USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 816 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 102 CYS SG : rot -35:sc=-0.000426 USER MOD Set 1.2: A 105 CYS SG : rot 88:sc= 0.351 USER MOD Set 1.3: A 110 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 123 CYS SG : rot -174:sc= 0.318 USER MOD Set 1.5: A 126 CYS SG : rot 53:sc= -0.989 USER MOD Set 2.1: A 37 ASN : amide:sc= -0.189 K(o=-0.41,f=-3.8!) USER MOD Set 2.2: A 80 GLN : amide:sc= -0.219 K(o=-0.41,f=-2.5!) USER MOD Set 3.1: A 32 SER OG : rot 139:sc= 1.08 USER MOD Set 3.2: A 39 THR OG1 : rot 176:sc= 1.89 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.911 K(o=0.91,f=-6.9!) USER MOD Single : A 42 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.11) USER MOD Single : A 43 ASN : amide:sc= -2.47 K(o=-2.5,f=-10!) USER MOD Single : A 52 ASN : amide:sc= -1.98 X(o=-2,f=-2) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 57 HIS : no HD1:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 60 LYS NZ :NH3+ 148:sc= -0.0191 (180deg=-0.117) USER MOD Single : A 68 THR OG1 : rot -52:sc= -0.786 USER MOD Single : A 71 ASN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -118:sc= 0.0326 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 65:sc= 1.09 USER MOD Single : A 85 HIS : no HE2:sc= -2.8 K(o=-2.8,f=-5.1!) USER MOD Single : A 89 ASN : amide:sc= -0.525 X(o=-0.53,f=-0.14) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0865 X(o=-0.087,f=-0.0025) USER MOD Single : A 98 LYS NZ :NH3+ 144:sc= -0.294 (180deg=-1.74!) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= -0.0351 K(o=-0.035,f=-1.5!) USER MOD Single : A 119 SER OG : rot 118:sc= 1.15 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 505 N TYR A 31 -7.821 -2.322 1.288 1.00 0.00 N ATOM 506 CA TYR A 31 -8.054 -1.395 2.388 1.00 0.00 C ATOM 507 C TYR A 31 -8.452 -2.146 3.657 1.00 0.00 C ATOM 508 O TYR A 31 -8.795 -3.327 3.609 1.00 0.00 O ATOM 509 CB TYR A 31 -9.154 -0.403 2.009 1.00 0.00 C ATOM 510 CG TYR A 31 -10.493 -1.062 1.756 1.00 0.00 C ATOM 511 CD1 TYR A 31 -10.645 -2.012 0.751 1.00 0.00 C ATOM 512 CD2 TYR A 31 -11.603 -0.740 2.527 1.00 0.00 C ATOM 513 CE1 TYR A 31 -11.865 -2.619 0.522 1.00 0.00 C ATOM 514 CE2 TYR A 31 -12.826 -1.343 2.303 1.00 0.00 C ATOM 515 CZ TYR A 31 -12.953 -2.282 1.300 1.00 0.00 C ATOM 516 OH TYR A 31 -14.171 -2.885 1.076 1.00 0.00 O ATOM 0 HA TYR A 31 -7.128 -0.854 2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.263 0.331 2.808 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.850 0.142 1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.796 -2.279 0.140 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.508 -0.007 3.314 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.966 -3.354 -0.263 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -13.679 -1.080 2.911 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.831 -2.536 1.711 1.00 0.00 H new ATOM 526 N SER A 32 -8.410 -1.448 4.790 1.00 0.00 N ATOM 527 CA SER A 32 -8.774 -2.045 6.072 1.00 0.00 C ATOM 528 C SER A 32 -10.291 -2.155 6.201 1.00 0.00 C ATOM 529 O SER A 32 -11.023 -1.885 5.249 1.00 0.00 O ATOM 530 CB SER A 32 -8.210 -1.210 7.223 1.00 0.00 C ATOM 531 OG SER A 32 -8.994 -0.051 7.445 1.00 0.00 O ATOM 0 H SER A 32 -8.128 -0.469 4.846 1.00 0.00 H new ATOM 0 HA SER A 32 -8.347 -3.047 6.119 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.179 -1.811 8.132 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.184 -0.921 6.997 1.00 0.00 H new ATOM 0 HG SER A 32 -9.102 0.091 8.409 1.00 0.00 H new ATOM 537 N VAL A 33 -10.758 -2.555 7.379 1.00 0.00 N ATOM 538 CA VAL A 33 -12.192 -2.702 7.620 1.00 0.00 C ATOM 539 C VAL A 33 -12.595 -2.078 8.952 1.00 0.00 C ATOM 540 O VAL A 33 -11.932 -2.278 9.971 1.00 0.00 O ATOM 541 CB VAL A 33 -12.630 -4.184 7.605 1.00 0.00 C ATOM 542 CG1 VAL A 33 -13.312 -4.532 6.292 1.00 0.00 C ATOM 543 CG2 VAL A 33 -11.443 -5.100 7.853 1.00 0.00 C ATOM 0 H VAL A 33 -10.169 -2.783 8.180 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.696 -2.179 6.807 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.348 -4.332 8.411 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.612 -5.580 6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.193 -3.904 6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.621 -4.362 5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.775 -6.138 7.838 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.696 -4.947 7.074 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.005 -4.873 8.825 1.00 0.00 H new ATOM 553 N ILE A 34 -13.687 -1.321 8.935 1.00 0.00 N ATOM 554 CA ILE A 34 -14.184 -0.665 10.136 1.00 0.00 C ATOM 555 C ILE A 34 -14.652 -1.684 11.174 1.00 0.00 C ATOM 556 O ILE A 34 -15.154 -2.754 10.828 1.00 0.00 O ATOM 557 CB ILE A 34 -15.343 0.299 9.805 1.00 0.00 C ATOM 558 CG1 ILE A 34 -15.568 1.280 10.958 1.00 0.00 C ATOM 559 CG2 ILE A 34 -16.620 -0.472 9.492 1.00 0.00 C ATOM 560 CD1 ILE A 34 -15.399 2.725 10.551 1.00 0.00 C ATOM 0 H ILE A 34 -14.245 -1.147 8.099 1.00 0.00 H new ATOM 0 HA ILE A 34 -13.355 -0.094 10.553 1.00 0.00 H new ATOM 0 HB ILE A 34 -15.071 0.869 8.917 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.572 1.137 11.358 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -14.869 1.052 11.763 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.422 0.230 9.262 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -16.451 -1.123 8.634 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.902 -1.075 10.355 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -15.572 3.369 11.414 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.387 2.882 10.178 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -16.116 2.968 9.767 1.00 0.00 H new ATOM 572 N GLN A 35 -14.483 -1.338 12.445 1.00 0.00 N ATOM 573 CA GLN A 35 -14.887 -2.211 13.541 1.00 0.00 C ATOM 574 C GLN A 35 -14.881 -1.444 14.858 1.00 0.00 C ATOM 575 O GLN A 35 -13.852 -1.349 15.525 1.00 0.00 O ATOM 576 CB GLN A 35 -13.950 -3.417 13.634 1.00 0.00 C ATOM 577 CG GLN A 35 -14.682 -4.748 13.682 1.00 0.00 C ATOM 578 CD GLN A 35 -14.902 -5.243 15.099 1.00 0.00 C ATOM 579 OE1 GLN A 35 -15.432 -4.524 15.947 1.00 0.00 O ATOM 580 NE2 GLN A 35 -14.499 -6.480 15.361 1.00 0.00 N ATOM 0 H GLN A 35 -14.067 -0.455 12.743 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.899 -2.566 13.345 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.277 -3.412 12.777 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.331 -3.319 14.526 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.646 -4.646 13.183 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.112 -5.492 13.126 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.065 -7.041 14.628 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.624 -6.870 16.295 1.00 0.00 H new ATOM 589 N GLY A 36 -16.032 -0.886 15.221 1.00 0.00 N ATOM 590 CA GLY A 36 -16.126 -0.123 16.451 1.00 0.00 C ATOM 591 C GLY A 36 -15.150 1.038 16.476 1.00 0.00 C ATOM 592 O GLY A 36 -15.453 2.122 15.977 1.00 0.00 O ATOM 0 H GLY A 36 -16.899 -0.949 14.687 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.142 0.255 16.566 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -15.931 -0.778 17.300 1.00 0.00 H new ATOM 596 N ASN A 37 -13.975 0.809 17.050 1.00 0.00 N ATOM 597 CA ASN A 37 -12.948 1.844 17.130 1.00 0.00 C ATOM 598 C ASN A 37 -11.579 1.290 16.747 1.00 0.00 C ATOM 599 O ASN A 37 -10.549 1.798 17.191 1.00 0.00 O ATOM 600 CB ASN A 37 -12.887 2.430 18.539 1.00 0.00 C ATOM 601 CG ASN A 37 -12.876 1.357 19.608 1.00 0.00 C ATOM 602 OD1 ASN A 37 -12.232 0.318 19.454 1.00 0.00 O ATOM 603 ND2 ASN A 37 -13.593 1.601 20.696 1.00 0.00 N ATOM 0 H ASN A 37 -13.709 -0.083 17.467 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.215 2.631 16.425 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.992 3.045 18.636 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -13.743 3.086 18.695 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -13.627 0.914 21.449 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -14.111 2.476 20.780 1.00 0.00 H new ATOM 610 N ARG A 38 -11.574 0.250 15.925 1.00 0.00 N ATOM 611 CA ARG A 38 -10.328 -0.367 15.488 1.00 0.00 C ATOM 612 C ARG A 38 -10.393 -0.752 14.016 1.00 0.00 C ATOM 613 O ARG A 38 -11.474 -0.953 13.462 1.00 0.00 O ATOM 614 CB ARG A 38 -10.021 -1.609 16.327 1.00 0.00 C ATOM 615 CG ARG A 38 -11.128 -2.645 16.312 1.00 0.00 C ATOM 616 CD ARG A 38 -12.127 -2.411 17.432 1.00 0.00 C ATOM 617 NE ARG A 38 -13.156 -3.450 17.473 1.00 0.00 N ATOM 618 CZ ARG A 38 -13.101 -4.523 18.261 1.00 0.00 C ATOM 619 NH1 ARG A 38 -12.043 -4.737 19.033 1.00 0.00 N ATOM 620 NH2 ARG A 38 -14.101 -5.396 18.255 1.00 0.00 N ATOM 0 H ARG A 38 -12.416 -0.184 15.548 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.532 0.365 15.623 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.103 -2.067 15.960 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.835 -1.304 17.357 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.643 -2.614 15.352 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.696 -3.641 16.411 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.602 -2.383 18.387 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.599 -1.438 17.299 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.965 -3.347 16.861 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.265 -4.078 19.026 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.008 -5.561 19.634 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.907 -5.244 17.649 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.063 -6.219 18.857 1.00 0.00 H new ATOM 634 N THR A 39 -9.225 -0.862 13.394 1.00 0.00 N ATOM 635 CA THR A 39 -9.137 -1.236 11.988 1.00 0.00 C ATOM 636 C THR A 39 -8.626 -2.670 11.870 1.00 0.00 C ATOM 637 O THR A 39 -7.584 -3.016 12.428 1.00 0.00 O ATOM 638 CB THR A 39 -8.241 -0.238 11.221 1.00 0.00 C ATOM 639 OG1 THR A 39 -8.962 0.352 10.149 1.00 0.00 O ATOM 640 CG2 THR A 39 -6.963 -0.824 10.637 1.00 0.00 C ATOM 0 H THR A 39 -8.324 -0.697 13.843 1.00 0.00 H new ATOM 0 HA THR A 39 -10.127 -1.194 11.535 1.00 0.00 H new ATOM 0 HB THR A 39 -7.948 0.489 11.979 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.403 1.028 9.711 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.407 -0.042 10.120 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.351 -1.234 11.440 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.215 -1.616 9.932 1.00 0.00 H new ATOM 648 N PHE A 40 -9.376 -3.501 11.163 1.00 0.00 N ATOM 649 CA PHE A 40 -9.014 -4.900 10.985 1.00 0.00 C ATOM 650 C PHE A 40 -8.273 -5.094 9.666 1.00 0.00 C ATOM 651 O PHE A 40 -8.832 -5.626 8.707 1.00 0.00 O ATOM 652 CB PHE A 40 -10.284 -5.752 11.005 1.00 0.00 C ATOM 653 CG PHE A 40 -10.089 -7.177 11.423 1.00 0.00 C ATOM 654 CD1 PHE A 40 -9.102 -7.961 10.852 1.00 0.00 C ATOM 655 CD2 PHE A 40 -10.927 -7.744 12.368 1.00 0.00 C ATOM 656 CE1 PHE A 40 -8.954 -9.283 11.220 1.00 0.00 C ATOM 657 CE2 PHE A 40 -10.782 -9.063 12.744 1.00 0.00 C ATOM 658 CZ PHE A 40 -9.793 -9.835 12.169 1.00 0.00 C ATOM 0 H PHE A 40 -10.244 -3.230 10.701 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.354 -5.208 11.796 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -11.003 -5.287 11.679 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.727 -5.740 10.009 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.441 -7.535 10.112 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -11.705 -7.145 12.817 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.182 -9.886 10.766 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.440 -9.490 13.486 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.675 -10.868 12.460 1.00 0.00 H new ATOM 668 N ILE A 41 -7.018 -4.651 9.612 1.00 0.00 N ATOM 669 CA ILE A 41 -6.228 -4.773 8.395 1.00 0.00 C ATOM 670 C ILE A 41 -5.816 -6.221 8.139 1.00 0.00 C ATOM 671 O ILE A 41 -5.104 -6.849 8.934 1.00 0.00 O ATOM 672 CB ILE A 41 -4.993 -3.848 8.425 1.00 0.00 C ATOM 673 CG1 ILE A 41 -4.290 -3.856 7.072 1.00 0.00 C ATOM 674 CG2 ILE A 41 -4.033 -4.238 9.534 1.00 0.00 C ATOM 675 CD1 ILE A 41 -4.992 -3.010 6.037 1.00 0.00 C ATOM 0 H ILE A 41 -6.532 -4.208 10.392 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.862 -4.454 7.568 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.338 -2.835 8.632 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.269 -3.495 7.197 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.223 -4.882 6.710 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.175 -3.566 9.526 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.540 -4.167 10.496 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.693 -5.262 9.378 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.444 -3.057 5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.004 -3.385 5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.036 -1.977 6.381 1.00 0.00 H new ATOM 687 N GLN A 42 -6.298 -6.748 7.017 1.00 0.00 N ATOM 688 CA GLN A 42 -6.023 -8.119 6.624 1.00 0.00 C ATOM 689 C GLN A 42 -4.973 -8.167 5.519 1.00 0.00 C ATOM 690 O GLN A 42 -4.091 -9.026 5.526 1.00 0.00 O ATOM 691 CB GLN A 42 -7.334 -8.790 6.176 1.00 0.00 C ATOM 692 CG GLN A 42 -7.255 -9.553 4.857 1.00 0.00 C ATOM 693 CD GLN A 42 -7.002 -11.031 5.060 1.00 0.00 C ATOM 694 OE1 GLN A 42 -6.075 -11.601 4.483 1.00 0.00 O ATOM 695 NE2 GLN A 42 -7.829 -11.660 5.885 1.00 0.00 N ATOM 0 H GLN A 42 -6.887 -6.236 6.360 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.619 -8.665 7.477 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.656 -9.479 6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.104 -8.024 6.089 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.186 -9.419 4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.458 -9.132 4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.583 -11.146 6.341 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.711 -12.657 6.063 1.00 0.00 H new ATOM 704 N ASN A 43 -5.077 -7.246 4.567 1.00 0.00 N ATOM 705 CA ASN A 43 -4.134 -7.196 3.457 1.00 0.00 C ATOM 706 C ASN A 43 -3.013 -6.205 3.739 1.00 0.00 C ATOM 707 O ASN A 43 -2.622 -5.427 2.870 1.00 0.00 O ATOM 708 CB ASN A 43 -4.848 -6.827 2.152 1.00 0.00 C ATOM 709 CG ASN A 43 -4.759 -7.930 1.115 1.00 0.00 C ATOM 710 OD1 ASN A 43 -4.036 -7.812 0.128 1.00 0.00 O ATOM 711 ND2 ASN A 43 -5.497 -9.013 1.334 1.00 0.00 N ATOM 0 H ASN A 43 -5.801 -6.528 4.542 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.698 -8.189 3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.896 -6.613 2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.411 -5.914 1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.477 -9.787 0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.084 -9.071 2.166 1.00 0.00 H new ATOM 718 N PHE A 44 -2.492 -6.242 4.962 1.00 0.00 N ATOM 719 CA PHE A 44 -1.407 -5.350 5.356 1.00 0.00 C ATOM 720 C PHE A 44 -0.297 -5.322 4.307 1.00 0.00 C ATOM 721 O PHE A 44 0.492 -4.389 4.268 1.00 0.00 O ATOM 722 CB PHE A 44 -0.827 -5.766 6.714 1.00 0.00 C ATOM 723 CG PHE A 44 -0.121 -7.095 6.696 1.00 0.00 C ATOM 724 CD1 PHE A 44 -0.817 -8.266 6.440 1.00 0.00 C ATOM 725 CD2 PHE A 44 1.243 -7.173 6.943 1.00 0.00 C ATOM 726 CE1 PHE A 44 -0.170 -9.486 6.429 1.00 0.00 C ATOM 727 CE2 PHE A 44 1.894 -8.392 6.934 1.00 0.00 C ATOM 728 CZ PHE A 44 1.188 -9.550 6.677 1.00 0.00 C ATOM 0 H PHE A 44 -2.803 -6.879 5.696 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.826 -4.347 5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.128 -4.999 7.050 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.634 -5.804 7.446 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.879 -8.224 6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.802 -6.271 7.144 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.725 -10.390 6.227 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.955 -8.439 7.128 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.695 -10.503 6.670 1.00 0.00 H new ATOM 738 N ARG A 45 -0.233 -6.350 3.462 1.00 0.00 N ATOM 739 CA ARG A 45 0.791 -6.419 2.424 1.00 0.00 C ATOM 740 C ARG A 45 0.389 -5.599 1.200 1.00 0.00 C ATOM 741 O ARG A 45 1.107 -4.684 0.790 1.00 0.00 O ATOM 742 CB ARG A 45 1.033 -7.874 2.019 1.00 0.00 C ATOM 743 CG ARG A 45 2.506 -8.240 1.923 1.00 0.00 C ATOM 744 CD ARG A 45 3.104 -7.806 0.594 1.00 0.00 C ATOM 745 NE ARG A 45 4.543 -8.054 0.535 1.00 0.00 N ATOM 746 CZ ARG A 45 5.086 -9.201 0.128 1.00 0.00 C ATOM 747 NH1 ARG A 45 4.315 -10.208 -0.266 1.00 0.00 N ATOM 748 NH2 ARG A 45 6.404 -9.339 0.112 1.00 0.00 N ATOM 0 H ARG A 45 -0.875 -7.142 3.476 1.00 0.00 H new ATOM 0 HA ARG A 45 1.712 -6.000 2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.550 -8.530 2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.557 -8.059 1.056 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.053 -7.769 2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.622 -9.317 2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.610 -8.340 -0.218 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.912 -6.744 0.440 1.00 0.00 H new ATOM 0 HE ARG A 45 5.170 -7.303 0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.300 -10.106 -0.258 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.738 -11.083 -0.576 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.001 -8.568 0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.821 -10.216 -0.199 1.00 0.00 H new ATOM 762 N GLU A 46 -0.770 -5.918 0.636 1.00 0.00 N ATOM 763 CA GLU A 46 -1.275 -5.199 -0.527 1.00 0.00 C ATOM 764 C GLU A 46 -1.575 -3.756 -0.149 1.00 0.00 C ATOM 765 O GLU A 46 -1.315 -2.828 -0.916 1.00 0.00 O ATOM 766 CB GLU A 46 -2.531 -5.875 -1.071 1.00 0.00 C ATOM 767 CG GLU A 46 -2.870 -5.484 -2.502 1.00 0.00 C ATOM 768 CD GLU A 46 -3.138 -6.686 -3.388 1.00 0.00 C ATOM 769 OE1 GLU A 46 -4.142 -7.390 -3.147 1.00 0.00 O ATOM 770 OE2 GLU A 46 -2.345 -6.923 -4.323 1.00 0.00 O ATOM 0 H GLU A 46 -1.377 -6.669 0.965 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.514 -5.213 -1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.401 -6.956 -1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.374 -5.625 -0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.747 -4.836 -2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.047 -4.905 -2.921 1.00 0.00 H new ATOM 777 N VAL A 47 -2.117 -3.582 1.050 1.00 0.00 N ATOM 778 CA VAL A 47 -2.451 -2.260 1.555 1.00 0.00 C ATOM 779 C VAL A 47 -1.190 -1.461 1.864 1.00 0.00 C ATOM 780 O VAL A 47 -1.108 -0.277 1.553 1.00 0.00 O ATOM 781 CB VAL A 47 -3.320 -2.356 2.831 1.00 0.00 C ATOM 782 CG1 VAL A 47 -3.616 -0.981 3.415 1.00 0.00 C ATOM 783 CG2 VAL A 47 -4.612 -3.090 2.527 1.00 0.00 C ATOM 0 H VAL A 47 -2.335 -4.344 1.692 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.017 -1.748 0.777 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.757 -2.916 3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.229 -1.090 4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.680 -0.486 3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.152 -0.381 2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.217 -3.152 3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.165 -2.551 1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.385 -4.095 2.173 1.00 0.00 H new ATOM 793 N ALA A 48 -0.214 -2.116 2.484 1.00 0.00 N ATOM 794 CA ALA A 48 1.035 -1.454 2.846 1.00 0.00 C ATOM 795 C ALA A 48 1.763 -0.874 1.633 1.00 0.00 C ATOM 796 O ALA A 48 2.401 0.175 1.724 1.00 0.00 O ATOM 797 CB ALA A 48 1.948 -2.408 3.598 1.00 0.00 C ATOM 0 H ALA A 48 -0.263 -3.101 2.746 1.00 0.00 H new ATOM 0 HA ALA A 48 0.772 -0.619 3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.874 -1.896 3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.451 -2.746 4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.174 -3.268 2.968 1.00 0.00 H new ATOM 803 N ASP A 49 1.655 -1.549 0.495 1.00 0.00 N ATOM 804 CA ASP A 49 2.308 -1.080 -0.725 1.00 0.00 C ATOM 805 C ASP A 49 1.551 0.104 -1.318 1.00 0.00 C ATOM 806 O ASP A 49 2.070 1.219 -1.366 1.00 0.00 O ATOM 807 CB ASP A 49 2.404 -2.216 -1.749 1.00 0.00 C ATOM 808 CG ASP A 49 3.789 -2.340 -2.358 1.00 0.00 C ATOM 809 OD1 ASP A 49 4.642 -1.470 -2.080 1.00 0.00 O ATOM 810 OD2 ASP A 49 4.021 -3.308 -3.113 1.00 0.00 O ATOM 0 H ASP A 49 1.127 -2.415 0.389 1.00 0.00 H new ATOM 0 HA ASP A 49 3.316 -0.753 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.138 -3.157 -1.268 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.676 -2.047 -2.543 1.00 0.00 H new ATOM 815 N ALA A 50 0.332 -0.144 -1.783 1.00 0.00 N ATOM 816 CA ALA A 50 -0.483 0.905 -2.388 1.00 0.00 C ATOM 817 C ALA A 50 -0.559 2.154 -1.508 1.00 0.00 C ATOM 818 O ALA A 50 -0.394 3.272 -1.995 1.00 0.00 O ATOM 819 CB ALA A 50 -1.885 0.388 -2.673 1.00 0.00 C ATOM 0 H ALA A 50 -0.114 -1.061 -1.753 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.001 1.187 -3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.481 1.182 -3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.829 -0.458 -3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.352 0.069 -1.741 1.00 0.00 H new ATOM 825 N LEU A 51 -0.825 1.960 -0.216 1.00 0.00 N ATOM 826 CA LEU A 51 -0.940 3.067 0.710 1.00 0.00 C ATOM 827 C LEU A 51 0.404 3.773 0.881 1.00 0.00 C ATOM 828 O LEU A 51 0.453 4.991 1.053 1.00 0.00 O ATOM 829 CB LEU A 51 -1.478 2.563 2.056 1.00 0.00 C ATOM 830 CG LEU A 51 -1.213 3.478 3.247 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.616 4.899 2.913 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.940 2.987 4.493 1.00 0.00 C ATOM 0 H LEU A 51 -0.964 1.042 0.205 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.643 3.796 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.554 2.414 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.037 1.588 2.263 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.144 3.459 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.422 5.543 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.038 5.250 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.678 4.928 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.731 3.660 5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.013 2.966 4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.596 1.983 4.743 1.00 0.00 H new ATOM 844 N ASN A 52 1.494 3.010 0.826 1.00 0.00 N ATOM 845 CA ASN A 52 2.827 3.587 0.968 1.00 0.00 C ATOM 846 C ASN A 52 3.911 2.592 0.559 1.00 0.00 C ATOM 847 O ASN A 52 4.295 1.723 1.342 1.00 0.00 O ATOM 848 CB ASN A 52 3.053 4.051 2.411 1.00 0.00 C ATOM 849 CG ASN A 52 3.328 5.538 2.510 1.00 0.00 C ATOM 850 OD1 ASN A 52 2.818 6.217 3.402 1.00 0.00 O ATOM 851 ND2 ASN A 52 4.137 6.054 1.594 1.00 0.00 N ATOM 0 H ASN A 52 1.480 2.000 0.685 1.00 0.00 H new ATOM 0 HA ASN A 52 2.892 4.447 0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.175 3.807 3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.892 3.501 2.838 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.358 7.050 1.611 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.538 5.455 0.872 1.00 0.00 H new ATOM 858 N ARG A 53 4.406 2.737 -0.674 1.00 0.00 N ATOM 859 CA ARG A 53 5.456 1.864 -1.208 1.00 0.00 C ATOM 860 C ARG A 53 6.482 1.516 -0.131 1.00 0.00 C ATOM 861 O ARG A 53 7.017 0.408 -0.102 1.00 0.00 O ATOM 862 CB ARG A 53 6.155 2.542 -2.391 1.00 0.00 C ATOM 863 CG ARG A 53 6.921 1.581 -3.289 1.00 0.00 C ATOM 864 CD ARG A 53 7.361 2.253 -4.583 1.00 0.00 C ATOM 865 NE ARG A 53 8.718 1.859 -4.966 1.00 0.00 N ATOM 866 CZ ARG A 53 9.596 2.669 -5.558 1.00 0.00 C ATOM 867 NH1 ARG A 53 9.251 3.901 -5.900 1.00 0.00 N ATOM 868 NH2 ARG A 53 10.820 2.236 -5.821 1.00 0.00 N ATOM 0 H ARG A 53 4.093 3.457 -1.326 1.00 0.00 H new ATOM 0 HA ARG A 53 4.987 0.940 -1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.409 3.066 -2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.845 3.295 -2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.795 1.205 -2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.294 0.720 -3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.667 1.992 -5.382 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.317 3.336 -4.464 1.00 0.00 H new ATOM 0 HE ARG A 53 9.011 0.902 -4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.307 4.237 -5.711 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.930 4.514 -6.353 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.089 1.285 -5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.493 2.854 -6.274 1.00 0.00 H new ATOM 882 N ASP A 54 6.741 2.471 0.758 1.00 0.00 N ATOM 883 CA ASP A 54 7.690 2.266 1.844 1.00 0.00 C ATOM 884 C ASP A 54 6.974 1.723 3.080 1.00 0.00 C ATOM 885 O ASP A 54 5.935 2.245 3.480 1.00 0.00 O ATOM 886 CB ASP A 54 8.403 3.577 2.187 1.00 0.00 C ATOM 887 CG ASP A 54 9.327 4.042 1.077 1.00 0.00 C ATOM 888 OD1 ASP A 54 9.434 3.333 0.055 1.00 0.00 O ATOM 889 OD2 ASP A 54 9.943 5.118 1.232 1.00 0.00 O ATOM 0 H ASP A 54 6.306 3.394 0.746 1.00 0.00 H new ATOM 0 HA ASP A 54 8.433 1.538 1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.660 4.350 2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.978 3.445 3.103 1.00 0.00 H new ATOM 894 N PRO A 55 7.518 0.662 3.702 1.00 0.00 N ATOM 895 CA PRO A 55 6.916 0.058 4.893 1.00 0.00 C ATOM 896 C PRO A 55 7.078 0.934 6.127 1.00 0.00 C ATOM 897 O PRO A 55 6.178 1.023 6.962 1.00 0.00 O ATOM 898 CB PRO A 55 