USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 843 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 51 ASN :FLIP amide:sc= -4.18! C(o=-14!,f=-12!) USER MOD Set 1.2: A 85 HIS :FLIP no HE2:sc= -8.31! C(o=-14!,f=-12!) USER MOD Set 2.1: A 50 GLN : amide:sc= -2.38! C(o=-5.2!,f=-5.5!) USER MOD Set 2.2: A 82 GLN : amide:sc= -2.8! C(o=-5.2!,f=-8.5!) USER MOD Set 3.1: A 77 HIS :FLIP no HD1:sc= -0.426 F(o=-1.4,f=-0.75) USER MOD Set 3.2: A 140 GLN : amide:sc= -0.327 K(o=-0.75,f=-3.7!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -3.58! C(o=-3.6!,f=-3.3!) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -6.21! C(o=-6.2!,f=-6.8!) USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= 0.895 (180deg=0.886) USER MOD Single : A 46 MET CE :methyl 142:sc= -0.4 (180deg=-1.25) USER MOD Single : A 48 ASN : amide:sc= -2.5 K(o=-2.5,f=-8.1!) USER MOD Single : A 59 CYS SG : rot -24:sc= 0.028 USER MOD Single : A 61 ASN : amide:sc= -0.796 K(o=-0.8,f=-2!) USER MOD Single : A 66 SER OG : rot 178:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.044 K(o=-0.044,f=-1.5!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= -0.025 (180deg=-0.025) USER MOD Single : A 72 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.8!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.561 X(o=-0.56,f=-1) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0862 USER MOD Single : A 95 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.68) USER MOD Single : A 97 TYR OH : rot -94:sc= -0.517 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.09 USER MOD Single : A 114 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.9!) USER MOD Single : A 115 LYS NZ :NH3+ -141:sc= 0.24 (180deg=-0.09) USER MOD Single : A 120 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.21) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.57) USER MOD Single : A 132 THR OG1 : rot -73:sc= 0.718 USER MOD Single : A 138 HIS :FLIP no HE2:sc= 0.41 F(o=-2,f=0.41) USER MOD ----------------------------------------------------------------- ATOM 445 N PHE A 31 1.185 11.913 -4.825 1.00 0.00 N ATOM 446 CA PHE A 31 1.333 11.774 -3.380 1.00 0.00 C ATOM 447 C PHE A 31 -0.024 11.838 -2.686 1.00 0.00 C ATOM 448 O PHE A 31 -0.316 11.036 -1.799 1.00 0.00 O ATOM 449 CB PHE A 31 2.252 12.868 -2.833 1.00 0.00 C ATOM 450 CG PHE A 31 1.705 14.255 -3.014 1.00 0.00 C ATOM 451 CD1 PHE A 31 1.827 14.909 -4.230 1.00 0.00 C ATOM 452 CD2 PHE A 31 1.069 14.906 -1.969 1.00 0.00 C ATOM 453 CE1 PHE A 31 1.325 16.185 -4.400 1.00 0.00 C ATOM 454 CE2 PHE A 31 0.566 16.183 -2.133 1.00 0.00 C ATOM 455 CZ PHE A 31 0.693 16.823 -3.350 1.00 0.00 C ATOM 0 HA PHE A 31 1.779 10.800 -3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.425 12.690 -1.772 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.220 12.800 -3.329 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.320 14.415 -5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.965 14.410 -1.015 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.427 16.683 -5.353 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.074 16.680 -1.310 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.299 17.820 -3.481 1.00 0.00 H new ATOM 465 N GLU A 32 -0.847 12.798 -3.095 1.00 0.00 N ATOM 466 CA GLU A 32 -2.172 12.967 -2.511 1.00 0.00 C ATOM 467 C GLU A 32 -3.060 11.764 -2.817 1.00 0.00 C ATOM 468 O