 H new ATOM 747 N SER A 53 -0.522 5.102 -5.971 1.00 0.00 N ATOM 748 CA SER A 53 0.224 6.034 -6.863 1.00 0.00 C ATOM 749 C SER A 53 1.729 5.896 -6.624 1.00 0.00 C ATOM 750 O SER A 53 2.515 5.919 -7.550 1.00 0.00 O ATOM 751 CB SER A 53 -0.207 7.469 -6.562 1.00 0.00 C ATOM 752 OG SER A 53 0.080 7.770 -5.204 1.00 0.00 O ATOM 0 H SER A 53 -1.181 5.548 -5.333 1.00 0.00 H new ATOM 0 HA SER A 53 0.004 5.790 -7.902 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.317 8.164 -7.219 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.273 7.589 -6.756 1.00 0.00 H new ATOM 0 HG SER A 53 0.097 6.941 -4.682 1.00 0.00 H new ATOM 758 N LEU A 54 2.139 5.748 -5.394 1.00 0.00 N ATOM 759 CA LEU A 54 3.593 5.605 -5.109 1.00 0.00 C ATOM 760 C LEU A 54 4.109 4.326 -5.768 1.00 0.00 C ATOM 761 O LEU A 54 5.179 4.297 -6.344 1.00 0.00 O ATOM 762 CB LEU A 54 3.809 5.519 -3.595 1.00 0.00 C ATOM 763 CG LEU A 54 3.478 6.868 -2.940 1.00 0.00 C ATOM 764 CD1 LEU A 54 3.505 6.707 -1.416 1.00 0.00 C ATOM 765 CD2 LEU A 54 4.496 7.945 -3.371 1.00 0.00 C ATOM 0 H LEU A 54 1.530 5.720 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 54 4.131 6.466 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.179 4.736 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.842 5.246 -3.382 1.00 0.00 H new ATOM 0 HG LEU A 54 2.486 7.185 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.271 7.662 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.767 5.963 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.497 6.381 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.245 8.894 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.498 7.641 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.465 8.062 -4.454 1.00 0.00 H new ATOM 777 N ALA A 55 3.352 3.267 -5.686 1.00 0.00 N ATOM 778 CA ALA A 55 3.787 1.986 -6.305 1.00 0.00 C ATOM 779 C ALA A 55 3.878 2.157 -7.822 1.00 0.00 C ATOM 780 O ALA A 55 4.801 1.686 -8.456 1.00 0.00 O ATOM 781 CB ALA A 55 2.758 0.901 -5.975 1.00 0.00 C ATOM 0 H ALA A 55 2.448 3.235 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 55 4.764 1.701 -5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.067 -0.043 -6.424 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.688 0.782 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.785 1.190 -6.372 1.00 0.00 H new ATOM 787 N LYS A 56 2.929 2.835 -8.406 1.00 0.00 N ATOM 788 CA LYS A 56 2.957 3.046 -9.880 1.00 0.00 C ATOM 789 C LYS A 56 4.163 3.911 -10.248 1.00 0.00 C ATOM 790 O LYS A 56 4.865 3.644 -11.202 1.00 0.00 O ATOM 791 CB LYS A 56 1.677 3.764 -10.313 1.00 0.00 C ATOM 792 CG LYS A 56 0.473 2.830 -10.140 1.00 0.00 C ATOM 793 CD LYS A 56 -0.827 3.593 -10.435 1.00 0.00 C ATOM 794 CE LYS A 56 -1.020 3.755 -11.947 1.00 0.00 C ATOM 795 NZ LYS A 56 -2.379 4.305 -12.217 1.00 0.00 N ATOM 0 H LYS A 56 2.133 3.253 -7.924 1.00 0.00 H new ATOM 0 HA LYS A 56 3.029 2.082 -10.383 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.537 4.667 -9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.759 4.077 -11.354 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.564 1.976 -10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.451 2.435 -9.124 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.675 3.057 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.797 4.573 -9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.259 4.422 -12.352 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.899 2.793 -12.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.511 4.415 -13.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.098 3.653 -11.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.477 5.231 -11.754 1.00 0.00 H new ATOM 809 N GLN A 57 4.404 4.952 -9.495 1.00 0.00 N ATOM 810 CA GLN A 57 5.557 5.844 -9.794 1.00 0.00 C ATOM 811 C GLN A 57 6.862 5.085 -9.551 1.00 0.00 C ATOM 812 O GLN A 57 7.788 5.154 -10.332 1.00 0.00 O ATOM 813 CB GLN A 57 5.500 7.066 -8.874 1.00 0.00 C ATOM 814 CG GLN A 57 6.627 8.036 -9.238 1.00 0.00 C ATOM 815 CD GLN A 57 6.547 9.276 -8.346 1.00 0.00 C ATOM 816 OE1 GLN A 57 5.539 9.519 -7.711 1.00 0.00 O ATOM 817 NE2 GLN A 57 7.573 10.078 -8.274 1.00 0.00 N ATOM 0 H GLN A 57 3.848 5.222 -8.683 1.00 0.00 H new ATOM 0 HA GLN A 57 5.512 6.166 -10.834 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.534 7.562 -8.971 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.596 6.755 -7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.594 7.548 -9.114 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.548 8.324 -10.286 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.418 9.874 -8.807 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.530 10.909 -7.685 1.00 0.00 H new ATOM 826 N VAL A 58 6.937 4.361 -8.468 1.00 0.00 N ATOM 827 CA VAL A 58 8.174 3.594 -8.163 1.00 0.00 C ATOM 828 C VAL A 58 8.384 2.518 -9.229 1.00 0.00 C ATOM 829 O VAL A 58 9.476 2.334 -9.727 1.00 0.00 O ATOM 830 CB VAL A 58 8.029 2.939 -6.785 1.00 0.00 C ATOM 831 CG1 VAL A 58 9.161 1.931 -6.560 1.00 0.00 C ATOM 832 CG2 VAL A 58 8.090 4.019 -5.701 1.00 0.00 C ATOM 0 H VAL A 58 6.190 4.268 -7.779 1.00 0.00 H new ATOM 0 HA VAL A 58 9.034 4.264 -8.160 1.00 0.00 H new ATOM 0 HB VAL A 58 7.072 2.419 -6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.049 1.471 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.119 1.160 -7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.121 2.444 -6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.987 3.556 -4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.046 4.539 -5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.280 4.732 -5.852 1.00 0.00 H new ATOM 842 N TYR A 59 7.343 1.798 -9.575 1.00 0.00 N ATOM 843 CA TYR A 59 7.469 0.718 -10.604 1.00 0.00 C ATOM 844 C TYR A 59 6.342 0.852 -11.630 1.00 0.00 C ATOM 845 O TYR A 59 5.174 0.857 -11.295 1.00 0.00 O ATOM 846 CB TYR A 59 7.382 -0.644 -9.918 1.00 0.00 C ATOM 847 CG TYR A 59 7.677 -1.727 -10.924 1.00 0.00 C ATOM 848 CD1 TYR A 59 8.994 -2.157 -11.121 1.00 0.00 C ATOM 849 CD2 TYR A 59 6.635 -2.295 -11.665 1.00 0.00 C ATOM 850 CE1 TYR A 59 9.269 -3.159 -12.059 1.00 0.00 C ATOM 851 CE2 TYR A 59 6.910 -3.297 -12.603 1.00 0.00 C ATOM 852 CZ TYR A 59 8.227 -3.729 -12.799 1.00 0.00 C ATOM 853 OH TYR A 59 8.498 -4.717 -13.724 1.00 0.00 O ATOM 0 H TYR A 59 6.407 1.913 -9.186 1.00 0.00 H new ATOM 0 HA TYR A 59 8.428 0.808 -11.113 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.092 -0.695 -9.093 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.389 -0.787 -9.493 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.798 -1.716 -10.550 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.619 -1.961 -11.513 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.285 -3.492 -12.212 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.106 -3.737 -13.175 1.00 0.00 H new ATOM 0 HH TYR A 59 7.663 -5.005 -14.149 1.00 0.00 H new ATOM 863 N ALA A 60 6.694 0.976 -12.880 1.00 0.00 N ATOM 864 CA ALA A 60 5.665 1.125 -13.949 1.00 0.00 C ATOM 865 C ALA A 60 4.899 -0.186 -14.157 1.00 0.00 C ATOM 866 O ALA A 60 5.449 -1.264 -14.062 1.00 0.00 O ATOM 867 CB ALA A 60 6.356 1.523 -15.251 1.00 0.00 C ATOM 0 H ALA A 60 7.659 0.981 -13.210 1.00 0.00 H new ATOM 0 HA ALA A 60 4.953 1.894 -13.648 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.611 1.634 -16.039 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.880 2.469 -15.111 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.071 0.751 -15.534 1.00 0.00 H new ATOM 873 N ASN A 61 3.626 -0.090 -14.452 1.00 0.00 N ATOM 874 CA ASN A 61 2.806 -1.314 -14.680 1.00 0.00 C ATOM 875 C ASN A 61 2.868 -2.198 -13.433 1.00 0.00 C ATOM 876 O ASN A 61 2.976 -3.404 -13.516 1.00 0.00 O ATOM 877 CB ASN A 61 3.345 -2.077 -15.896 1.00 0.00 C ATOM 878 CG ASN A 61 2.297 -3.082 -16.377 1.00 0.00 C ATOM 879 OD1 ASN A 61 2.258 -4.205 -15.914 1.00 0.00 O ATOM 880 ND2 ASN A 61 1.440 -2.723 -17.293 1.00 0.00 N ATOM 0 H ASN A 61 3.119 0.790 -14.545 1.00 0.00 H new ATOM 0 HA ASN A 61 1.770 -1.034 -14.872 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.589 -1.379 -16.697 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.267 -2.595 -15.633 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.737 -3.385 -17.621 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.473 -1.780 -17.681 1.00 0.00 H new ATOM 887 N VAL A 62 2.804 -1.594 -12.275 1.00 0.00 N ATOM 888 CA VAL A 62 2.864 -2.382 -11.013 1.00 0.00 C ATOM 889 C VAL A 62 1.524 -3.078 -10.765 1.00 0.00 C ATOM 890 O VAL A 62 0.470 -2.480 -10.858 1.00 0.00 O ATOM 891 CB VAL A 62 3.194 -1.449 -9.844 1.00 0.00 C ATOM 892 CG1 VAL A 62 2.038 -0.473 -9.609 1.00 0.00 C ATOM 893 CG2 VAL A 62 3.420 -2.284 -8.584 1.00 0.00 C ATOM 0 H VAL A 62 2.712 -0.586 -12.151 1.00 0.00 H new ATOM 0 HA VAL A 62 3.642 -3.141 -11.099 1.00 0.00 H new ATOM 0 HB VAL A 62 4.095 -0.882 -10.079 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.282 0.186 -8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.876 0.122 -10.508 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.132 -1.032 -9.376 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.655 -1.625 -7.748 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.517 -2.851 -8.356 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.249 -2.973 -8.748 1.00 0.00 H new ATOM 903 N GLU A 63 1.563 -4.347 -10.449 1.00 0.00 N ATOM 904 CA GLU A 63 0.305 -5.107 -10.192 1.00 0.00 C ATOM 905 C GLU A 63 -0.042 -5.038 -8.706 1.00 0.00 C ATOM 906 O GLU A 63 0.824 -4.922 -7.863 1.00 0.00 O ATOM 907 CB GLU A 63 0.517 -6.566 -10.598 1.00 0.00 C ATOM 908 CG GLU A 63 0.635 -6.653 -12.119 1.00 0.00 C ATOM 909 CD GLU A 63 0.945 -8.093 -12.528 1.00 0.00 C ATOM 910 OE1 GLU A 63 1.063 -8.927 -11.646 1.00 0.00 O ATOM 911 OE2 GLU A 63 1.060 -8.337 -13.717 1.00 0.00 O ATOM 0 H GLU A 63 2.420 -4.893 -10.358 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.511 -4.675 -10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.419 -6.959 -10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.316 -7.177 -10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.294 -6.324 -12.585 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.422 -5.987 -12.471 1.00 0.00 H new ATOM 918 N TYR A 64 -1.306 -5.104 -8.374 1.00 0.00 N ATOM 919 CA TYR A 64 -1.697 -5.035 -6.938 1.00 0.00 C ATOM 920 C TYR A 64 -3.060 -5.693 -6.730 1.00 0.00 C ATOM 921 O TYR A 64 -3.796 -5.939 -7.663 1.00 0.00 O ATOM 922 CB TYR A 64 -1.773 -3.577 -6.494 1.00 0.00 C ATOM 923 CG TYR A 64 -2.816 -2.842 -7.302 1.00 0.00 C ATOM 924 CD1 TYR A 64 -4.152 -2.826 -6.878 1.00 0.00 C ATOM 925 CD2 TYR A 64 -2.444 -2.162 -8.468 1.00 0.00 C ATOM 926 CE1 TYR A 64 -5.113 -2.128 -7.619 1.00 0.00 C ATOM 927 CE2 TYR A 64 -3.406 -1.466 -9.211 1.00 0.00 C ATOM 928 CZ TYR A 64 -4.740 -1.448 -8.786 1.00 0.00 C ATOM 929 OH TYR A 64 -5.686 -0.759 -9.516 