7.692 -1.249 5.056 1.00 0.00 C ATOM 899 CG PRO A 55 9.018 -0.979 4.435 1.00 0.00 C ATOM 900 CD PRO A 55 8.758 -0.028 3.298 1.00 0.00 C ATOM 0 HA PRO A 55 5.841 -0.081 4.784 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.794 -1.521 6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.184 -2.076 4.561 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.706 -0.543 5.159 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.476 -1.901 4.076 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.582 0.673 3.165 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.633 -0.557 2.353 1.00 0.00 H new ATOM 908 N GLN A 56 8.233 1.582 6.233 1.00 0.00 N ATOM 909 CA GLN A 56 8.517 2.454 7.364 1.00 0.00 C ATOM 910 C GLN A 56 7.484 3.573 7.460 1.00 0.00 C ATOM 911 O GLN A 56 7.177 4.056 8.551 1.00 0.00 O ATOM 912 CB GLN A 56 9.920 3.053 7.231 1.00 0.00 C ATOM 913 CG GLN A 56 10.848 2.691 8.379 1.00 0.00 C ATOM 914 CD GLN A 56 11.491 3.909 9.016 1.00 0.00 C ATOM 915 OE1 GLN A 56 10.800 4.814 9.487 1.00 0.00 O ATOM 916 NE2 GLN A 56 12.819 3.938 9.034 1.00 0.00 N ATOM 0 H GLN A 56 8.987 1.519 5.549 1.00 0.00 H new ATOM 0 HA GLN A 56 8.467 1.856 8.274 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.364 2.713 6.295 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.838 4.138 7.169 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.287 2.143 9.136 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.628 2.022 8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.351 3.166 8.632 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.306 4.732 9.450 1.00 0.00 H new ATOM 925 N HIS A 57 6.951 3.981 6.313 1.00 0.00 N ATOM 926 CA HIS A 57 5.956 5.045 6.284 1.00 0.00 C ATOM 927 C HIS A 57 4.638 4.570 6.876 1.00 0.00 C ATOM 928 O HIS A 57 4.175 5.102 7.879 1.00 0.00 O ATOM 929 CB HIS A 57 5.744 5.541 4.852 1.00 0.00 C ATOM 930 CG HIS A 57 6.000 7.005 4.682 1.00 0.00 C ATOM 931 ND1 HIS A 57 5.216 7.979 5.262 1.00 0.00 N ATOM 932 CD2 HIS A 57 6.961 7.663 3.990 1.00 0.00 C ATOM 933 CE1 HIS A 57 5.680 9.171 4.935 1.00 0.00 C ATOM 934 NE2 HIS A 57 6.739 9.007 4.164 1.00 0.00 N ATOM 0 H HIS A 57 7.189 3.595 5.399 1.00 0.00 H new ATOM 0 HA HIS A 57 6.327 5.872 6.890 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.401 4.986 4.183 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.720 5.322 4.548 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.754 7.214 3.410 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.264 10.118 5.245 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.301 9.757 3.762 1.00 0.00 H new ATOM 942 N LEU A 58 4.042 3.566 6.248 1.00 0.00 N ATOM 943 CA LEU A 58 2.772 3.013 6.712 1.00 0.00 C ATOM 944 C LEU A 58 2.787 2.788 8.222 1.00 0.00 C ATOM 945 O LEU A 58 1.832 3.124 8.921 1.00 0.00 O ATOM 946 CB LEU A 58 2.488 1.688 6.004 1.00 0.00 C ATOM 947 CG LEU A 58 1.161 1.627 5.247 1.00 0.00 C ATOM 948 CD1 LEU A 58 1.405 1.658 3.742 1.00 0.00 C ATOM 949 CD2 LEU A 58 0.380 0.382 5.643 1.00 0.00 C ATOM 0 H LEU A 58 4.417 3.115 5.413 1.00 0.00 H new ATOM 0 HA LEU A 58 1.987 3.732 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.298 1.488 5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.503 0.888 6.744 1.00 0.00 H new ATOM 0 HG LEU A 58 0.567 2.501 5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.450 1.614 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.923 2.580 3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.017 0.803 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.562 0.354 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.965 -0.506 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.176 0.405 6.714 1.00 0.00 H new ATOM 961 N LEU A 59 3.878 2.214 8.714 1.00 0.00 N ATOM 962 CA LEU A 59 4.016 1.932 10.138 1.00 0.00 C ATOM 963 C LEU A 59 3.854 3.202 10.962 1.00 0.00 C ATOM 964 O LEU A 59 3.033 3.260 11.879 1.00 0.00 O ATOM 965 CB LEU A 59 5.372 1.281 10.420 1.00 0.00 C ATOM 966 CG LEU A 59 5.352 0.132 11.433 1.00 0.00 C ATOM 967 CD1 LEU A 59 5.098 0.662 12.835 1.00 0.00 C ATOM 968 CD2 LEU A 59 4.306 -0.908 11.052 1.00 0.00 C ATOM 0 H LEU A 59 4.680 1.935 8.149 1.00 0.00 H new ATOM 0 HA LEU A 59 3.227 1.238 10.427 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.779 0.907 9.480 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.056 2.049 10.781 1.00 0.00 H new ATOM 0 HG LEU A 59 6.329 -0.351 11.420 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.087 -0.168 13.541 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.888 1.361 13.109 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.136 1.174 12.862 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.310 -1.714 11.786 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.321 -0.442 11.030 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.538 -1.313 10.067 1.00 0.00 H new ATOM 980 N LYS A 60 4.636 4.217 10.628 1.00 0.00 N ATOM 981 CA LYS A 60 4.571 5.485 11.336 1.00 0.00 C ATOM 982 C LYS A 60 3.233 6.177 11.094 1.00 0.00 C ATOM 983 O LYS A 60 2.769 6.942 11.930 1.00 0.00 O ATOM 984 CB LYS A 60 5.715 6.398 10.894 1.00 0.00 C ATOM 985 CG LYS A 60 7.093 5.858 11.236 1.00 0.00 C ATOM 986 CD LYS A 60 7.251 5.630 12.731 1.00 0.00 C ATOM 987 CE LYS A 60 7.134 6.932 13.508 1.00 0.00 C ATOM 988 NZ LYS A 60 5.787 7.096 14.120 1.00 0.00 N ATOM 0 H LYS A 60 5.321 4.187 9.873 1.00 0.00 H new ATOM 0 HA LYS A 60 4.667 5.281 12.403 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.651 6.550 9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.591 7.375 11.362 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.259 4.921 10.705 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.854 6.558 10.892 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.490 4.930 13.076 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.220 5.172 12.930 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.893 6.957 14.290 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.334 7.771 12.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.873 7.624 15.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.170 7.619 13.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.376 6.160 14.310 1.00 0.00 H new ATOM 1002 N PHE A 61 2.623 5.906 9.943 1.00 0.00 N ATOM 1003 CA PHE A 61 1.340 6.509 9.588 1.00 0.00 C ATOM 1004 C PHE A 61 0.220 5.950 10.455 1.00 0.00 C ATOM 1005 O PHE A 61 -0.559 6.699 11.046 1.00 0.00 O ATOM 1006 CB PHE A 61 1.034 6.272 8.107 1.00 0.00 C ATOM 1007 CG PHE A 61 0.913 7.542 7.316 1.00 0.00 C ATOM 1008 CD1 PHE A 61 2.038 8.151 6.782 1.00 0.00 C ATOM 1009 CD2 PHE A 61 -0.326 8.132 7.111 1.00 0.00 C ATOM 1010 CE1 PHE A 61 1.931 9.323 6.058 1.00 0.00 C ATOM 1011 CE2 PHE A 61 -0.438 9.306 6.388 1.00 0.00 C ATOM 1012 CZ PHE A 61 0.691 9.902 5.862 1.00 0.00 C ATOM 0 H PHE A 61 2.997 5.271 9.238 1.00 0.00 H new ATOM 0 HA PHE A 61 1.406 7.582 9.766 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.822 5.656 7.674 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.105 5.708 8.021 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.009 7.704 6.934 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.212 7.670 7.520 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.815 9.786 5.646 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.408 9.756 6.235 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.605 10.819 5.298 1.00 0.00 H new ATOM 1022 N LEU A 62 0.149 4.629 10.528 1.00 0.00 N ATOM 1023 CA LEU A 62 -0.867 3.961 11.321 1.00 0.00 C ATOM 1024 C LEU A 62 -0.799 4.416 12.778 1.00 0.00 C ATOM 1025 O LEU A 62 -1.825 4.671 13.401 1.00 0.00 O ATOM 1026 CB LEU A 62 -0.668 2.446 11.239 1.00 0.00 C ATOM 1027 CG LEU A 62 -1.085 1.808 9.911 1.00 0.00 C ATOM 1028 CD1 LEU A 62 -0.039 0.810 9.435 1.00 0.00 C ATOM 1029 CD2 LEU A 62 -2.434 1.127 10.055 1.00 0.00 C ATOM 0 H LEU A 62 0.787 3.998 10.044 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.848 4.221 10.924 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.384 2.223 11.417 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.234 1.977 12.044 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.166 2.598 9.165 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.359 0.371 8.490 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.914 1.321 9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.078 0.023 10.180 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.718 0.678 9.103 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.370 0.351 10.818 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.184 1.862 10.347 1.00 0.00 H new ATOM 1041 N LEU A 63 0.415 4.527 13.310 1.00 0.00 N ATOM 1042 CA LEU A 63 0.607 4.958 14.693 1.00 0.00 C ATOM 1043 C LEU A 63 0.401 6.468 14.838 1.00 0.00 C ATOM 1044 O LEU A 63 -0.076 6.939 15.869 1.00 0.00 O ATOM 1045 CB LEU A 63 2.006 4.580 15.185 1.00 0.00 C ATOM 1046 CG LEU A 63 2.119 3.191 15.816 1.00 0.00 C ATOM 1047 CD1 LEU A 63 3.572 2.744 15.853 1.00 0.00 C ATOM 1048 CD2 LEU A 63 1.526 3.191 17.218 1.00 0.00 C ATOM 0 H LEU A 63 1.279 4.325 12.807 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.138 4.447 15.303 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.698 4.637 14.344 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.330 5.321 15.916 1.00 0.00 H new ATOM 0 HG LEU A 63 1.555 2.487 15.205 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.637 1.754 16.305 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.967 2.706 14.838 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.155 3.451 16.443 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.615 2.195 17.651 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.063 3.907 17.840 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.474 3.472 17.168 1.00 0.00 H new ATOM 1060 N ARG A 64 0.774 7.218 13.804 1.00 0.00 N ATOM 1061 CA ARG A 64 0.637 8.674 13.833 1.00 0.00 C ATOM 1062 C ARG A 64 -0.810 9.079 14.092 1.00 0.00 C ATOM 1063 O ARG A 64 -1.071 10.063 14.785 1.00 0.00 O ATOM 1064 CB ARG A 64 1.133 9.301 12.527 1.00 0.00 C ATOM 1065 CG ARG A 64 1.519 10.768 12.661 1.00 0.00 C ATOM 1066 CD ARG A 64 2.744 10.952 13.546 1.00 0.00 C ATOM 1067 NE ARG A 64 2.797 12.288 14.139 1.00 0.00 N ATOM 1068 CZ ARG A 64 3.711 12.669 15.029 1.00 0.00 C ATOM 1069 NH1 ARG A 64 4.650 11.821 15.433 1.00 0.00 N ATOM 1070 NH2 ARG A 64 3.688 13.902 15.517 1.00 0.00 N ATOM 0 H ARG A 64 1.171 6.846 12.941 1.00 0.00 H new ATOM 0 HA ARG A 64 1.255 9.046 14.650 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.995 8.739 12.169 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.354 9.207 11.770 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.719 11.183 11.673 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.682 11.327 13.078 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.734 10.204 14.339 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.645 10.781 12.957 1.00 0.00 H new ATOM 0 HE ARG A 64 2.092 12.968 13.854 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.674 10.871 15.061 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.347 12.119 16.115 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.970 14.558 15.210 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.388 14.194 16.199 1.00 0.00 H new ATOM 1084 N GLU A 65 -1.751 8.315 13.545 1.00 0.00 N ATOM 1085 CA GLU A 65 -3.167 8.609 13.737 1.00 0.00 C ATOM 1086 C GLU A 65 -3.772 7.710 14.812 1.00 0.00 C ATOM 1087 O GLU A 65 -4.786 8.052 15.418 1.00 0.00 O ATOM 1088 CB GLU A 65 -3.937 8.448 12.426 1.00 0.00 C ATOM 1089 CG GLU A 65 -3.773 9.628 11.480 1.00 0.00 C ATOM 1090 CD GLU A 65 -3.870 9.229 10.021 1.00 0.00 C ATOM 1091 OE1 GLU A 65 -4.982 8.879 9.573 1.00 0.00 O ATOM 1092 OE2 GLU A 65 -2.834 9.272 9.325 1.00 0.00 O ATOM 0 H GLU A 65 -1.561 7.494 12.970 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.249 9.645 14.066 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.600 7.541 11.925 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.996 8.315 12.649 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.538 10.373 11.700 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.807 10.100 11.659 1.00 0.00 H new ATOM 1099 N LEU A 66 -3.144 6.560 15.047 1.00 0.00 N ATOM 1100 CA LEU A 66 -3.627 5.624 16.054 1.00 0.00 C ATOM 1101 C LEU A 66 -3.239 6.088 17.454 1.00 0.00 C ATOM 1102 O LEU A 66 -2.325 5.539 18.070 1.00 0.00 O ATOM 1103 CB LEU A 66 -3.067 4.220 15.800 1.00 0.00 C ATOM 1104 CG LEU A 66 -3.933 3.307 14.923 1.00 0.00 C ATOM 1105 CD1 LEU A 66 -4.482 4.051 13.710 1.00 0.00 C ATOM 1106 CD2 LEU A 66 -3.136 2.089 14.485 1.00 0.00 C ATOM 0 H LEU A 66 -2.303 6.257 14.555 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.714 