GLU A 32 -3.678 11.190 -1.920 1.00 0.00 O ATOM 469 CB GLU A 32 -2.827 14.245 -3.040 1.00 0.00 C ATOM 470 CG GLU A 32 -4.088 14.639 -2.288 1.00 0.00 C ATOM 471 CD GLU A 32 -4.832 15.780 -2.955 1.00 0.00 C ATOM 472 OE1 GLU A 32 -5.082 15.692 -4.175 1.00 0.00 O ATOM 473 OE2 GLU A 32 -5.164 16.760 -2.256 1.00 0.00 O ATOM 0 H GLU A 32 -0.620 13.470 -3.828 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.057 13.046 -1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.109 15.063 -2.981 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.070 14.109 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.747 13.774 -2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.825 14.927 -1.270 1.00 0.00 H new ATOM 480 N THR A 33 -3.118 11.387 -4.090 1.00 0.00 N ATOM 481 CA THR A 33 -3.930 10.254 -4.515 1.00 0.00 C ATOM 482 C THR A 33 -3.640 9.021 -3.668 1.00 0.00 C ATOM 483 O THR A 33 -4.552 8.414 -3.106 1.00 0.00 O ATOM 484 CB THR A 33 -3.686 9.913 -5.998 1.00 0.00 C ATOM 485 OG1 THR A 33 -3.979 11.051 -6.817 1.00 0.00 O ATOM 486 CG2 THR A 33 -4.546 8.735 -6.431 1.00 0.00 C ATOM 0 H THR A 33 -2.612 11.850 -4.845 1.00 0.00 H new ATOM 0 HA THR A 33 -4.972 10.545 -4.383 1.00 0.00 H new ATOM 0 HB THR A 33 -2.637 9.640 -6.118 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.820 10.827 -7.758 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.357 8.513 -7.481 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.300 7.863 -5.825 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.599 8.984 -6.297 1.00 0.00 H new ATOM 494 N ALA A 34 -2.366 8.656 -3.579 1.00 0.00 N ATOM 495 CA ALA A 34 -1.956 7.496 -2.797 1.00 0.00 C ATOM 496 C ALA A 34 -2.770 7.385 -1.512 1.00 0.00 C ATOM 497 O ALA A 34 -3.382 6.352 -1.240 1.00 0.00 O ATOM 498 CB ALA A 34 -0.470 7.572 -2.478 1.00 0.00 C ATOM 0 H ALA A 34 -1.599 9.147 -4.039 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.143 6.603 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.178 6.699 -1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.101 7.595 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.267 8.477 -1.905 1.00 0.00 H new ATOM 504 N LYS A 35 -2.773 8.455 -0.725 1.00 0.00 N ATOM 505 CA LYS A 35 -3.512 8.479 0.532 1.00 0.00 C ATOM 506 C LYS A 35 -5.016 8.476 0.279 1.00 0.00 C ATOM 507 O LYS A 35 -5.755 7.703 0.888 1.00 0.00 O ATOM 508 CB LYS A 35 -3.124 9.712 1.352 1.00 0.00 C ATOM 509 CG LYS A 35 -1.875 9.515 2.193 1.00 0.00 C ATOM 510 CD LYS A 35 -1.212 10.841 2.525 1.00 0.00 C ATOM 511 CE LYS A 35 -0.284 11.296 1.409 1.00 0.00 C ATOM 512 NZ LYS A 35 1.089 10.742 1.570 1.00 0.00 N ATOM 0 H LYS A 35 -2.272 9.318 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.254 7.581 1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.968 10.553 0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.954 9.979 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.135 8.996 3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.171 8.879 1.657 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.977 11.599 2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.647 10.744 3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.691 10.983 0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.237 12.385 1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.691 11.075 0.