1.00 0.00 O ATOM 0 H TYR A 64 -2.079 -5.202 -9.033 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.948 -5.562 -6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.019 -3.524 -5.434 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.801 -3.099 -6.620 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.440 -3.352 -5.980 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.415 -2.174 -8.795 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.142 -2.114 -7.291 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.119 -0.943 -10.111 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.260 -0.344 -10.295 1.00 0.00 H new ATOM 939 N GLU A 65 -3.388 -5.995 -5.503 1.00 0.00 N ATOM 940 CA GLU A 65 -4.692 -6.650 -5.204 1.00 0.00 C ATOM 941 C GLU A 65 -5.110 -6.278 -3.787 1.00 0.00 C ATOM 942 O GLU A 65 -4.287 -5.937 -2.960 1.00 0.00 O ATOM 943 CB GLU A 65 -4.554 -8.169 -5.296 1.00 0.00 C ATOM 944 CG GLU A 65 -3.298 -8.602 -4.555 1.00 0.00 C ATOM 945 CD GLU A 65 -2.070 -8.174 -5.366 1.00 0.00 C ATOM 946 OE1 GLU A 65 -2.193 -8.081 -6.576 1.00 0.00 O ATOM 947 OE2 GLU A 65 -1.032 -7.954 -4.770 1.00 0.00 O ATOM 0 H GLU A 65 -2.802 -5.814 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.437 -6.316 -5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.430 -8.653 -4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.500 -8.479 -6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.271 -8.150 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.298 -9.683 -4.413 1.00 0.00 H new ATOM 954 N VAL A 66 -6.385 -6.345 -3.499 1.00 0.00 N ATOM 955 CA VAL A 66 -6.881 -5.993 -2.132 1.00 0.00 C ATOM 956 C VAL A 66 -7.651 -7.179 -1.548 1.00 0.00 C ATOM 957 O VAL A 66 -8.530 -7.737 -2.175 1.00 0.00 O ATOM 958 CB VAL A 66 -7.799 -4.766 -2.223 1.00 0.00 C ATOM 959 CG1 VAL A 66 -8.848 -4.974 -3.318 1.00 0.00 C ATOM 960 CG2 VAL A 66 -8.501 -4.547 -0.878 1.00 0.00 C ATOM 0 H VAL A 66 -7.110 -6.631 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.036 -5.761 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.197 -3.891 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.494 -4.098 -3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.350 -5.119 -4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -9.449 -5.853 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.152 -3.675 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.096 -5.426 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.755 -4.383 -0.100 1.00 0.00 H new ATOM 970 N ALA A 67 -7.317 -7.565 -0.347 1.00 0.00 N ATOM 971 CA ALA A 67 -8.011 -8.714 0.296 1.00 0.00 C ATOM 972 C ALA A 67 -9.400 -8.265 0.777 1.00 0.00 C ATOM 973 O ALA A 67 -9.657 -7.089 0.943 1.00 0.00 O ATOM 974 CB ALA A 67 -7.157 -9.205 1.486 1.00 0.00 C ATOM 0 H ALA A 67 -6.588 -7.130 0.219 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.137 -9.530 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.654 -10.048 1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.177 -9.519 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.037 -8.395 2.206 1.00 0.00 H new ATOM 980 N PRO A 68 -10.285 -9.203 1.006 1.00 0.00 N ATOM 981 CA PRO A 68 -11.673 -8.910 1.479 1.00 0.00 C ATOM 982 C PRO A 68 -11.671 -8.171 2.825 1.00 0.00 C ATOM 983 O PRO A 68 -11.305 -8.723 3.844 1.00 0.00 O ATOM 984 CB PRO A 68 -12.317 -10.309 1.614 1.00 0.00 C ATOM 985 CG PRO A 68 -11.165 -11.260 1.692 1.00 0.00 C ATOM 986 CD PRO A 68 -10.066 -10.646 0.835 1.00 0.00 C ATOM 0 HA PRO A 68 -12.214 -8.256 0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.941 -10.372 2.505 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -12.957 -10.533 0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.833 -11.389 2.722 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.445 -12.246 1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.074 -10.947 1.173 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.152 -10.947 -0.209 1.00 0.00 H new ATOM 994 N VAL A 69 -12.081 -6.926 2.825 1.00 0.00 N ATOM 995 CA VAL A 69 -12.115 -6.124 4.089 1.00 0.00 C ATOM 996 C VAL A 69 -13.527 -5.576 4.297 1.00 0.00 C ATOM 997 O VAL A 69 -14.152 -5.070 3.387 1.00 0.00 O ATOM 998 CB VAL A 69 -11.120 -4.963 3.984 1.00 0.00 C ATOM 999 CG1 VAL A 69 -11.333 -3.992 5.152 1.00 0.00 C ATOM 1000 CG2 VAL A 69 -9.694 -5.518 4.037 1.00 0.00 C ATOM 0 H VAL A 69 -12.397 -6.426 1.994 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.841 -6.756 4.934 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.276 -4.434 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.624 -3.168 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -12.350 -3.600 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.177 -4.517 6.095 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.981 -4.697 3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.544 -6.045 4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.541 -6.208 3.207 1.00 0.00 H new ATOM 1010 N ALA A 70 -14.032 -5.683 5.494 1.00 0.00 N ATOM 1011 CA ALA A 70 -15.403 -5.183 5.780 1.00 0.00 C ATOM 1012 C ALA A 70 -15.446 -3.656 5.664 1.00 0.00 C ATOM 1013 O ALA A 70 -14.474 -2.973 5.919 1.00 0.00 O ATOM 1014 CB ALA A 70 -15.802 -5.599 7.196 1.00 0.00 C ATOM 0 H ALA A 70 -13.550 -6.098 6.291 1.00 0.00 H new ATOM 0 HA ALA A 70 -16.098 -5.610 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -16.807 -5.236 7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.785 -6.686 7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.100 -5.172 7.912 1.00 0.00 H new ATOM 1020 N ASP A 71 -16.575 -3.123 5.287 1.00 0.00 N ATOM 1021 CA ASP A 71 -16.708 -1.647 5.152 1.00 0.00 C ATOM 1022 C ASP A 71 -16.546 -0.990 6.525 1.00 0.00 C ATOM 1023 O ASP A 71 -16.095 0.133 6.638 1.00 0.00 O ATOM 1024 CB ASP A 71 -18.091 -1.320 4.582 1.00 0.00 C ATOM 1025 CG ASP A 71 -19.176 -1.892 5.498 1.00 0.00 C ATOM 1026 OD1 ASP A 71 -18.827 -2.583 6.440 1.00 0.00 O ATOM 1027 OD2 ASP A 71 -20.339 -1.634 5.239 1.00 0.00 O ATOM 0 H ASP A 71 -17.418 -3.652 5.065 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.937 -1.267 4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.211 -0.241 4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.190 -1.738 3.580 1.00 0.00 H new ATOM 1032 N ASN A 72 -16.911 -1.682 7.569 1.00 0.00 N ATOM 1033 CA ASN A 72 -16.785 -1.110 8.939 1.00 0.00 C ATOM 1034 C ASN A 72 -15.409 -1.471 9.504 1.00 0.00 C ATOM 1035 O ASN A 72 -15.124 -1.252 10.665 1.00 0.00 O ATOM 1036 CB ASN A 72 -17.875 -1.714 9.829 1.00 0.00 C ATOM 1037 CG ASN A 72 -19.254 -1.280 9.321 1.00 0.00 C ATOM 1038 OD1 ASN A 72 -19.365 -0.202 8.593 1.00 0.00 O flip ATOM 1039 ND2 ASN A 72 -20.244 -1.930 9.594 1.00 0.00 N flip ATOM 0 H ASN A 72 -17.294 -2.627 7.531 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.895 -0.026 8.906 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -17.801 -2.801 9.825 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.738 -1.389 10.860 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -20.160 -2.773 10.163 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -21.159 -1.633 9.254 1.00 0.00 H new ATOM 1046 N ALA A 73 -14.558 -2.031 8.686 1.00 0.00 N ATOM 1047 CA ALA A 73 -13.200 -2.421 9.160 1.00 0.00 C ATOM 1048 C ALA A 73 -12.362 -1.178 9.463 1.00 0.00 C ATOM 1049 O ALA A 73 -12.517 -0.143 8.844 1.00 0.00 O ATOM 1050 CB ALA A 73 -12.505 -3.243 8.073 1.00 0.00 C ATOM 0 H ALA A 73 -14.747 -2.236 7.705 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.300 -3.010 10.071 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.511 -3.531 8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.090 -4.138 7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.418 -2.646 7.165 1.00 0.00 H new ATOM 1056 N THR A 74 -11.469 -1.277 10.417 1.00 0.00 N ATOM 1057 CA THR A 74 -10.603 -0.114 10.778 1.00 0.00 C ATOM 1058 C THR A 74 -9.227 -0.284 10.134 1.00 0.00 C ATOM 1059 O THR A 74 -8.332 0.511 10.342 1.00 0.00 O ATOM 1060 CB THR A 74 -10.448 -0.051 12.300 1.00 0.00 C ATOM 1061 OG1 THR A 74 -10.173 -1.353 12.798 1.00 0.00 O ATOM 1062 CG2 THR A 74 -11.738 0.478 12.923 1.00 0.00 C ATOM 0 H THR A 74 -11.302 -2.121 10.965 1.00 0.00 H new ATOM 0 HA THR A 74 -11.061 0.807 10.418 1.00 0.00 H new ATOM 0 HB THR A 74 -9.626 0.617 12.557 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.071 -1.316 13.772 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.627 0.523 14.006 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.945 1.476 12.538 1.00 0.00 H new ATOM 0 HG23 THR A 74 -12.564 -0.187 12.670 1.00 0.00 H new ATOM 1070 N GLU A 75 -9.047 -1.316 9.348 1.00 0.00 N ATOM 1071 CA GLU A 75 -7.727 -1.540 8.682 1.00 0.00 C ATOM 1072 C GLU A 75 -7.951 -2.077 7.274 1.00 0.00 C ATOM 1073 O GLU A 75 -9.009 -2.583 6.953 1.00 0.00 O ATOM 1074 CB GLU A 75 -6.901 -2.548 9.486 1.00 0.00 C ATOM 1075 CG GLU A 75 -7.638 -3.887 9.568 1.00 0.00 C ATOM 1076 CD GLU A 75 -6.820 -4.858 10.421 1.00 0.00 C ATOM 1077 OE1 GLU A 75 -5.697 -4.517 10.757 1.00 0.00 O ATOM 1078 OE2 GLU A 75 -7.327 -5.926 10.720 1.00 0.00 O ATOM 0 H GLU A 75 -9.760 -2.015 9.138 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.188 -0.594 8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.927 -2.688 9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.719 -2.163 10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.627 -3.746 10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.785 -4.297 8.569 1.00 0.00 H new ATOM 1085 N LEU A 76 -6.956 -1.969 6.428 1.00 0.00 N ATOM 1086 CA LEU A 76 -7.088 -2.466 5.026 1.00 0.00 C ATOM 1087 C LEU A 76 -5.922 -3.399 4.710 1.00 0.00 C ATOM 1088 O LEU A 76 -4.780 -3.109 5.011 1.00 0.00 O ATOM 1089 CB LEU A 76 -7.059 -1.283 4.054 1.00 0.00 C ATOM 1090 CG LEU A 76 -7.446 -1.753 2.637 1.00 0.00 C ATOM 1091 CD1 LEU A 76 -8.973 -1.784 2.487 1.00 0.00 C ATOM 1092 CD2 LEU A 76 -6.863 -0.793 1.598 1.00 0.00 C ATOM 0 H LEU A 76 -6.051 -1.554 6.652 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.032 -3.001 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.749 -0.509 4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.064 -0.839 4.039 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.047 -2.755 2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.233 -2.117 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.397 -2.472 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.375 -0.785 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.138 -1.128 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.258 0.209 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.777 -0.775 1.688 1.00 0.00 H new ATOM 1104 N HIS A 77 -6.208 -4.517 4.096 1.00 0.00 N ATOM 1105 CA HIS A 77 -5.137 -5.495 3.736 1.00 0.00 C ATOM 1106 C HIS A 77 -4.929 -5.476 2.225 1.00 0.00 C ATOM 1107 O HIS A 77 -5.863 -5.599 1.457 1.00 0.00 O ATOM 1108 