5.589 15.984 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.087 4.319 15.333 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.914 3.730 16.762 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.784 2.978 15.520 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.091 3.373 13.112 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.094 4.889 14.044 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.654 4.424 13.106 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.762 1.449 13.863 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.265 2.410 13.914 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.809 1.533 15.364 1.00 0.00 H new ATOM 1118 N GLY A 67 -3.944 7.095 17.957 1.00 0.00 N ATOM 1119 CA GLY A 67 -3.657 7.601 19.286 1.00 0.00 C ATOM 1120 C GLY A 67 -4.037 6.611 20.374 1.00 0.00 C ATOM 1121 O GLY A 67 -3.765 6.839 21.552 1.00 0.00 O ATOM 0 H GLY A 67 -4.706 7.568 17.471 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.595 7.832 19.363 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.198 8.534 19.442 1.00 0.00 H new ATOM 1125 N THR A 68 -4.667 5.510 19.972 1.00 0.00 N ATOM 1126 CA THR A 68 -5.091 4.477 20.907 1.00 0.00 C ATOM 1127 C THR A 68 -4.023 3.394 21.035 1.00 0.00 C ATOM 1128 O THR A 68 -3.068 3.361 20.259 1.00 0.00 O ATOM 1129 CB THR A 68 -6.416 3.866 20.448 1.00 0.00 C ATOM 1130 OG1 THR A 68 -6.207 2.932 19.403 1.00 0.00 O ATOM 1131 CG2 THR A 68 -7.403 4.899 19.947 1.00 0.00 C ATOM 0 H THR A 68 -4.895 5.312 18.998 1.00 0.00 H new ATOM 0 HA THR A 68 -5.233 4.933 21.887 1.00 0.00 H new ATOM 0 HB THR A 68 -6.832 3.380 21.331 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.669 3.347 18.696 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.322 4.403 19.636 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.625 5.607 20.745 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.973 5.431 19.098 1.00 0.00 H new ATOM 1139 N ALA A 69 -4.194 2.521 22.030 1.00 0.00 N ATOM 1140 CA ALA A 69 -3.256 1.424 22.297 1.00 0.00 C ATOM 1141 C ALA A 69 -2.440 1.032 21.064 1.00 0.00 C ATOM 1142 O ALA A 69 -1.211 1.071 21.086 1.00 0.00 O ATOM 1143 CB ALA A 69 -4.012 0.217 22.829 1.00 0.00 C ATOM 0 H ALA A 69 -4.985 2.553 22.674 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.548 1.779 23.046 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.311 -0.594 23.025 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.523 0.486 23.753 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.745 -0.108 22.090 1.00 0.00 H new ATOM 1149 N GLY A 70 -3.131 0.657 19.992 1.00 0.00 N ATOM 1150 CA GLY A 70 -2.448 0.268 18.771 1.00 0.00 C ATOM 1151 C GLY A 70 -1.648 -1.013 18.924 1.00 0.00 C ATOM 1152 O GLY A 70 -0.527 -0.994 19.434 1.00 0.00 O ATOM 0 H GLY A 70 -4.149 0.615 19.947 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.182 0.139 17.975 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.781 1.072 18.462 1.00 0.00 H new ATOM 1156 N ASN A 71 -2.220 -2.128 18.477 1.00 0.00 N ATOM 1157 CA ASN A 71 -1.550 -3.423 18.560 1.00 0.00 C ATOM 1158 C ASN A 71 -2.219 -4.442 17.639 1.00 0.00 C ATOM 1159 O ASN A 71 -3.352 -4.251 17.206 1.00 0.00 O ATOM 1160 CB ASN A 71 -1.541 -3.930 20.006 1.00 0.00 C ATOM 1161 CG ASN A 71 -0.139 -4.006 20.583 1.00 0.00 C ATOM 1162 OD1 ASN A 71 0.197 -3.290 21.527 1.00 0.00 O ATOM 1163 ND2 ASN A 71 0.691 -4.877 20.018 1.00 0.00 N ATOM 0 H ASN A 71 -3.147 -2.161 18.053 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.519 -3.294 18.231 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.150 -3.270 20.624 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.001 -4.917 20.045 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.646 -4.971 20.365 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.373 -5.452 19.238 1.00 0.00 H new ATOM 1170 N LEU A 72 -1.510 -5.526 17.343 1.00 0.00 N ATOM 1171 CA LEU A 72 -2.032 -6.573 16.470 1.00 0.00 C ATOM 1172 C LEU A 72 -2.908 -7.550 17.264 1.00 0.00 C ATOM 1173 O LEU A 72 -2.420 -8.291 18.115 1.00 0.00 O ATOM 1174 CB LEU A 72 -0.848 -7.271 15.764 1.00 0.00 C ATOM 1175 CG LEU A 72 -0.896 -8.800 15.635 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -0.470 -9.466 16.937 1.00 0.00 C ATOM 1177 CD2 LEU A 72 -2.278 -9.268 15.203 1.00 0.00 C ATOM 0 H LEU A 72 -0.569 -5.703 17.696 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.675 -6.141 15.703 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.761 -6.852 14.761 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.064 -7.008 16.299 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.189 -9.097 14.860 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.512 -10.549 16.822 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.549 -9.166 17.183 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.142 -9.160 17.739 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.284 -10.355 15.119 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.015 -8.957 15.943 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.526 -8.828 14.237 1.00 0.00 H new ATOM 1189 N GLU A 73 -4.211 -7.541 16.968 1.00 0.00 N ATOM 1190 CA GLU A 73 -5.166 -8.426 17.633 1.00 0.00 C ATOM 1191 C GLU A 73 -5.592 -9.552 16.694 1.00 0.00 C ATOM 1192 O GLU A 73 -5.633 -9.366 15.476 1.00 0.00 O ATOM 1193 CB GLU A 73 -6.403 -7.646 18.095 1.00 0.00 C ATOM 1194 CG GLU A 73 -6.240 -6.941 19.431 1.00 0.00 C ATOM 1195 CD GLU A 73 -5.705 -7.850 20.518 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -4.474 -8.050 20.573 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -6.518 -8.357 21.319 1.00 0.00 O ATOM 0 H GLU A 73 -4.628 -6.927 16.269 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.674 -8.854 18.507 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.654 -6.905 17.336 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.246 -8.333 18.162 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.565 -6.094 19.309 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.204 -6.538 19.743 1.00 0.00 H new ATOM 1204 N GLY A 74 -5.924 -10.707 17.260 1.00 0.00 N ATOM 1205 CA GLY A 74 -6.354 -11.831 16.447 1.00 0.00 C ATOM 1206 C GLY A 74 -5.269 -12.300 15.501 1.00 0.00 C ATOM 1207 O GLY A 74 -4.186 -11.719 15.455 1.00 0.00 O ATOM 0 H GLY A 74 -5.903 -10.886 18.264 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.649 -12.655 17.096 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.236 -11.546 15.873 1.00 0.00 H new ATOM 1211 N GLY A 75 -5.555 -13.357 14.747 1.00 0.00 N ATOM 1212 CA GLY A 75 -4.574 -13.880 13.813 1.00 0.00 C ATOM 1213 C GLY A 75 -4.151 -12.853 12.781 1.00 0.00 C ATOM 1214 O GLY A 75 -3.006 -12.852 12.328 1.00 0.00 O ATOM 0 H GLY A 75 -6.443 -13.858 14.765 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.697 -14.219 14.364 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.988 -14.751 13.306 1.00 0.00 H new ATOM 1218 N ARG A 76 -5.074 -11.971 12.415 1.00 0.00 N ATOM 1219 CA ARG A 76 -4.789 -10.928 11.437 1.00 0.00 C ATOM 1220 C ARG A 76 -4.290 -9.671 12.142 1.00 0.00 C ATOM 1221 O ARG A 76 -4.106 -9.683 13.357 1.00 0.00 O ATOM 1222 CB ARG A 76 -6.038 -10.627 10.610 1.00 0.00 C ATOM 1223 CG ARG A 76 -6.279 -11.625 9.486 1.00 0.00 C ATOM 1224 CD ARG A 76 -5.586 -11.208 8.198 1.00 0.00 C ATOM 1225 NE ARG A 76 -4.220 -10.748 8.435 1.00 0.00 N ATOM 1226 CZ ARG A 76 -3.209 -11.555 8.745 1.00 0.00 C ATOM 1227 NH1 ARG A 76 -3.406 -12.864 8.867 1.00 0.00 N ATOM 1228 NH2 ARG A 76 -2.001 -11.053 8.950 1.00 0.00 N ATOM 0 H ARG A 76 -6.026 -11.957 12.781 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.007 -11.277 10.762 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.906 -10.618 11.269 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.950 -9.627 10.185 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.919 -12.608 9.790 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.350 -11.719 9.308 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.570 -12.050 7.506 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.158 -10.413 7.720 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.030 -9.749 8.358 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.337 -13.255 8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.626 -13.477 9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.846 -10.048 8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.225 -11.671 9.188 1.00 0.00 H new ATOM 1242 N ALA A 77 -4.068 -8.587 11.396 1.00 0.00 N ATOM 1243 CA ALA A 77 -3.583 -7.356 12.012 1.00 0.00 C ATOM 1244 C ALA A 77 -4.736 -6.461 12.437 1.00 0.00 C ATOM 1245 O ALA A 77 -5.094 -5.505 11.744 1.00 0.00 O ATOM 1246 CB ALA A 77 -2.631 -6.614 11.083 1.00 0.00 C ATOM 0 H ALA A 77 -4.213 -8.537 10.388 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.028 -7.633 12.908 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.286 -5.701 11.569 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.775 -7.250 10.856 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.149 -6.359 10.159 1.00 0.00 H new ATOM 1252 N ILE A 78 -5.313 -6.779 13.590 1.00 0.00 N ATOM 1253 CA ILE A 78 -6.420 -6.007 14.127 1.00 0.00 C ATOM 1254 C ILE A 78 -5.902 -4.888 15.028 1.00 0.00 C ATOM 1255 O ILE A 78 -5.759 -5.073 16.236 1.00 0.00 O ATOM 1256 CB ILE A 78 -7.374 -6.904 14.941 1.00 0.00 C ATOM 1257 CG1 ILE A 78 -7.899 -8.060 14.087 1.00 0.00 C ATOM 1258 CG2 ILE A 78 -8.527 -6.089 15.508 1.00 0.00 C ATOM 1259 CD1 ILE A 78 -8.395 -9.234 14.908 1.00 0.00 C ATOM 0 H ILE A 78 -5.029 -7.569 14.170 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.963 -5.579 13.285 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.811 -7.326 15.774 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.711 -7.697 13.457 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.106 -8.400 13.421 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.188 -6.742 16.079 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.135 -5.309 16.161 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.085 -5.632 14.691 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.753 -10.019 14.242 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.580 -9.621 15.519 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.209 -8.907 15.555 1.00 0.00 H new ATOM 1271 N LEU A 79 -5.622 -3.729 14.437 1.00 0.00 N ATOM 1272 CA LEU A 79 -5.120 -2.589 15.201 1.00 0.00 C ATOM 1273 C LEU A 79 -6.269 -1.744 15.739 1.00 0.00 C ATOM 1274 O LEU A 79 -7.432 -2.063 15.522 1.00 0.00 O ATOM 1275 CB LEU A 79 -4.198 -1.733 14.339 1.00 0.00 C ATOM 1276 CG LEU A 79 -4.880 -1.039 13.165 1.00 0.00 C ATOM 1277 CD1 LEU A 79 -5.552 0.247 13.625 1.00 0.00 C ATOM 1278 CD2 LEU A 79 -3.870 -0.755 12.071 1.00 0.00 C ATOM 0 H LEU A 79 -5.733 -3.554 13.438 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.553 -2.975 16.048 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.734 -0.975 14.970 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.396 -2.363 13.954 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.649 -1.699 12.764 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.034 0.730 12.775 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.300 0.016 14.383 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.804 0.918 14.047 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.367 -0.259 11.237 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.083 -0.109 12.461 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.433 -1.692 11.727 1.00 0.00 H new ATOM 1290 N GLN A 80 -5.933 -0.669 16.450 1.00 0.00 N ATOM 1291 CA GLN A 80 -6.943 0.213 17.034 1.00 0.00 C ATOM 1292 C GLN A 80 -6.539 1.679 16.903 1.00 0.00 C ATOM 1293 O GLN A 80 -5.429 2.057 17.276 1.00 0.00 O ATOM 1294 CB GLN A 80 -7.133 -0.136 18.513 1.00 0.00 C ATOM 1295 CG GLN A 80 -8.514 0.190 19.063 1.00 0.00 C ATOM 1296 CD GLN A 80 -8.870 -0.670 20.261 1.00 0.00 C ATOM 1297 OE1 GLN A 80 -8.260 -1.715 20.490 1.00 0.00 O ATOM 1298 NE2 GLN A 80 -9.856 -0.233 21.035 1.00 0.00 N ATOM 0 H GLN A 80 -4.970 -0.388 16.636 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.878 0.067 16.493 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.943 -1.200 18.650 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.386 0.399 19.099 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.551 1.241 19.348 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.259 0.046 18.280 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.335 0.639 20.808 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.135 -0.769 21.857 1.00 0.00 H new ATOM 1307 N GLY A 81 -7.447 2.502 16.381 1.00 0.00 N ATOM 1308 CA GLY A 81 -7.157 3.917 16.225 1.00 0.00 C ATOM 1309 C GLY A 81 -8.150 4.628 15.326 1.00 0.00 C ATOM 1310 O GLY A 81 -9.353 4.610 15.581 1.00 0.00 O ATOM 0 H GLY A 81 -8.373 2.215 16.065 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.157 4.393 17.206 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.154 4.034 15.814 1.00 0.00 H new ATOM 1314 N LYS A 82 -7.640 5.265 14.274 1.00 0.00 N ATOM 1315 CA LYS A 82 -8.488 5.996 13.336 1.00 0.00 C ATOM 1316 C LYS A 82 -8.055 5.752 11.891 1.00 0.00 C ATOM 1317 O LYS A 82 -8.016 6.679 11.082 1.00 0.00 O ATOM 1318 CB LYS A 82 -8.443 7.494 13.648 1.00 0.00 C ATOM 1319 CG LYS A 82 -9.818 8.132 13.776 1.00 0.00 C ATOM 1320 CD LYS A 82 -10.108 9.077 12.620 1.00 0.00 C ATOM 1321 CE LYS A 82 -11.534 8.923 12.116 1.00 0.00 C ATOM 1322 NZ LYS A 82 -11.931 10.044 11.221 1.00 0.00 N ATOM 0 H LYS A 82 -6.645 5.290 14.050 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.509 5.632 13.450 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.893 7.647 14.577 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.887 8.004 12.861 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.579 7.353 13.809 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.880 8.678 14.717 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.944 10.106 12.940 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.410 8.881 11.806 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.629 7.979 11.579 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.216 8.877 12.