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.488 11.061 2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.048 9.703 1.556 1.00 0.00 H new ATOM 526 N GLU A 36 -5.461 9.343 -0.625 1.00 0.00 N ATOM 527 CA GLU A 36 -6.878 9.439 -0.958 1.00 0.00 C ATOM 528 C GLU A 36 -7.513 8.053 -1.035 1.00 0.00 C ATOM 529 O GLU A 36 -8.443 7.743 -0.290 1.00 0.00 O ATOM 530 CB GLU A 36 -7.063 10.172 -2.288 1.00 0.00 C ATOM 531 CG GLU A 36 -7.157 11.681 -2.143 1.00 0.00 C ATOM 532 CD GLU A 36 -7.852 12.338 -3.320 1.00 0.00 C ATOM 533 OE1 GLU A 36 -7.175 12.607 -4.335 1.00 0.00 O ATOM 534 OE2 GLU A 36 -9.073 12.583 -3.227 1.00 0.00 O ATOM 0 H GLU A 36 -4.862 9.988 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.374 10.004 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.228 9.930 -2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.968 9.805 -2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.697 11.921 -1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.154 12.096 -2.040 1.00 0.00 H new ATOM 541 N CYS A 37 -7.005 7.226 -1.942 1.00 0.00 N ATOM 542 CA CYS A 37 -7.522 5.874 -2.118 1.00 0.00 C ATOM 543 C CYS A 37 -7.793 5.215 -0.769 1.00 0.00 C ATOM 544 O CYS A 37 -8.933 4.884 -0.446 1.00 0.00 O ATOM 545 CB CYS A 37 -6.535 5.028 -2.924 1.00 0.00 C ATOM 546 SG CYS A 37 -6.736 5.165 -4.715 1.00 0.00 S ATOM 0 H CYS A 37 -6.236 7.468 -2.567 1.00 0.00 H new ATOM 0 HA CYS A 37 -8.463 5.940 -2.665 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.520 5.323 -2.660 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.649 3.983 -2.635 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.855 4.416 -5.309 1.00 0.00 H new ATOM 552 N GLY A 38 -6.735 5.025 0.014 1.00 0.00 N ATOM 553 CA GLY A 38 -6.879 4.405 1.318 1.00 0.00 C ATOM 554 C GLY A 38 -8.156 4.821 2.020 1.00 0.00 C ATOM 555 O GLY A 38 -8.824 3.998 2.645 1.00 0.00 O ATOM 0 H GLY A 38 -5.781 5.289 -0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.867 3.321 1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.024 4.670 1.939 1.00 0.00 H new ATOM 559 N GLN A 39 -8.495 6.102 1.918 1.00 0.00 N ATOM 560 CA GLN A 39 -9.700 6.626 2.551 1.00 0.00 C ATOM 561 C GLN A 39 -10.951 6.123 1.840 1.00 0.00 C ATOM 562 O GLN A 39 -11.887 5.639 2.477 1.00 0.00 O ATOM 563 CB GLN A 39 -9.678 8.156 2.550 1.00 0.00 C ATOM 564 CG GLN A 39 -9.046 8.756 3.795 1.00 0.00 C ATOM 565 CD GLN A 39 -8.679 10.216 3.617 1.00 0.00 C ATOM 566 OE1 GLN A 39 -9.195 11.088 4.317 1.00 0.00 O ATOM 567 NE2 GLN A 39 -7.784 10.491 2.676 1.00 0.00 N ATOM 0 H GLN A 39 -7.953 6.796 1.403 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.723 6.271 3.581 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.132 8.503 1.673 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.699 8.526 2.457 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.737 8.659 4.632 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.151 8.189 4.053 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.382 9.737 2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.499 11.456 2.510 1.00 0.00 H new ATOM 576 N MET A 40 -10.961 6.240 0.516 1.00 0.00 N ATOM 577 CA MET A 40 -12.098 5.796 -0.282 1.00 0.00 C ATOM 578 C MET A 40 -12.258 4.281 -0.204 1.00 0.00 C ATOM 579 O MET A 40 -13.287 3.779 0.248 1.00 0.00 O ATOM 580 CB MET A 40 -11.927 6.228 -1.739 1.00 0.00 C ATOM 581 CG MET A 40 -12.182 7.709 -1.967 1.00 0.00 C ATOM 582 SD MET A 40 -10.835 8.747 -1.367 