CB HIS A 77 -5.567 -6.894 4.172 1.00 0.00 C ATOM 1109 CG HIS A 77 -5.617 -6.947 5.672 1.00 0.00 C ATOM 1110 ND1 HIS A 77 -6.787 -6.725 6.382 1.00 0.00 N ATOM 1111 CD2 HIS A 77 -4.647 -7.183 6.612 1.00 0.00 C ATOM 1112 CE1 HIS A 77 -6.493 -6.834 7.690 1.00 0.00 C ATOM 1113 NE2 HIS A 77 -5.202 -7.111 7.887 1.00 0.00 N ATOM 0 H HIS A 77 -7.150 -4.798 3.825 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.207 -5.226 4.237 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -6.545 -7.134 3.754 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.867 -7.638 3.792 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.610 -7.393 6.396 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -7.214 -6.712 8.485 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -4.725 -7.242 8.779 1.00 0.00 H new ATOM 1121 N ALA A 78 -3.708 -5.324 1.788 1.00 0.00 N ATOM 1122 CA ALA A 78 -3.437 -5.297 0.324 1.00 0.00 C ATOM 1123 C ALA A 78 -2.024 -5.805 0.062 1.00 0.00 C ATOM 1124 O ALA A 78 -1.161 -5.731 0.913 1.00 0.00 O ATOM 1125 CB ALA A 78 -3.569 -3.866 -0.199 1.00 0.00 C ATOM 0 H ALA A 78 -2.886 -5.217 2.383 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.157 -5.935 -0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.370 -3.850 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.579 -3.502 -0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.852 -3.224 0.313 1.00 0.00 H new ATOM 1131 N ARG A 79 -1.788 -6.326 -1.113 1.00 0.00 N ATOM 1132 CA ARG A 79 -0.435 -6.854 -1.461 1.00 0.00 C ATOM 1133 C ARG A 79 0.017 -6.249 -2.786 1.00 0.00 C ATOM 1134 O ARG A 79 -0.787 -5.918 -3.634 1.00 0.00 O ATOM 1135 CB ARG A 79 -0.504 -8.374 -1.596 1.00 0.00 C ATOM 1136 CG ARG A 79 -0.694 -8.997 -0.214 1.00 0.00 C ATOM 1137 CD ARG A 79 -0.817 -10.514 -0.351 1.00 0.00 C ATOM 1138 NE ARG A 79 -0.937 -11.127 1.003 1.00 0.00 N ATOM 1139 CZ ARG A 79 -2.107 -11.262 1.571 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -3.187 -10.845 0.965 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -2.196 -11.812 2.751 1.00 0.00 N ATOM 0 H ARG A 79 -2.483 -6.409 -1.855 1.00 0.00 H new ATOM 0 HA ARG A 79 0.274 -6.589 -0.677 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.329 -8.655 -2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.410 -8.751 -2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.150 -8.747 0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.587 -8.590 0.260 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -1.689 -10.766 -0.955 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.055 -10.915 -0.868 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.099 -11.444 1.490 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.120 -10.412 0.044 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.097 -10.953 1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.354 -12.135 3.228 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.107 -11.919 3.197 1.00 0.00 H new ATOM 1155 N PHE A 80 1.304 -6.095 -2.964 1.00 0.00 N ATOM 1156 CA PHE A 80 1.838 -5.505 -4.229 1.00 0.00 C ATOM 1157 C PHE A 80 2.950 -6.399 -4.770 1.00 0.00 C ATOM 1158 O PHE A 80 3.674 -7.025 -4.020 1.00 0.00 O ATOM 1159 CB PHE A 80 2.405 -4.119 -3.930 1.00 0.00 C ATOM 1160 CG PHE A 80 1.272 -3.184 -3.587 1.00 0.00 C ATOM 1161 CD1 PHE A 80 0.760 -3.153 -2.285 1.00 0.00 C ATOM 1162 CD2 PHE A 80 0.727 -2.357 -4.574 1.00 0.00 C ATOM 1163 CE1 PHE A 80 -0.295 -2.290 -1.968 1.00 0.00 C ATOM 1164 CE2 PHE A 80 -0.330 -1.495 -4.258 1.00 0.00 C ATOM 1165 CZ PHE A 80 -0.841 -1.461 -2.955 1.00 0.00 C ATOM 0 H PHE A 80 2.015 -6.355 -2.280 1.00 0.00 H new ATOM 0 HA PHE A 80 1.040 -5.427 -4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.112 -4.173 -3.102 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.954 -3.743 -4.793 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.179 -3.795 -1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.121 -2.383 -5.579 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.688 -2.264 -0.962 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.751 -0.856 -5.020 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.656 -0.796 -2.711 1.00 0.00 H new ATOM 1175 N LYS A 81 3.091 -6.460 -6.071 1.00 0.00 N ATOM 1176 CA LYS A 81 4.157 -7.308 -6.688 1.00 0.00 C ATOM 1177 C LYS A 81 5.177 -6.407 -7.379 1.00 0.00 C ATOM 1178 O LYS A 81 4.832 -5.433 -8.019 1.00 0.00 O ATOM 1179 CB LYS A 81 3.517 -8.258 -7.713 1.00 0.00 C ATOM 1180 CG LYS A 81 3.054 -9.530 -7.007 1.00 0.00 C ATOM 1181 CD LYS A 81 2.364 -10.446 -8.008 1.00 0.00 C ATOM 1182 CE LYS A 81 2.042 -11.764 -7.321 1.00 0.00 C ATOM 1183 NZ LYS A 81 3.283 -12.512 -7.028 1.00 0.00 N ATOM 0 H LYS A 81 2.508 -5.954 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 81 4.659 -7.895 -5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.672 -7.770 -8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.235 -8.504 -8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.907 -10.040 -6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.370 -9.280 -6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.451 -9.980 -8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.008 -10.617 -8.870 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.497 -11.575 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.391 -12.363 -7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.110 -13.180 -6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.580 -13.037 -7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.033 -11.846 -6.753 1.00 0.00 H new ATOM 1197 N PHE A 82 6.438 -6.732 -7.244 1.00 0.00 N ATOM 1198 CA PHE A 82 7.515 -5.909 -7.874 1.00 0.00 C ATOM 1199 C PHE A 82 8.510 -6.818 -8.592 1.00 0.00 C ATOM 1200 O PHE A 82 8.615 -7.995 -8.307 1.00 0.00 O ATOM 1201 CB PHE A 82 8.241 -5.112 -6.794 1.00 0.00 C ATOM 1202 CG PHE A 82 7.320 -4.042 -6.261 1.00 0.00 C ATOM 1203 CD1 PHE A 82 7.107 -2.873 -7.002 1.00 0.00 C ATOM 1204 CD2 PHE A 82 6.678 -4.215 -5.028 1.00 0.00 C ATOM 1205 CE1 PHE A 82 6.254 -1.879 -6.512 1.00 0.00 C ATOM 1206 CE2 PHE A 82 5.825 -3.220 -4.537 1.00 0.00 C ATOM 1207 CZ PHE A 82 5.612 -2.052 -5.280 1.00 0.00 C ATOM 0 H PHE A 82 6.770 -7.541 -6.719 1.00 0.00 H new ATOM 0 HA PHE A 82 7.069 -5.225 -8.596 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.555 -5.774 -5.986 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.144 -4.660 -7.204 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.602 -2.739 -7.953 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.841 -5.116 -4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.090 -0.978 -7.084 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.331 -3.353 -3.586 1.00 0.00 H new ATOM 0 HZ PHE A 82 4.952 -1.285 -4.902 1.00 0.00 H new ATOM 1217 N GLU A 83 9.242 -6.274 -9.523 1.00 0.00 N ATOM 1218 CA GLU A 83 10.237 -7.088 -10.271 1.00 0.00 C ATOM 1219 C GLU A 83 11.339 -7.552 -9.318 1.00 0.00 C ATOM 1220 O GLU A 83 11.835 -8.655 -9.428 1.00 0.00 O ATOM 1221 CB GLU A 83 10.857 -6.233 -11.377 1.00 0.00 C ATOM 1222 CG GLU A 83 11.807 -7.090 -12.219 1.00 0.00 C ATOM 1223 CD GLU A 83 12.388 -6.242 -13.352 1.00 0.00 C ATOM 1224 OE1 GLU A 83 11.858 -5.171 -13.598 1.00 0.00 O ATOM 1225 OE2 GLU A 83 13.356 -6.678 -13.954 1.00 0.00 O ATOM 0 H GLU A 83 9.193 -5.293 -9.799 1.00 0.00 H new ATOM 0 HA GLU A 83 9.743 -7.956 -10.707 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.074 -5.814 -12.008 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.399 -5.394 -10.941 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.610 -7.482 -11.595 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.274 -7.948 -12.629 1.00 0.00 H new ATOM 1232 N VAL A 84 11.734 -6.714 -8.386 1.00 0.00 N ATOM 1233 CA VAL A 84 12.817 -7.104 -7.427 1.00 0.00 C ATOM 1234 C VAL A 84 12.439 -6.690 -6.003 1.00 0.00 C ATOM 1235 O VAL A 84 11.608 -5.829 -5.785 1.00 0.00 O ATOM 1236 CB VAL A 84 14.124 -6.416 -7.828 1.00 0.00 C ATOM 1237 CG1 VAL A 84 14.547 -6.890 -9.221 1.00 0.00 C ATOM 1238 CG2 VAL A 84 13.927 -4.897 -7.844 1.00 0.00 C ATOM 0 H VAL A 84 11.353 -5.778 -8.249 1.00 0.00 H new ATOM 0 HA VAL A 84 12.945 -8.186 -7.458 1.00 0.00 H new ATOM 0 HB VAL A 84 14.899 -6.671 -7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 84 15.478 -6.399 -9.505 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.695 -7.970 -9.208 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.769 -6.639 -9.942 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.860 -4.412 -8.130 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.149 -4.639 -8.562 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.631 -4.558 -6.851 1.00 0.00 H new ATOM 1248 N SER A 85 13.059 -7.308 -5.035 1.00 0.00 N ATOM 1249 CA SER A 85 12.772 -6.989 -3.608 1.00 0.00 C ATOM 1250 C SER A 85 13.189 -5.549 -3.294 1.00 0.00 C ATOM 1251 O SER A 85 12.522 -4.848 -2.556 1.00 0.00 O ATOM 1252 CB SER A 85 13.561 -7.950 -2.722 1.00 0.00 C ATOM 1253 OG SER A 85 13.264 -7.684 -1.357 1.00 0.00 O ATOM 0 H SER A 85 13.764 -8.032 -5.176 1.00 0.00 H new ATOM 0 HA SER A 85 11.703 -7.094 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.306 -8.981 -2.967 1.00 0.00 H new ATOM 0 HB3 SER A 85 14.630 -7.835 -2.903 1.00 0.00 H new ATOM 0 HG SER A 85 13.768 -8.301 -0.786 1.00 0.00 H new ATOM 1259 N ALA A 86 14.297 -5.112 -3.840 1.00 0.00 N ATOM 1260 CA ALA A 86 14.787 -3.725 -3.577 1.00 0.00 C ATOM 1261 C ALA A 86 13.613 -2.738 -3.580 1.00 0.00 C ATOM 1262 O ALA A 86 13.550 -1.827 -2.778 1.00 0.00 O ATOM 1263 CB ALA A 86 15.782 -3.333 -4.673 1.00 0.00 C ATOM 0 H ALA A 86 14.888 -5.663 -4.463 1.00 0.00 H new ATOM 0 HA ALA A 86 15.271 -3.694 -2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 86 16.145 -2.322 -4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.622 -4.027 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.288 -3.370 -5.644 1.00 0.00 H new ATOM 1269 N GLU A 87 12.683 -2.924 -4.474 1.00 0.00 N ATOM 1270 CA GLU A 87 11.508 -2.014 -4.540 1.00 0.00 C ATOM 1271 C GLU A 87 10.667 -2.174 -3.272 1.00 0.00 C ATOM 1272 O GLU A 87 10.076 -1.233 -2.785 1.00 0.00 O ATOM 1273 CB GLU A 87 10.660 -2.382 -5.757 1.00 0.00 C ATOM 1274 CG GLU A 87 11.460 -2.142 -7.041 1.00 0.00 C ATOM 1275 CD GLU A 87 11.754 -0.650 -7.193 1.00 0.00 C ATOM 1276 OE1 GLU A 87 11.069 0.136 -6.559 1.00 0.00 O ATOM 1277 OE2 GLU A 87 12.659 -0.317 -7.940 1.00 0.00 O ATOM 0 H GLU A 87 12.687 -3.673 -5.166 1.00 0.00 H new ATOM 0 HA GLU A 87 11.848 -0.982 -4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.357 -3.427 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.748 -1.785 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.393 -2.705 -7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.899 -2.502 -7.903 1.00 0.00 H new ATOM 1284 N LYS A 88 10.609 -3.361 -2.736 1.00 0.00 N ATOM 1285 CA LYS A 88 9.809 -3.590 -1.501 