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.729 10.560 11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.127 10.692 11.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.215 9.665 10.295 1.00 0.00 H new ATOM 1336 N PHE A 83 -7.735 4.503 11.567 1.00 0.00 N ATOM 1337 CA PHE A 83 -7.312 4.153 10.214 1.00 0.00 C ATOM 1338 C PHE A 83 -8.405 3.372 9.490 1.00 0.00 C ATOM 1339 O PHE A 83 -8.137 2.368 8.830 1.00 0.00 O ATOM 1340 CB PHE A 83 -6.016 3.342 10.252 1.00 0.00 C ATOM 1341 CG PHE A 83 -4.818 4.117 9.784 1.00 0.00 C ATOM 1342 CD1 PHE A 83 -4.398 5.250 10.462 1.00 0.00 C ATOM 1343 CD2 PHE A 83 -4.111 3.709 8.665 1.00 0.00 C ATOM 1344 CE1 PHE A 83 -3.293 5.961 10.029 1.00 0.00 C ATOM 1345 CE2 PHE A 83 -3.008 4.415 8.230 1.00 0.00 C ATOM 1346 CZ PHE A 83 -2.599 5.542 8.914 1.00 0.00 C ATOM 0 H PHE A 83 -7.760 3.719 12.219 1.00 0.00 H new ATOM 0 HA PHE A 83 -7.130 5.077 9.665 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.841 2.996 11.271 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.132 2.455 9.630 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.938 5.581 11.337 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.427 2.828 8.126 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.974 6.843 10.564 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.466 4.086 7.356 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.735 6.095 8.576 1.00 0.00 H new ATOM 1356 N THR A 84 -9.638 3.847 9.615 1.00 0.00 N ATOM 1357 CA THR A 84 -10.776 3.203 8.971 1.00 0.00 C ATOM 1358 C THR A 84 -10.825 3.571 7.490 1.00 0.00 C ATOM 1359 O THR A 84 -11.614 4.417 7.069 1.00 0.00 O ATOM 1360 CB THR A 84 -12.076 3.607 9.669 1.00 0.00 C ATOM 1361 OG1 THR A 84 -12.477 4.907 9.277 1.00 0.00 O ATOM 1362 CG2 THR A 84 -11.973 3.596 11.182 1.00 0.00 C ATOM 0 H THR A 84 -9.876 4.677 10.157 1.00 0.00 H new ATOM 0 HA THR A 84 -10.661 2.122 9.053 1.00 0.00 H new ATOM 0 HB THR A 84 -12.809 2.860 9.364 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.704 4.906 8.324 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.929 3.892 11.614 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.716 2.593 11.522 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.199 4.295 11.499 1.00 0.00 H new ATOM 1370 N HIS A 85 -9.954 2.934 6.711 1.00 0.00 N ATOM 1371 CA HIS A 85 -9.852 3.181 5.273 1.00 0.00 C ATOM 1372 C HIS A 85 -9.907 4.674 4.965 1.00 0.00 C ATOM 1373 O HIS A 85 -10.479 5.092 3.958 1.00 0.00 O ATOM 1374 CB HIS A 85 -10.979 2.462 4.531 1.00 0.00 C ATOM 1375 CG HIS A 85 -12.343 2.976 4.874 1.00 0.00 C ATOM 1376 ND1 HIS A 85 -12.879 4.120 4.323 1.00 0.00 N ATOM 1377 CD2 HIS A 85 -13.282 2.498 5.726 1.00 0.00 C ATOM 1378 CE1 HIS A 85 -14.085 4.327 4.820 1.00 0.00 C ATOM 1379 NE2 HIS A 85 -14.355 3.356 5.674 1.00 0.00 N ATOM 0 H HIS A 85 -9.299 2.233 7.057 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.891 2.794 4.935 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.820 2.565 3.458 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.932 1.397 4.760 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -12.415 4.715 3.637 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -13.202 1.608 6.333 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -14.739 5.150 4.571 1.00 0.00 H new ATOM 1387 N PHE A 86 -9.287 5.468 5.828 1.00 0.00 N ATOM 1388 CA PHE A 86 -9.244 6.910 5.640 1.00 0.00 C ATOM 1389 C PHE A 86 -7.992 7.308 4.871 1.00 0.00 C ATOM 1390 O PHE A 86 -8.034 7.531 3.661 1.00 0.00 O ATOM 1391 CB PHE A 86 -9.305 7.632 6.988 1.00 0.00 C ATOM 1392 CG PHE A 86 -10.600 8.363 7.202 1.00 0.00 C ATOM 1393 CD1 PHE A 86 -10.759 9.665 6.753 1.00 0.00 C ATOM 1394 CD2 PHE A 86 -11.659 7.746 7.847 1.00 0.00 C ATOM 1395 CE1 PHE A 86 -11.951 10.337 6.944 1.00 0.00 C ATOM 1396 CE2 PHE A 86 -12.853 8.412 8.041 1.00 0.00 C ATOM 1397 CZ PHE A 86 -12.999 9.710 7.590 1.00 0.00 C ATOM 0 H PHE A 86 -8.807 5.137 6.665 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.115 7.208 5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -9.167 6.906 7.790 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.479 8.340 7.053 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -9.942 10.159 6.248 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.550 6.732 8.202 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.063 11.351 6.589 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -13.672 7.919 8.544 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.931 10.234 7.742 1.00 0.00 H new ATOM 1407 N LEU A 87 -6.876 7.389 5.587 1.00 0.00 N ATOM 1408 CA LEU A 87 -5.603 7.753 4.984 1.00 0.00 C ATOM 1409 C LEU A 87 -5.127 6.659 4.032 1.00 0.00 C ATOM 1410 O LEU A 87 -4.498 6.940 3.012 1.00 0.00 O ATOM 1411 CB LEU A 87 -4.555 7.998 6.077 1.00 0.00 C ATOM 1412 CG LEU A 87 -3.980 9.416 6.129 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -3.440 9.828 4.770 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -5.033 10.405 6.611 1.00 0.00 C ATOM 0 H LEU A 87 -6.829 7.206 6.589 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.739 8.671 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.003 7.770 7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.734 7.296 5.933 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.154 9.422 6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.036 10.839 4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.651 9.139 4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.245 9.802 4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.605 11.407 6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.882 10.394 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.367 10.123 7.610 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.434 5.407 4.372 1.00 0.00 N ATOM 1427 CA ILE A 88 -5.036 4.274 3.545 1.00 0.00 C ATOM 1428 C ILE A 88 -5.628 4.380 2.142 1.00 0.00 C ATOM 1429 O ILE A 88 -4.901 4.451 1.150 1.00 0.00 O ATOM 1430 CB ILE A 88 -5.491 2.930 4.159 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -5.150 2.845 5.657 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -4.860 1.771 3.403 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -5.463 1.488 6.261 1.00 0.00 C ATOM 0 H ILE A 88 -5.955 5.155 5.212 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.948 4.300 3.493 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.575 2.869 4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.091 3.063 5.796 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.706 3.613 6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.187 0.829 3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.166 1.809 2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.774 1.844 3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.201 1.491 7.319 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.527 1.278 6.152 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.887 0.719 5.747 1.00 0.00 H new ATOM 1445 N ASN A 89 -6.954 4.371 2.068 1.00 0.00 N ATOM 1446 CA ASN A 89 -7.654 4.446 0.791 1.00 0.00 C ATOM 1447 C ASN A 89 -7.265 5.695 0.006 1.00 0.00 C ATOM 1448 O ASN A 89 -6.927 5.615 -1.174 1.00 0.00 O ATOM 1449 CB ASN A 89 -9.166 4.419 1.017 1.00 0.00 C ATOM 1450 CG ASN A 89 -9.892 3.624 -0.050 1.00 0.00 C ATOM 1451 OD1 ASN A 89 -10.885 4.082 -0.615 1.00 0.00 O ATOM 1452 ND2 ASN A 89 -9.398 2.424 -0.332 1.00 0.00 N ATOM 0 H ASN A 89 -7.568 4.312 2.881 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.360 3.578 0.201 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.377 3.988 1.995 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.548 5.440 1.029 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -9.844 1.843 -1.042 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -8.573 2.084 0.161 1.00 0.00 H new ATOM 1459 N GLU A 90 -7.318 6.850 0.663 1.00 0.00 N ATOM 1460 CA GLU A 90 -6.974 8.111 0.012 1.00 0.00 C ATOM 1461 C GLU A 90 -5.582 8.047 -0.612 1.00 0.00 C ATOM 1462 O GLU A 90 -5.410 8.322 -1.799 1.00 0.00 O ATOM 1463 CB GLU A 90 -7.046 9.264 1.016 1.00 0.00 C ATOM 1464 CG GLU A 90 -7.801 10.475 0.495 1.00 0.00 C ATOM 1465 CD GLU A 90 -9.182 10.124 -0.029 1.00 0.00 C ATOM 1466 OE1 GLU A 90 -9.976 9.537 0.736 1.00 0.00 O ATOM 1467 OE2 GLU A 90 -9.468 10.436 -1.204 1.00 0.00 O ATOM 0 H GLU A 90 -7.594 6.939 1.641 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.697 8.286 -0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.526 8.911 1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.033 9.565 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.896 11.210 1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.223 10.943 -0.302 1.00 0.00 H new ATOM 1474 N ARG A 91 -4.596 7.683 0.197 1.00 0.00 N ATOM 1475 CA ARG A 91 -3.219 7.579 -0.271 1.00 0.00 C ATOM 1476 C ARG A 91 -3.107 6.567 -1.409 1.00 0.00 C ATOM 1477 O ARG A 91 -2.521 6.852 -2.457 1.00 0.00 O ATOM 1478 CB ARG A 91 -2.312 7.163 0.883 1.00 0.00 C ATOM 1479 CG ARG A 91 -2.073 8.263 1.906 1.00 0.00 C ATOM 1480 CD ARG A 91 -0.637 8.759 1.864 1.00 0.00 C ATOM 1481 NE ARG A 91 -0.451 9.798 0.854 1.00 0.00 N ATOM 1482 CZ ARG A 91 -0.322 11.095 1.131 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -0.358 11.524 2.387 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -0.160 11.968 0.146 1.00 0.00 N ATOM 0 H ARG A 91 -4.724 7.454 1.183 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.907 8.554 -0.646 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.752 6.302 1.386 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.352 6.840 0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.752 9.094 1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.301 7.889 2.904 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.359 9.150 2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.030 7.923 1.653 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.418 9.513 -0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.485 10.859 3.150 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.258 12.519 2.589 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.134 11.646 -0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.061 12.961 0.356 1.00 0.00 H new ATOM 1498 N ILE A 92 -3.677 5.382 -1.194 1.00 0.00 N ATOM 1499 CA ILE A 92 -3.648 4.319 -2.195 1.00 0.00 C ATOM 1500 C ILE A 92 -4.184 4.820 -3.535 1.00 0.00 C ATOM 1501 O ILE A 92 -3.506 4.745 -4.557 1.00 0.00 O ATOM 1502 CB ILE A 92 -4.504 3.110 -1.748 1.00 0.00 C ATOM 1503 CG1 ILE A 92 -3.819 2.356 -0.611 1.00 0.00 C ATOM 1504 CG2 ILE A 92 -4.776 2.165 -2.914 1.00 0.00 C ATOM 1505 CD1 ILE A 92 -4.745 1.400 0.105 1.00 0.00 C ATOM 0 H ILE A 92 -4.165 5.135 -0.333 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.608 4.010 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.459 3.495 -1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.970 1.801 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.421 3.074 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.379 1.326 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.313 2.699 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.831 1.794 -3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.200 0.894 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.581 1.954 