1.00 0.00 C ATOM 1286 C LYS A 88 10.370 -2.753 -0.355 1.00 0.00 C ATOM 1287 O LYS A 88 9.637 -2.136 0.392 1.00 0.00 O ATOM 1288 CB LYS A 88 9.887 -5.072 -1.123 1.00 0.00 C ATOM 1289 CG LYS A 88 9.018 -5.343 0.107 1.00 0.00 C ATOM 1290 CD LYS A 88 9.049 -6.840 0.430 1.00 0.00 C ATOM 1291 CE LYS A 88 8.175 -7.116 1.654 1.00 0.00 C ATOM 1292 NZ LYS A 88 8.167 -8.581 1.939 1.00 0.00 N ATOM 0 H LYS A 88 11.084 -4.186 -3.102 1.00 0.00 H new ATOM 0 HA LYS A 88 8.774 -3.302 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.552 -5.687 -1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.921 -5.350 -0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.383 -4.768 0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.994 -5.021 -0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.690 -7.415 -0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.073 -7.160 0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.555 -6.569 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.159 -6.764 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.573 -8.769 2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.785 -9.092 1.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.138 -8.903 2.127 1.00 0.00 H new ATOM 1306 N LEU A 89 11.663 -2.741 -0.196 1.00 0.00 N ATOM 1307 CA LEU A 89 12.263 -1.961 0.921 1.00 0.00 C ATOM 1308 C LEU A 89 11.956 -0.471 0.751 1.00 0.00 C ATOM 1309 O LEU A 89 11.496 0.184 1.664 1.00 0.00 O ATOM 1310 CB LEU A 89 13.783 -2.165 0.908 1.00 0.00 C ATOM 1311 CG LEU A 89 14.425 -1.457 2.110 1.00 0.00 C ATOM 1312 CD1 LEU A 89 13.891 -2.055 3.426 1.00 0.00 C ATOM 1313 CD2 LEU A 89 15.949 -1.625 2.034 1.00 0.00 C ATOM 0 H LEU A 89 12.329 -3.236 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 89 11.842 -2.305 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 89 14.014 -3.230 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.202 -1.774 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 89 14.173 -0.397 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.353 -1.545 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.810 -1.926 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 89 14.132 -3.117 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.413 -1.125 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.200 -2.686 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.318 -1.184 1.108 1.00 0.00 H new ATOM 1325 N ILE A 90 12.212 0.069 -0.409 1.00 0.00 N ATOM 1326 CA ILE A 90 11.942 1.517 -0.636 1.00 0.00 C ATOM 1327 C ILE A 90 10.428 1.769 -0.650 1.00 0.00 C ATOM 1328 O ILE A 90 9.938 2.703 -0.050 1.00 0.00 O ATOM 1329 CB ILE A 90 12.573 1.929 -1.981 1.00 0.00 C ATOM 1330 CG1 ILE A 90 14.083 2.144 -1.797 1.00 0.00 C ATOM 1331 CG2 ILE A 90 11.940 3.228 -2.492 1.00 0.00 C ATOM 1332 CD1 ILE A 90 14.705 0.932 -1.101 1.00 0.00 C ATOM 0 H ILE A 90 12.597 -0.431 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 90 12.378 2.112 0.167 1.00 0.00 H new ATOM 0 HB ILE A 90 12.396 1.135 -2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 90 14.557 2.300 -2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.261 3.043 -1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.396 3.506 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.869 3.080 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.104 4.023 -1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.775 1.094 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 90 14.241 0.796 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.542 0.041 -1.707 1.00 0.00 H new ATOM 1344 N PHE A 91 9.692 0.945 -1.341 1.00 0.00 N ATOM 1345 CA PHE A 91 8.216 1.130 -1.411 1.00 0.00 C ATOM 1346 C PHE A 91 7.601 0.991 -0.019 1.00 0.00 C ATOM 1347 O PHE A 91 6.754 1.766 0.377 1.00 0.00 O ATOM 1348 CB PHE A 91 7.623 0.074 -2.344 1.00 0.00 C ATOM 1349 CG PHE A 91 6.121 0.235 -2.392 1.00 0.00 C ATOM 1350 CD1 PHE A 91 5.559 1.377 -2.974 1.00 0.00 C ATOM 1351 CD2 PHE A 91 5.289 -0.758 -1.854 1.00 0.00 C ATOM 1352 CE1 PHE A 91 4.169 1.527 -3.021 1.00 0.00 C ATOM 1353 CE2 PHE A 91 3.899 -0.607 -1.902 1.00 0.00 C ATOM 1354 CZ PHE A 91 3.339 0.536 -2.484 1.00 0.00 C ATOM 0 H PHE A 91 10.052 0.146 -1.864 1.00 0.00 H new ATOM 0 HA PHE A 91 7.995 2.127 -1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.043 0.179 -3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.882 -0.925 -1.992 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.199 2.143 -3.387 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.721 -1.639 -1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.736 2.408 -3.472 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.258 -1.372 -1.490 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.266 0.653 -2.519 1.00 0.00 H new ATOM 1364 N GLU A 92 8.014 0.000 0.722 1.00 0.00 N ATOM 1365 CA GLU A 92 7.448 -0.203 2.081 1.00 0.00 C ATOM 1366 C GLU A 92 7.767 1.006 2.966 1.00 0.00 C ATOM 1367 O GLU A 92 6.957 1.431 3.764 1.00 0.00 O ATOM 1368 CB GLU A 92 8.062 -1.463 2.698 1.00 0.00 C ATOM 1369 CG GLU A 92 7.410 -1.741 4.054 1.00 0.00 C ATOM 1370 CD GLU A 92 7.985 -3.031 4.644 1.00 0.00 C ATOM 1371 OE1 GLU A 92 8.984 -3.502 4.125 1.00 0.00 O ATOM 1372 OE2 GLU A 92 7.416 -3.525 5.603 1.00 0.00 O ATOM 0 H GLU A 92 8.722 -0.679 0.442 1.00 0.00 H new ATOM 0 HA GLU A 92 6.366 -0.316 2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 92 7.917 -2.314 2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.137 -1.333 2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.589 -0.907 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.330 -1.832 3.938 1.00 0.00 H new ATOM 1379 N LEU A 93 8.944 1.558 2.837 1.00 0.00 N ATOM 1380 CA LEU A 93 9.314 2.731 3.678 1.00 0.00 C ATOM 1381 C LEU A 93 8.392 3.913 3.362 1.00 0.00 C ATOM 1382 O LEU A 93 7.908 4.590 4.247 1.00 0.00 O ATOM 1383 CB LEU A 93 10.764 3.125 3.370 1.00 0.00 C ATOM 1384 CG LEU A 93 11.737 2.150 4.054 1.00 0.00 C ATOM 1385 CD1 LEU A 93 13.130 2.326 3.442 1.00 0.00 C ATOM 1386 CD2 LEU A 93 11.807 2.424 5.571 1.00 0.00 C ATOM 0 H LEU A 93 9.664 1.247 2.185 1.00 0.00 H new ATOM 0 HA LEU A 93 9.211 2.470 4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.929 3.119 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.953 4.141 3.716 1.00 0.00 H new ATOM 0 HG LEU A 93 11.383 1.131 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.827 1.639 3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.087 2.114 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.468 3.351 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.501 1.723 6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.153 3.444 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.817 2.299 6.009 1.00 0.00 H new ATOM 1398 N LYS A 94 8.145 4.166 2.106 1.00 0.00 N ATOM 1399 CA LYS A 94 7.257 5.301 1.734 1.00 0.00 C ATOM 1400 C LYS A 94 5.828 5.027 2.204 1.00 0.00 C ATOM 1401 O LYS A 94 5.163 5.889 2.743 1.00 0.00 O ATOM 1402 CB LYS A 94 7.270 5.476 0.214 1.00 0.00 C ATOM 1403 CG LYS A 94 8.618 6.056 -0.224 1.00 0.00 C ATOM 1404 CD LYS A 94 8.626 6.231 -1.745 1.00 0.00 C ATOM 1405 CE LYS A 94 9.890 6.982 -2.169 1.00 0.00 C ATOM 1406 NZ LYS A 94 11.094 6.188 -1.794 1.00 0.00 N ATOM 0 H LYS A 94 8.521 3.634 1.321 1.00 0.00 H new ATOM 0 HA LYS A 94 7.619 6.211 2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.099 4.517 -0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.461 6.138 -0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.790 7.015 0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.428 5.393 0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.588 5.257 -2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.740 6.781 -2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.878 7.156 -3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.923 7.960 -1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.693 6.747 -1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.798 5.314 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.632 5.948 -2.651 1.00 0.00 H new ATOM 1420 N THR A 95 5.350 3.831 1.998 1.00 0.00 N ATOM 1421 CA THR A 95 3.964 3.498 2.423 1.00 0.00 C ATOM 1422 C THR A 95 3.881 3.488 3.950 1.00 0.00 C ATOM 1423 O THR A 95 2.890 3.881 4.529 1.00 0.00 O ATOM 1424 CB THR A 95 3.592 2.118 1.880 1.00 0.00 C ATOM 1425 OG1 THR A 95 4.599 1.186 2.246 1.00 0.00 O ATOM 1426 CG2 THR A 95 3.478 2.179 0.355 1.00 0.00 C ATOM 0 H THR A 95 5.862 3.069 1.553 1.00 0.00 H new ATOM 0 HA THR A 95 3.273 4.245 2.033 1.00 0.00 H new ATOM 0 HB THR A 95 2.635 1.806 2.298 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.339 1.236 1.606 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.213 1.194 -0.030 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.707 2.897 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.433 2.489 -0.069 1.00 0.00 H new ATOM 1434 N ARG A 96 4.918 3.047 4.608 1.00 0.00 N ATOM 1435 CA ARG A 96 4.898 3.022 6.096 1.00 0.00 C ATOM 1436 C ARG A 96 4.902 4.460 6.612 1.00 0.00 C ATOM 1437 O ARG A 96 4.231 4.791 7.570 1.00 0.00 O ATOM 1438 CB ARG A 96 6.136 2.278 6.613 1.00 0.00 C ATOM 1439 CG ARG A 96 6.038 2.066 8.138 1.00 0.00 C ATOM 1440 CD ARG A 96 5.238 0.793 8.447 1.00 0.00 C ATOM 1441 NE ARG A 96 5.940 -0.383 7.863 1.00 0.00 N ATOM 1442 CZ ARG A 96 5.353 -1.551 7.835 1.00 0.00 C ATOM 1443 NH1 ARG A 96 4.161 -1.699 8.347 1.00 0.00 N ATOM 1444 NH2 ARG A 96 5.963 -2.572 7.299 1.00 0.00 N ATOM 0 H ARG A 96 5.777 2.703 4.179 1.00 0.00 H new ATOM 0 HA ARG A 96 4.004 2.508 6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.226 1.315 6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.035 2.846 6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.037 1.989 8.567 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.558 2.927 8.602 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.132 0.669 9.525 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.232 0.873 8.034 1.00 0.00 H new ATOM 0 HE ARG A 96 6.881 -0.277 7.484 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.685 -0.902 8.770 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.706 -2.611 8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.896 -2.458 6.903 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.507 -3.484 7.276 1.00 0.00 H new ATOM 1458 N ALA A 97 5.656 5.320 5.981 1.00 0.00 N ATOM 1459 CA ALA A 97 5.708 6.737 6.427 1.00 0.00 C ATOM 1460 C ALA A 97 4.293 7.314 6.425 1.00 0.00 C ATOM 1461 O ALA A 97 3.858 7.928 7.378 1.00 0.00 O ATOM 1462 CB ALA A 97 6.585 7.534 5.457 1.00 0.00 C ATOM 0 H ALA A 97 6.239 5.099 5.174 1.00 0.00 H new ATOM 0 HA ALA A 97 6.126 6.796 7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 97 6.628 8.575 5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.591 7.115 5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.160 7.480 4.455 1.00 0.00 H new