0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.123 0.661 -0.602 1.00 0.00 H new ATOM 1517 N GLU A 93 -5.413 5.325 -3.512 1.00 0.00 N ATOM 1518 CA GLU A 93 -6.063 5.832 -4.714 1.00 0.00 C ATOM 1519 C GLU A 93 -5.311 7.026 -5.289 1.00 0.00 C ATOM 1520 O GLU A 93 -5.388 7.300 -6.487 1.00 0.00 O ATOM 1521 CB GLU A 93 -7.510 6.224 -4.406 1.00 0.00 C ATOM 1522 CG GLU A 93 -8.378 5.054 -3.971 1.00 0.00 C ATOM 1523 CD GLU A 93 -9.528 4.785 -4.923 1.00 0.00 C ATOM 1524 OE1 GLU A 93 -9.812 5.653 -5.776 1.00 0.00 O ATOM 1525 OE2 GLU A 93 -10.148 3.706 -4.815 1.00 0.00 O ATOM 0 H GLU A 93 -5.982 5.394 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.056 5.037 -5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.514 6.980 -3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.950 6.682 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.760 4.159 -3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.776 5.254 -2.976 1.00 0.00 H new ATOM 1532 N ASP A 94 -4.585 7.732 -4.433 1.00 0.00 N ATOM 1533 CA ASP A 94 -3.823 8.896 -4.863 1.00 0.00 C ATOM 1534 C ASP A 94 -2.820 8.517 -5.947 1.00 0.00 C ATOM 1535 O ASP A 94 -2.843 9.068 -7.045 1.00 0.00 O ATOM 1536 CB ASP A 94 -3.094 9.523 -3.671 1.00 0.00 C ATOM 1537 CG ASP A 94 -3.025 11.035 -3.764 1.00 0.00 C ATOM 1538 OD1 ASP A 94 -4.082 11.666 -3.968 1.00 0.00 O ATOM 1539 OD2 ASP A 94 -1.913 11.588 -3.630 1.00 0.00 O ATOM 0 H ASP A 94 -4.508 7.519 -3.438 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.520 9.625 -5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.603 9.242 -2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.083 9.119 -3.614 1.00 0.00 H new ATOM 1544 N TYR A 95 -1.942 7.571 -5.629 1.00 0.00 N ATOM 1545 CA TYR A 95 -0.929 7.108 -6.572 1.00 0.00 C ATOM 1546 C TYR A 95 -1.464 5.980 -7.449 1.00 0.00 C ATOM 1547 O TYR A 95 -1.489 6.091 -8.675 1.00 0.00 O ATOM 1548 CB TYR A 95 0.322 6.647 -5.822 1.00 0.00 C ATOM 1549 CG TYR A 95 0.828 7.655 -4.817 1.00 0.00 C ATOM 1550 CD1 TYR A 95 1.182 8.941 -5.210 1.00 0.00 C ATOM 1551 CD2 TYR A 95 0.953 7.323 -3.473 1.00 0.00 C ATOM 1552 CE1 TYR A 95 1.645 9.866 -4.293 1.00 0.00 C ATOM 1553 CE2 TYR A 95 1.415 8.243 -2.551 1.00 0.00 C ATOM 1554 CZ TYR A 95 1.759 9.512 -2.966 1.00 0.00 C ATOM 1555 OH TYR A 95 2.220 10.430 -2.050 1.00 0.00 O ATOM 0 H TYR A 95 -1.912 7.108 -4.721 1.00 0.00 H new ATOM 0 HA TYR A 95 -0.667 7.944 -7.221 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.103 5.711 -5.308 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.112 6.437 -6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.094 9.222 -6.249 1.00 0.00 H new ATOM 0 HD2 TYR A 95 0.685 6.330 -3.144 1.00 0.00 H new ATOM 0 HE1 TYR A 95 1.916 10.861 -4.615 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.506 7.969 -1.510 1.00 0.00 H new ATOM 0 HH TYR A 95 2.239 10.022 -1.159 1.00 0.00 H new ATOM 1565 N VAL A 96 -1.886 4.892 -6.808 1.00 0.00 N ATOM 1566 CA VAL A 96 -2.418 3.734 -7.520 1.00 0.00 C ATOM 1567 C VAL A 96 -3.449 4.155 -8.563 1.00 0.00 C ATOM 1568 O VAL A 96 -3.401 3.708 -9.708 1.00 0.00 O ATOM 1569 CB VAL A 96 -3.064 2.721 -6.547 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -3.691 1.558 -7.304 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -2.039 2.218 -5.541 1.00 0.00 C ATOM 0 H VAL A 96 -1.869 4.789 -5.793 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.576 3.256 -8.021 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.858 3.234 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.138 0.861 -6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.461 1.935 -7.977 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.923 1.044 -7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.512 1.506 -4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.221 1.728 -6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.649 3.059 -4.968 1.00 0.00 H new ATOM 1581 N ASN A 97 -4.373 5.023 -8.164 1.00 0.00 N ATOM 1582 CA ASN A 97 -5.403 5.512 -9.072 1.00 0.00 C ATOM 1583 C ASN A 97 -5.183 6.991 -9.384 1.00 0.00 C ATOM 1584 O ASN A 97 -6.101 7.801 -9.265 1.00 0.00 O ATOM 1585 CB ASN A 97 -6.790 5.295 -8.460 1.00 0.00 C ATOM 1586 CG ASN A 97 -7.636 4.320 -9.259 1.00 0.00 C ATOM 1587 OD1 ASN A 97 -8.147 3.340 -8.720 1.00 0.00 O ATOM 1588 ND2 ASN A 97 -7.793 4.588 -10.551 1.00 0.00 N ATOM 0 H ASN A 97 -4.429 5.402 -7.219 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.340 4.952 -10.005 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.679 4.924 -7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.308 6.252 -8.396 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.355 3.969 -11.135 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.351 5.412 -10.958 1.00 0.00 H new ATOM 1595 N LYS A 98 -3.964 7.337 -9.794 1.00 0.00 N ATOM 1596 CA LYS A 98 -3.638 8.720 -10.132 1.00 0.00 C ATOM 1597 C LYS A 98 -4.016 9.046 -11.580 1.00 0.00 C ATOM 1598 O LYS A 98 -3.753 10.143 -12.064 1.00 0.00 O ATOM 1599 CB LYS A 98 -2.148 8.999 -9.898 1.00 0.00 C ATOM 1600 CG LYS A 98 -1.213 8.252 -10.835 1.00 0.00 C ATOM 1601 CD LYS A 98 0.229 8.707 -10.650 1.00 0.00 C ATOM 1602 CE LYS A 98 1.098 7.610 -10.051 1.00 0.00 C ATOM 1603 NZ LYS A 98 0.887 6.297 -10.721 1.00 0.00 N ATOM 0 H LYS A 98 -3.189 6.682 -9.900 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.223 9.365 -9.476 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.970 10.069 -10.005 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.899 8.735 -8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.286 7.181 -10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.520 8.417 -11.868 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.640 9.011 -11.613 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.253 9.583 -10.002 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.147 7.894 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.877 7.513 -8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.790 5.784 -10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.200 5.736 -10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.523 6.453 -11.683 1.00 0.00 H new ATOM 1617 N PHE A 99 -4.633 8.085 -12.268 1.00 0.00 N ATOM 1618 CA PHE A 99 -5.040 8.274 -13.658 1.00 0.00 C ATOM 1619 C PHE A 99 -6.313 9.118 -13.766 1.00 0.00 C ATOM 1620 O PHE A 99 -6.346 10.113 -14.489 1.00 0.00 O ATOM 1621 CB PHE A 99 -5.246 6.916 -14.336 1.00 0.00 C ATOM 1622 CG PHE A 99 -4.190 5.905 -13.985 1.00 0.00 C ATOM 1623 CD1 PHE A 99 -2.927 5.979 -14.551 1.00 0.00 C ATOM 1624 CD2 PHE A 99 -4.458 4.885 -13.086 1.00 0.00 C ATOM 1625 CE1 PHE A 99 -1.953 5.055 -14.227 1.00 0.00 C ATOM 1626 CE2 PHE A 99 -3.488 3.958 -12.759 1.00 0.00 C ATOM 1627 CZ PHE A 99 -2.233 4.043 -13.330 1.00 0.00 C ATOM 0 H PHE A 99 -4.861 7.168 -11.884 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.242 8.814 -14.167 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.223 6.522 -14.054 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.259 7.056 -15.417 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.702 6.768 -15.253 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.437 4.814 -12.636 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.973 5.124 -14.675 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.710 3.167 -12.058 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.472 3.320 -13.075 1.00 0.00 H new ATOM 1637 N VAL A 100 -7.365 8.713 -13.052 1.00 0.00 N ATOM 1638 CA VAL A 100 -8.634 9.442 -13.090 1.00 0.00 C ATOM 1639 C VAL A 100 -8.654 10.609 -12.106 1.00 0.00 C ATOM 1640 O VAL A 100 -9.649 11.329 -12.011 1.00 0.00 O ATOM 1641 CB VAL A 100 -9.847 8.529 -12.806 1.00 0.00 C ATOM 1642 CG1 VAL A 100 -10.329 7.879 -14.094 1.00 0.00 C ATOM 1643 CG2 VAL A 100 -9.512 7.474 -11.761 1.00 0.00 C ATOM 0 H VAL A 100 -7.364 7.892 -12.446 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.715 9.828 -14.106 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.650 9.147 -12.404 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.184 7.238 -13.880 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.623 8.652 -14.804 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.525 7.280 -14.522 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -10.386 6.847 -11.583 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.689 6.856 -12.119 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.221 7.963 -10.831 1.00 0.00 H new ATOM 1653 N ILE A 101 -7.557 10.805 -11.380 1.00 0.00 N ATOM 1654 CA ILE A 101 -7.471 11.900 -10.421 1.00 0.00 C ATOM 1655 C ILE A 101 -6.386 12.903 -10.824 1.00 0.00 C ATOM 1656 O ILE A 101 -6.628 14.110 -10.842 1.00 0.00 O ATOM 1657 CB ILE A 101 -7.226 11.384 -8.989 1.00 0.00 C ATOM 1658 CG1 ILE A 101 -7.083 12.545 -8.005 1.00 0.00 C ATOM 1659 CG2 ILE A 101 -6.003 10.495 -8.943 1.00 0.00 C ATOM 1660 CD1 ILE A 101 -6.953 12.097 -6.567 1.00 0.00 C ATOM 0 H ILE A 101 -6.721 10.224 -11.437 1.00 0.00 H new ATOM 0 HA ILE A 101 -8.433 12.413 -10.431 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.093 10.793 -8.692 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.207 13.135 -8.275 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.950 13.200 -8.098 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.848 10.142 -7.924 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.149 9.641 -9.605 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.130 11.061 -9.268 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.855 12.970 -5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -7.840 11.531 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.070 11.466 -6.461 1.00 0.00 H new ATOM 1672 N CYS A 102 -5.194 12.401 -11.159 1.00 0.00 N ATOM 1673 CA CYS A 102 -4.090 13.271 -11.572 1.00 0.00 C ATOM 1674 C CYS A 102 -4.205 13.648 -13.051 1.00 0.00 C ATOM 1675 O CYS A 102 -3.281 14.227 -13.625 1.00 0.00 O ATOM 1676 CB CYS A 102 -2.735 12.601 -11.315 1.00 0.00 C ATOM 1677 SG CYS A 102 -1.320 13.721 -11.457 1.00 0.00 S ATOM 0 H CYS A 102 -4.970 11.406 -11.153 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.154 14.180 -10.973 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.741 12.165 -10.316 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -2.608 11.780 -12.021 1.00 0.00 H new ATOM 0 HG CYS A 102 -1.545 14.587 -12.400 1.00 0.00 H new ATOM 1682 N HIS A 103 -5.345 13.322 -13.663 1.00 0.00 N ATOM 1683 CA HIS A 103 -5.588 13.631 -15.069 1.00 0.00 C ATOM 1684 C HIS A 103 -4.676 12.819 -15.987 1.00 0.00 C ATOM 1685 O HIS A 103 -4.102 13.349 -16.939 1.00 0.00 O ATOM 1686 CB HIS A 103 -5.401 15.128 -15.324 1.00 0.00 C ATOM 1687 CG HIS A 103 -6.601 15.945 -14.963 1.00 0.00 C ATOM 1688 ND1 HIS A 103 -7.675 16.121 -15.809 1.00 0.00 N ATOM 1689 CD2 HIS A 103 -6.898 16.635 -13.836 1.00 0.00 C ATOM 1690 CE1 HIS A 103 -8.580 16.881 -15.222 1.00 0.00 C ATOM 1691 NE2 HIS A 103 -8.134 17.207 -14.023 1.00 0.00 N ATOM 0 H HIS A 103 -6.117 12.841 -13.202 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.618 13.357 -15.296 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -4.544 15.482 -14.752 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.168 15.284 -16.377 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -6.279 16.720 -12.955 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.524 17.184 -15.649 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.627 17.789 -13.345 1.00 0.00 H new ATOM 1699 N GLU A 104 -4.556 11.527 -15.697 1.00 0.00 N ATOM 1700 CA GLU A 104 -3.727 10.628 -16.497 1.00 0.00 C ATOM 1701 C GLU A 104 -2.327 11.197 -16.715 1.00 0.00 C ATOM 1702 O GLU A 104 -1.970 11.587 -17.828 1.00 0.00 O ATOM 1703 CB GLU A 104 -4.392 10.354 -17.847 1.00 0.00 C ATOM 1704 CG GLU A 104 -4.057 8.987 -18.420 1.00 0.00 C ATOM 1705 CD GLU A 104 -3.693 9.043 -19.891 1.00 0.00 C ATOM 1706 OE1 GLU A 104 -2.548 9.433 -20.205 1.00 0.00 O ATOM 1707 OE2 GLU A 104 -4.551 8.696 -20.729 1.00 0.00 O ATOM 0 H GLU A 104 -5.024 11.077 -14.911 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.629 9.693 -15.945 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.473 10.437 -17.734 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.085 11.122 -18.557 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.227 8.556 -17.860 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.910 8.322 -18.286 1.00 0.00 H new ATOM 1714 N CYS A 105 -1.533 11.229 -15.651 1.00 0.00 N ATOM 1715 CA CYS A 105 -0.168 11.736 -15.727 1.00 0.00 C ATOM 1716 C CYS A 105 0.772 10.707 -16.359 1.00 0.00 C ATOM 1717 O CYS A 105 1.917 10.557 -15.932 1.00 0.00 O ATOM 1718 CB CYS A 105 0.329 12.107 -14.328 1.00 0.00 C ATOM 1719 SG CYS A 105 1.256 13.657 -14.262 1.00 0.00 S ATOM 0 H CYS A 105 -1.812 10.909 -14.723 1.00 0.00 H new ATOM 0 HA CYS A 105 -0.171 12.624 -16.359 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.527 12.179 -13.657 1.00 0.00 H new ATOM 0 HB3 CYS A 105 0.961 11.302 -13.953 1.00 0.00 H new ATOM 0 HG CYS A 105 0.433 14.648 -14.090 1.00 0.00 H new ATOM 1724 N ASN A 106 0.288 10.010 -17.384 1.00 0.00 N ATOM 1725 CA ASN A 106 1.089 9.010 -18.080 1.00 0.00 C ATOM 1726 C ASN A 106 2.142 9.668 -18.967 1.00 0.00 C ATOM 1727 O ASN A 106 3.341 9.580 -18.706 1.00 0.00 O ATOM 1728 CB ASN A 106 0.189 8.101 -18.919 1.00 0.00 C ATOM 1729 CG ASN A 106 0.887 6.825 -19.339 1.00 0.00 C ATOM 1730 OD1 ASN A 106 1.848 6.392 -18.704 1.00 0.00 O ATOM 1731 ND2 ASN A 106 0.405 6.213 -20.416 1.00 0.00 N ATOM 0 H ASN A 106 -0.657 10.121 -17.751 1.00 0.00 H new ATOM 0 HA ASN A 106 1.603 8.409 -17.330 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -0.705 7.852 -18.347 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -0.141 8.640 -19.807 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.834 5.349 -20.746 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.394 6.608 -20.912 1.00 0.00 H new ATOM 1738 N ARG A 107 1.673 10.322 -20.028 1.00 0.00 N ATOM 1739 CA ARG A 107 2.556 10.995 -20.974 1.00 0.00 C ATOM 1740 C ARG A 107 3.097 12.295 -20.388 1.00 0.00 C ATOM 1741 O ARG A 107 2.360 13.044 -19.748 1.00 0.00 O ATOM 1742 CB ARG A 107 1.803 11.290 -22.273 1.00 0.00 C ATOM 1743 CG ARG A 107 1.603 10.068 -23.153 1.00 0.00 C ATOM 1744 CD ARG A 107 2.660 9.994 -24.242 1.00 0.00 C ATOM 1745 NE ARG A 107 2.594 11.142 -25.145 1.00 0.00 N ATOM 1746 CZ ARG A 107 3.660 11.816 -25.579 1.00 0.00 C ATOM 1747 NH1 ARG A 107 4.884 11.459 -25.207 1.00 0.00 N ATOM 1748 NH2 ARG A 107 3.500 12.850 -26.392 1.00 0.00 N ATOM 0 H ARG A 107 0.681 10.399 -20.253 1.00 0.00 H new ATOM 0 HA ARG A 107 3.397 10.334 -21.182 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.829 11.715 -22.030 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.350 12.047 -22.836 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.643 9.166 -22.542 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.612 10.102 -23.606 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.649 9.948 -23.786 1.00 0.00 H new ATOM 0 HD3 ARG A 107 2.529 9.075 -24.813 1.00 0.00 H new ATOM 0 HE ARG A 107 1.674 11.447 -25.463 1.00 0.00 H new ATOM 0 HH11 ARG A 107 5.016 10.662 -24.584 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.692 11.981 -25.545 1.00 0.00 H new ATOM 0 HH21 ARG A 107 2.563 13.129 -26.684 1.00 0.00 H new ATOM 0 HH22 ARG A 107 4.313 13.367 -26.725 1.00 0.00 H new ATOM 1762 N PRO A 108 4.398 12.584 -20.599 1.00 0.00 N ATOM 1763 CA PRO A 108 5.029 13.806 -20.087 1.00 0.00 C ATOM 1764 C PRO A 108 4.334 15.074 -20.579 1.00 0.00 C ATOM 1765 O PRO A 108 4.872 15.810 -21.407 1.00 0.00 O ATOM 1766 CB PRO A 108 6.459 13.734 -20.635 1.00 0.00 C ATOM 1767 CG PRO A 108 6.686 12.292 -20.925 1.00 0.00 C ATOM 1768 CD PRO A 108 5.353 11.744 -21.346 1.00 0.00 C ATOM 0 HA PRO A 108 4.979 13.858 -18.999 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.568 14.340 -21.535 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.180 14.109 -19.909 1.00 0.00 H new ATOM 0 HG2 PRO A 108 7.428 12.164 -21.713 1.00 0.00 H new ATOM 0 HG3 PRO A 108 7.063 11.771 -20.045 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.205 11.825 -22.423 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.250 10.690 -21.089 1.00 0.00 H new ATOM 1776 N ASP A 109 3.140 15.325 -20.055 1.00 0.00 N ATOM 1777 CA ASP A 109 2.367 16.506 -20.423 1.00 0.00 C ATOM 1778 C ASP A 109 2.573 17.621 -19.402 1.00 0.00 C ATOM 1779 O ASP A 109 2.211 18.773 -19.639 1.00 0.00 O ATOM 1780 CB ASP A 109 0.874 16.168 -20.504 1.00 0.00 C ATOM 1781 CG ASP A 109 0.606 14.813 -21.131 1.00 0.00 C ATOM 1782 OD1 ASP A 109 1.104 14.567 -22.249 1.00 0.00 O ATOM 1783 OD2 ASP A 109 -0.105 14.000 -20.504 1.00 0.00 O ATOM 0 H ASP A 109 2.684 14.723 -19.370 1.00 0.00 H new ATOM 0 HA ASP A 109 2.714 16.843 -21.400 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.448 16.189 -19.501 1.00 0.00 H new ATOM 0 HB3 ASP A 109 0.364 16.938 -21.083 1.00 0.00 H new ATOM 1788 N THR A 110 3.143 17.259 -18.257 1.00 0.00 N ATOM 1789 CA THR A 110 3.386 18.207 -17.181 1.00 0.00 C ATOM 1790 C THR A 110 4.792 18.050 -16.622 1.00 0.00 C ATOM 1791 O THR A 110 5.533 17.152 -17.022 1.00 0.00 O ATOM 1792 CB THR A 110 2.363 17.994 -16.073 1.00 0.00 C ATOM 1793 OG1 THR A 110 2.574 16.750 -15.428 1.00 0.00 O ATOM 1794 CG2 THR A 110 0.939 18.012 -16.574 1.00 0.00 C ATOM 0 H THR A 110 3.447 16.307 -18.052 1.00 0.00 H new ATOM 0 HA THR A 110 3.290 19.216 -17.582 1.00 0.00 H new ATOM 0 HB THR A 110 2.503 18.825 -15.382 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.908 16.632 -14.719 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.257 17.855 -15.738 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.729 18.976 -17.038 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.802 17.218 -17.308 1.00 0.00 H new ATOM 1802 N ARG A 111 5.155 18.922 -15.689 1.00 0.00 N ATOM 1803 CA ARG A 111 6.473 18.866 -15.075 1.00 0.00 C ATOM 1804 C ARG A 111 6.448 17.965 -13.849 1.00 0.00 C ATOM 1805 O ARG A 111 6.049 18.385 -12.762 1.00 0.00 O ATOM 1806 CB ARG A 111 6.936 20.269 -14.677 1.00 0.00 C ATOM 1807 CG ARG A 111 7.045 21.232 -15.848 1.00 0.00 C ATOM 1808 CD ARG A 111 8.437 21.212 -16.456 1.00 0.00 C ATOM 1809 NE ARG A 111 8.776 19.899 -17.004 1.00 0.00 N ATOM 1810 CZ ARG A 111 9.518 18.992 -16.368 1.00 0.00 C ATOM 1811 NH1 ARG A 111 10.004 19.244 -15.159 1.00 0.00 N ATOM 1812 NH2 ARG A 111 9.771 17.825 -16.945 1.00 0.00 N ATOM 0 H ARG A 111 4.557 19.673 -15.343 1.00 0.00 H new ATOM 0 HA ARG A 111 7.173 18.455 -15.803 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.239 20.678 -13.945 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.907 20.196 -14.187 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.311 20.967 -16.608 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.807 22.242 -15.514 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.499 21.961 -17.245 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.169 21.488 -15.696 1.00 0.00 H new ATOM 0 HE ARG A 111 8.423 19.662 -17.931 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.811 20.138 -14.708 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.571 18.543 -14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.398 17.623 -17.873 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.338 17.129 -16.461 1.00 0.00 H new ATOM 1826 N ILE A 112 6.881 16.723 -14.033 1.00 0.00 N ATOM 1827 CA ILE A 112 6.914 15.757 -12.947 1.00 0.00 C ATOM 1828 C ILE A 112 8.207 15.892 -12.152 1.00 0.00 C ATOM 1829 O ILE A 112 9.301 15.824 -12.712 1.00 0.00 O ATOM 1830 CB ILE A 112 6.779 14.315 -13.476 1.00 0.00 C ATOM 1831 CG1 ILE A 112 5.479 14.162 -14.271 1.00 0.00 C ATOM 1832 CG2 ILE A 112 6.826 13.315 -12.328 1.00 0.00 C ATOM 1833 CD1 ILE A 112 5.676 13.574 -15.652 1.00 0.00 C ATOM 0 H ILE A 112 7.214 16.363 -14.927 1.00 0.00 H new ATOM 0 HA ILE A 112 6.066 15.966 -12.294 1.00 0.00 H new ATOM 0 HB ILE A 112 7.619 14.109 -14.140 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.793 13.527 -13.710 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.004 15.139 -14.366 1.00 0.00 H new ATOM 0 HG21 ILE A 112 6.729 12.303 -12.722 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.776 13.410 -11.802 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.007 13.515 -11.637 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.712 13.496 -16.155 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.336 14.219 -16.231 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.122 12.583 -15.565 1.00 0.00 H new ATOM 1845 N ILE A 113 8.073 16.089 -10.846 1.00 0.00 N ATOM 1846 CA ILE A 113 9.228 16.245 -9.972 1.00 0.00 C ATOM 1847 C ILE A 113 9.014 15.502 -8.662 1.00 0.00 C ATOM 1848 O ILE A 113 7.977 15.656 -8.021 1.00 0.00 O ATOM 1849 CB ILE A 113 9.501 17.732 -9.656 1.00 0.00 C ATOM 1850 CG1 ILE A 113 8.341 18.329 -8.849 1.00 0.00 C ATOM 1851 CG2 ILE A 113 9.723 18.520 -10.940 1.00 0.00 C ATOM 1852 CD1 ILE A 113 8.507 19.801 -8.538 1.00 0.00 C ATOM 0 H ILE A 113 7.173 16.145 -10.368 1.00 0.00 H new ATOM 0 HA ILE A 113 10.086 15.829 -10.500 1.00 0.00 H new ATOM 0 HB ILE A 113 10.408 17.797 -9.055 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.414 18.187 -9.404 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.240 17.779 -7.914 1.00 0.00 H new ATOM 0 HG21 ILE A 113 9.914 19.565 -10.697 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.579 18.110 -11.475 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.835 18.450 -11.568 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.648 20.151 -7.966 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.416 19.950 -7.955 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.577 20.364 -9.469 1.00 0.00 H new ATOM 1864 N ARG A 114 9.996 14.697 -8.266 1.00 0.00 N ATOM 1865 CA ARG A 114 9.897 13.942 -7.025 1.00 0.00 C ATOM 1866 C ARG A 114 11.204 13.980 -6.246 1.00 0.00 C ATOM 1867 O ARG A 114 12.285 13.803 -6.808 1.00 0.00 O ATOM 1868 CB ARG A 114 9.497 12.493 -7.302 1.00 0.00 C ATOM 1869 CG ARG A 114 10.480 11.743 -8.186 1.00 0.00 C ATOM 1870 CD ARG A 114 10.115 11.869 -9.656 1.00 0.00 C ATOM 1871 NE ARG A 114 11.229 12.375 -10.454 1.00 0.00 N ATOM 1872 CZ ARG A 114 11.295 12.282 -11.780 1.00 0.00 C ATOM 1873 NH1 ARG A 114 10.310 11.709 -12.462 1.00 0.00 N ATOM 1874 NH2 ARG A 114 12.346 12.764 -12.427 1.00 0.00 N ATOM 0 H ARG A 114 10.863 14.553 -8.784 1.00 0.00 H new ATOM 0 HA ARG A 114 9.123 14.412 -6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.400 11.965 -6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 114 8.515 12.481 -7.775 1.00 0.00 H new ATOM 0 HG2 ARG A 114 11.486 12.132 -8.025 1.00 0.00 H new ATOM 0 HG3 ARG A 114 10.496 10.691 -7.903 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.808 10.896 -10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 114 9.260 12.537 -9.762 1.00 0.00 H new ATOM 0 HE ARG A 114 12.002 12.827 -9.966 1.00 0.00 H new ATOM 0 HH11 ARG A 114 9.498 11.337 -11.970 1.00 0.00 H new ATOM 0 HH12 ARG A 114 10.366 11.640 -13.478 1.00 0.00 H new ATOM 0 HH21 ARG A 114 13.105 13.207 -11.909 1.00 0.00 H new ATOM 0 HH22 ARG A 114 12.396 12.692 -13.443 1.00 0.00 H new ATOM 1888 N GLU A 115 11.094 14.218 -4.944 1.00 0.00 N ATOM 1889 CA GLU A 115 12.258 14.289 -4.074 1.00 0.00 C ATOM 1890 C GLU A 115 12.056 13.433 -2.824 1.00 0.00 C ATOM 1891 O GLU A 115 10.937 13.301 -2.326 1.00 0.00 O ATOM 1892 CB GLU A 115 12.517 15.743 -3.677 1.00 0.00 C ATOM 1893 CG GLU A 115 11.335 16.395 -2.976 1.00 0.00 C ATOM 1894 CD GLU A 115 11.755 17.362 -1.888 1.00 0.00 C ATOM 1895 OE1 GLU A 115 12.839 17.968 -2.017 1.00 0.00 O ATOM 1896 OE2 GLU A 115 10.998 17.516 -0.906 1.00 0.00 O ATOM 0 H GLU A 115 10.204 14.366 -4.467 1.00 0.00 H new ATOM 0 HA GLU A 115 13.121 13.902 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 115 13.387 15.784 -3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.763 16.318 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.730 16.924 -3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.704 15.620 -2.542 1.00 0.00 H new ATOM 1903 N GLY A 116 13.148 12.860 -2.321 1.00 0.00 N ATOM 1904 CA GLY A 116 13.076 12.031 -1.130 1.00 0.00 C ATOM 1905 C GLY A 116 12.532 10.642 -1.402 1.00 0.00 C ATOM 1906 O GLY A 116 11.455 10.290 -0.922 1.00 0.00 O ATOM 0 H GLY A 116 14.082 12.956 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 116 14.071 11.946 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 116 12.445 12.523 -0.390 1.00 0.00 H new ATOM 1910 N ARG A 117 13.286 9.846 -2.164 1.00 0.00 N ATOM 1911 CA ARG A 117 12.888 8.475 -2.495 1.00 0.00 C ATOM 1912 C ARG A 117 11.369 8.360 -2.681 1.00 0.00 C ATOM 1913 O ARG A 117 10.667 7.813 -1.830 1.00 0.00 O ATOM 1914 CB ARG A 117 13.379 7.511 -1.403 1.00 0.00 C ATOM 1915 CG ARG A 117 12.828 7.804 -0.011 1.00 0.00 C ATOM 1916 CD ARG A 117 13.767 8.684 0.806 1.00 0.00 C ATOM 1917 NE ARG A 117 15.148 8.205 0.777 1.00 0.00 N ATOM 1918 CZ ARG A 117 15.616 7.234 1.557 1.00 0.00 C ATOM 1919 NH1 ARG A 117 14.817 6.622 2.423 1.00 0.00 N ATOM 1920 NH2 ARG A 117 16.889 6.875 1.471 1.00 0.00 N ATOM 0 H ARG A 117 14.180 10.129 -2.565 1.00 0.00 H new ATOM 0 HA ARG A 117 13.352 8.203 -3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 117 13.104 6.494 -1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 117 14.468 7.548 -1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 117 11.859 8.295 -0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 117 12.661 6.865 0.517 1.00 0.00 H new ATOM 0 HD2 ARG A 117 13.731 9.703 0.422 1.00 0.00 H new ATOM 0 HD3 ARG A 117 13.420 8.720 1.839 1.00 0.00 H new ATOM 0 HE ARG A 117 15.792 8.642 0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 117 13.837 6.895 2.494 1.00 0.00 H new ATOM 0 HH12 ARG A 117 15.183 5.879 3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 117 17.507 7.343 0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 117 17.250 6.131 2.068 1.00 0.00 H new ATOM 1934 N ILE A 118 10.871 8.907 -3.795 1.00 0.00 N ATOM 1935 CA ILE A 118 9.438 8.906 -4.107 1.00 0.00 C ATOM 1936 C ILE A 118 8.599 9.220 -2.871 1.00 0.00 C ATOM 1937 O ILE A 118 7.851 8.377 -2.379 1.00 0.00 O ATOM 1938 CB ILE A 118 8.955 7.574 -4.736 1.00 0.00 C ATOM 1939 CG1 ILE A 118 7.503 7.725 -5.210 1.00 0.00 C ATOM 1940 CG2 ILE A 118 9.088 6.411 -3.757 1.00 0.00 C ATOM 1941 CD1 ILE A 118 6.946 6.503 -5.907 1.00 0.00 C ATOM 0 H ILE A 118 11.448 9.361 -4.503 1.00 0.00 H new ATOM 0 HA ILE A 118 9.298 9.692 -4.849 1.00 0.00 H new ATOM 0 HB ILE A 118 9.590 7.347 -5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 118 6.874 7.957 -4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 118 7.441 8.576 -5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.740 5.494 -4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.133 6.296 -3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.486 6.611 -2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.916 6.694 -6.209 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.548 6.281 -6.788 1.00 0.00 H new ATOM 0 HD13 ILE A 118 6.972 5.652 -5.226 1.00 0.00 H new ATOM 1953 N SER A 119 8.728 10.444 -2.375 1.00 0.00 N ATOM 1954 CA SER A 119 7.983 10.870 -1.197 1.00 0.00 C ATOM 1955 C SER A 119 7.175 12.136 -1.487 1.00 0.00 C ATOM 1956 O SER A 119 6.050 12.286 -1.009 1.00 0.00 O ATOM 1957 CB SER A 119 8.938 11.094 -0.021 1.00 0.00 C ATOM 1958 OG SER A 119 9.431 9.861 0.481 1.00 0.00 O ATOM 0 H SER A 119 9.340 11.158 -2.769 1.00 0.00 H new ATOM 0 HA SER A 119 7.280 10.080 -0.931 1.00 0.00 H new ATOM 0 HB2 SER A 119 9.772 11.719 -0.340 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.421 11.633 0.773 1.00 0.00 H new ATOM 0 HG SER A 119 10.404 9.828 0.369 1.00 0.00 H new ATOM 1964 N LEU A 120 7.747 13.033 -2.288 1.00 0.00 N ATOM 1965 CA LEU A 120 7.070 14.275 -2.660 1.00 0.00 C ATOM 1966 C LEU A 120 7.025 14.417 -4.186 1.00 0.00 C ATOM 1967 O LEU A 120 7.956 14.008 -4.875 1.00 0.00 O ATOM 1968 CB LEU A 120 7.784 15.490 -2.052 1.00 0.00 C ATOM 1969 CG LEU A 120 7.966 15.488 -0.526 1.00 0.00 C ATOM 1970 CD1 LEU A 120 6.655 15.192 0.186 1.00 0.00 C ATOM 1971 CD2 LEU A 120 9.038 14.493 -0.105 1.00 0.00 C ATOM 0 H LEU A 120 8.677 12.924 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 120 6.053 14.235 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.769 15.572 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.227 16.386 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 120 8.291 16.486 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.817 15.198 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.920 15.953 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.288 14.213 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.146 14.512 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.750 13.491 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.987 14.762 -0.569 1.00 0.00 H new ATOM 1983 N LEU A 121 5.941 14.996 -4.712 1.00 0.00 N ATOM 1984 CA LEU A 121 5.791 15.187 -6.163 1.00 0.00 C ATOM 1985 C LEU A 121 4.890 16.388 -6.459 1.00 0.00 C ATOM 1986 O LEU A 121 3.927 16.627 -5.737 1.00 0.00 O ATOM 1987 CB LEU A 121 5.190 13.939 -6.833 1.00 0.00 C ATOM 1988 CG LEU A 121 5.448 12.601 -6.129 1.00 0.00 C ATOM 1989 CD1 LEU A 121 4.160 12.056 -5.529 1.00 0.00 C ATOM 1990 CD2 LEU A 121 6.051 11.595 -7.099 1.00 0.00 C ATOM 0 H LEU A 121 5.156 15.340 -4.159 1.00 0.00 H new ATOM 0 HA LEU A 121 6.787 15.364 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 121 4.112 14.080 -6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.582 13.873 -7.848 1.00 0.00 H new ATOM 0 HG LEU A 121 6.160 12.770 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 121 4.363 11.106 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 121 3.767 12.768 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.426 11.903 -6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.227 10.652 -6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.363 11.431 -7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 121 6.996 11.981 -7.483 1.00 0.00 H new ATOM 2002 N LYS A 122 5.203 17.152 -7.514 1.00 0.00 N ATOM 2003 CA LYS A 122 4.390 18.323 -7.865 1.00 0.00 C ATOM 2004 C LYS A 122 3.831 18.233 -9.288 1.00 0.00 C ATOM 2005 O LYS A 122 4.472 17.690 -10.189 1.00 0.00 O ATOM 2006 CB LYS A 122 5.195 19.611 -7.705 1.00 0.00 C ATOM 2007 CG LYS A 122 4.513 20.621 -6.799 1.00 0.00 C ATOM 2008 CD LYS A 122 4.856 22.044 -7.197 1.00 0.00 C ATOM 2009 CE LYS A 122 6.305 22.378 -6.887 1.00 0.00 C ATOM 2010 NZ LYS A 122 6.932 23.176 -7.973 1.00 0.00 N ATOM 0 H LYS A 122 5.999 16.985 -8.129 1.00 0.00 H new ATOM 0 HA LYS A 122 3.546 18.338 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 122 6.178 19.372 -7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.355 20.059 -8.686 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.433 20.480 -6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.815 20.448 -5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.671 22.179 -8.263 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.201 22.738 -6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.358 22.934 -5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 122 6.868 21.456 -6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 7.920 23.384 -7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.905 22.636 -8.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.410 24.068 -8.094 1.00 0.00 H new ATOM 2024 N CYS A 123 2.613 18.750 -9.468 1.00 0.00 N ATOM 2025 CA CYS A 123 1.938 18.713 -10.760 1.00 0.00 C ATOM 2026 C CYS A 123 1.167 20.010 -11.023 1.00 0.00 C ATOM 2027 O CYS A 123 0.024 19.983 -11.482 1.00 0.00 O ATOM 2028 CB CYS A 123 0.974 17.527 -10.783 1.00 0.00 C ATOM 2029 SG CYS A 123 1.723 15.973 -11.322 1.00 0.00 S ATOM 0 H CYS A 123 2.075 19.201 -8.728 1.00 0.00 H new ATOM 0 HA CYS A 123 2.689 18.605 -11.543 1.00 0.00 H new ATOM 0 HB2 CYS A 123 0.560 17.390 -9.784 1.00 0.00 H new ATOM 0 HB3 CYS A 123 0.140 17.764 -11.444 1.00 0.00 H new ATOM 0 HG CYS A 123 0.803 15.060 -11.424 1.00 0.00 H new ATOM 2034 N GLU A 124 1.794 21.142 -10.719 1.00 0.00 N ATOM 2035 CA GLU A 124 1.163 22.449 -10.910 1.00 0.00 C ATOM 2036 C GLU A 124 0.498 22.561 -12.282 1.00 0.00 C ATOM 2037 O GLU A 124 -0.473 23.299 -12.449 1.00 0.00 O ATOM 2038 CB GLU A 124 2.192 23.569 -10.732 1.00 0.00 C ATOM 2039 CG GLU A 124 2.636 23.762 -9.291 1.00 0.00 C ATOM 2040 CD GLU A 124 1.475 23.968 -8.339 1.00 0.00 C ATOM 2041 OE1 GLU A 124 0.397 24.397 -8.800 1.00 0.00 O ATOM 2042 OE2 GLU A 124 1.644 23.700 -7.130 1.00 0.00 O ATOM 0 H GLU A 124 2.740 21.183 -10.339 1.00 0.00 H new ATOM 0 HA GLU A 124 0.386 22.552 -10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.065 23.350 -11.347 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.768 24.503 -11.101 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.210 22.891 -8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.303 24.622 -9.234 1.00 0.00 H new ATOM 2049 N ALA A 125 1.024 21.828 -13.262 1.00 0.00 N ATOM 2050 CA ALA A 125 0.474 21.854 -14.615 1.00 0.00 C ATOM 2051 C ALA A 125 -0.893 21.172 -14.676 1.00 0.00 C ATOM 2052 O ALA A 125 -1.914 21.841 -14.835 1.00 0.00 O ATOM 2053 CB ALA A 125 1.442 21.210 -15.594 1.00 0.00 C ATOM 0 H ALA A 125 1.828 21.211 -13.145 1.00 0.00 H new ATOM 0 HA ALA A 125 0.334 22.897 -14.900 1.00 0.00 H new ATOM 0 HB1 ALA A 125 1.017 21.238 -16.597 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.386 21.755 -15.585 1.00 0.00 H new ATOM 0 HB3 ALA A 125 1.619 20.174 -15.303 1.00 0.00 H new ATOM 2059 N CYS A 126 -0.920 19.845 -14.542 1.00 0.00 N ATOM 2060 CA CYS A 126 -2.188 19.110 -14.576 1.00 0.00 C ATOM 2061 C CYS A 126 -2.891 19.178 -13.224 1.00 0.00 C ATOM 2062 O CYS A 126 -3.367 18.167 -12.705 1.00 0.00 O ATOM 2063 CB CYS A 126 -1.981 17.648 -14.981 1.00 0.00 C ATOM 2064 SG CYS A 126 -0.994 16.677 -13.818 1.00 0.00 S ATOM 0 H CYS A 126 -0.093 19.263 -14.411 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.817 19.587 -15.328 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -2.956 17.174 -15.093 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -1.499 17.620 -15.958 1.00 0.00 H new ATOM 0 HG CYS A 126 -1.497 16.788 -12.624 1.00 0.00 H new ATOM 2069 N GLY A 127 -2.953 20.376 -12.658 1.00 0.00 N ATOM 2070 CA GLY A 127 -3.594 20.559 -11.375 1.00 0.00 C ATOM 2071 C GLY A 127 -2.620 21.017 -10.311 1.00 0.00 C ATOM 2072 O GLY A 127 -1.993 22.067 -10.445 1.00 0.00 O ATOM 0 H GLY A 127 -2.568 21.227 -13.069 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -4.395 21.292 -11.472 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -4.055 19.622 -11.064 1.00 0.00 H new ATOM 2076 N ALA A 128 -2.496 20.232 -9.250 1.00 0.00 N ATOM 2077 CA ALA A 128 -1.591 20.567 -8.162 1.00 0.00 C ATOM 2078 C ALA A 128 -1.126 19.322 -7.418 1.00 0.00 C ATOM 2079 O ALA A 128 -1.812 18.300 -7.405 1.00 0.00 O ATOM 2080 CB ALA A 128 -2.238 21.557 -7.206 1.00 0.00 C ATOM 0 H ALA A 128 -3.010 19.361 -9.120 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.711 21.038 -8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.542 21.793 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -2.492 22.470 -7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.144 21.119 -6.787 1.00 0.00 H new ATOM 2086 N LYS A 129 0.041 19.417 -6.798 1.00 0.00 N ATOM 2087 CA LYS A 129 0.606 18.307 -6.042 1.00 0.00 C ATOM 2088 C LYS A 129 1.519 18.833 -4.941 1.00 0.00 C ATOM 2089 O LYS A 129 2.050 19.936 -5.046 1.00 0.00 O ATOM 2090 CB LYS A 129 1.372 17.357 -6.962 1.00 0.00 C ATOM 2091 CG LYS A 129 0.547 16.180 -7.449 1.00 0.00 C ATOM 2092 CD LYS A 129 1.423 14.976 -7.753 1.00 0.00 C ATOM 2093 CE LYS A 129 1.232 13.879 -6.718 1.00 0.00 C ATOM 2094 NZ LYS A 129 0.520 12.701 -7.285 1.00 0.00 N ATOM 0 H LYS A 129 0.619 20.257 -6.804 1.00 0.00 H new ATOM 0 HA LYS A 129 -0.212 17.750 -5.585 1.00 0.00 H new ATOM 0 HB2 LYS A 129 1.736 17.916 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 129 2.248 16.981 -6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -0.191 15.913 -6.692 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -0.004 16.466 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 129 1.183 14.590 -8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 129 2.469 15.281 -7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 129 2.204 13.567 -6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 129 0.668 14.272 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 0.409 11.975 -6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -0.418 12.994 -7.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 1.070 12.310 -8.076 1.00 0.00 H new ATOM 2108 N ALA A 130 1.678 18.051 -3.878 1.00 0.00 N ATOM 2109 CA ALA A 130 2.512 18.456 -2.750 1.00 0.00 C ATOM 2110 C ALA A 130 3.995 18.209 -3.022 1.00 0.00 C ATOM 2111 O ALA A 130 4.459 17.070 -2.973 1.00 0.00 O ATOM 2112 CB ALA A 130 2.085 17.712 -1.494 1.00 0.00 C ATOM 0 H ALA A 130 1.242 17.135 -3.773 1.00 0.00 H new ATOM 0 HA ALA A 130 2.375 19.528 -2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.712 18.020 -0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 130 1.043 17.943 -1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 130 2.193 16.639 -1.652 1.00 0.00 H new ATOM 2118 N PRO A 131 4.767 19.277 -3.302 1.00 0.00 N ATOM 2119 CA PRO A 131 6.201 19.157 -3.566 1.00 0.00 C ATOM 2120 C PRO A 131 6.999 18.914 -2.295 1.00 0.00 C ATOM 2121 O PRO A 131 8.054 18.281 -2.322 1.00 0.00 O ATOM 2122 CB PRO A 131 6.574 20.514 -4.156 1.00 0.00 C ATOM 2123 CG PRO A 131 5.576 21.466 -3.588 1.00 0.00 C ATOM 2124 CD PRO A 131 4.308 20.680 -3.375 1.00 0.00 C ATOM 0 HA PRO A 131 6.420 18.314 -4.221 1.00 0.00 H new ATOM 0 HB2 PRO A 131 7.590 20.798 -3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 131 6.529 20.497 -5.245 1.00 0.00 H new ATOM 0 HG2 PRO A 131 5.933 21.888 -2.649 1.00 0.00 H new ATOM 0 HG3 PRO A 131 5.405 22.301 -4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 131 3.800 20.982 -2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.604 20.828 -4.194 1.00 0.00 H new