1.00 0.00 S ATOM 583 CE MET A 40 -11.746 10.166 -0.762 1.00 0.00 C ATOM 0 H MET A 40 -10.195 6.638 -0.027 1.00 0.00 H new ATOM 0 HA MET A 40 -12.997 6.260 0.123 1.00 0.00 H new ATOM 0 HB2 MET A 40 -10.915 5.988 -2.064 1.00 0.00 H new ATOM 0 HB3 MET A 40 -12.608 5.650 -2.363 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.327 7.889 -3.032 1.00 0.00 H new ATOM 0 HG3 MET A 40 -13.107 7.996 -1.466 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.049 10.900 -0.358 1.00 0.00 H new ATOM 0 HE2 MET A 40 -12.309 10.613 -1.581 1.00 0.00 H new ATOM 0 HE3 MET A 40 -12.435 9.849 0.021 1.00 0.00 H new ATOM 593 N GLN A 41 -11.234 3.559 -0.648 1.00 0.00 N ATOM 594 CA GLN A 41 -11.263 2.101 -0.630 1.00 0.00 C ATOM 595 C GLN A 41 -11.137 1.572 0.795 1.00 0.00 C ATOM 596 O GLN A 41 -11.116 0.363 1.019 1.00 0.00 O ATOM 597 CB GLN A 41 -10.136 1.537 -1.497 1.00 0.00 C ATOM 598 CG GLN A 41 -10.052 2.173 -2.875 1.00 0.00 C ATOM 599 CD GLN A 41 -11.189 1.750 -3.784 1.00 0.00 C ATOM 600 OE1 GLN A 41 -12.228 2.408 -3.844 1.00 0.00 O ATOM 601 NE2 GLN A 41 -10.998 0.647 -4.497 1.00 0.00 N ATOM 0 H GLN A 41 -10.375 3.959 -1.024 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.221 1.776 -1.036 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.186 1.680 -0.982 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.279 0.462 -1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.060 3.258 -2.771 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.103 1.904 -3.338 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.121 0.133 -4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.728 0.314 -5.126 1.00 0.00 H new ATOM 610 N ASN A 42 -11.053 2.487 1.755 1.00 0.00 N ATOM 611 CA ASN A 42 -10.929 2.113 3.159 1.00 0.00 C ATOM 612 C ASN A 42 -9.785 1.123 3.359 1.00 0.00 C ATOM 613 O ASN A 42 -9.941 0.104 4.031 1.00 0.00 O ATOM 614 CB ASN A 42 -12.238 1.504 3.664 1.00 0.00 C ATOM 615 CG ASN A 42 -13.039 0.851 2.554 1.00 0.00 C ATOM 616 OD1 ASN A 42 -13.582 1.531 1.683 1.00 0.00 O ATOM 617 ND2 ASN A 42 -13.115 -0.474 2.580 1.00 0.00 N ATOM 0 H ASN A 42 -11.069 3.493 1.586 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.711 3.015 3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.018 0.764 4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.840 2.282 4.133 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -13.639 -0.969 1.859 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.649 -0.997 3.321 1.00 0.00 H new ATOM 624 N LYS A 43 -8.634 1.432 2.771 1.00 0.00 N ATOM 625 CA LYS A 43 -7.461 0.573 2.885 1.00 0.00 C ATOM 626 C LYS A 43 -6.279 1.340 3.469 1.00 0.00 C ATOM 627 O LYS A 43 -6.172 2.555 3.301 1.00 0.00 O ATOM 628 CB LYS A 43 -7.087 0.002 1.515 1.00 0.00 C ATOM 629 CG LYS A 43 -8.229 -0.724 0.826 1.00 0.00 C ATOM 630 CD LYS A 43 -7.719 -1.682 -0.238 1.00 0.00 C ATOM 631 CE LYS A 43 -7.659 -1.016 -1.604 1.00 0.00 C ATOM 632 NZ LYS A 43 -7.826 -2.000 -2.709 1.00 0.00 N ATOM 0 H LYS A 43 -8.488 2.272 2.210 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.706 -0.248 3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.744 0.814 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.250 -0.686 1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.810 -1.276 1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.901 0.003 0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.727 -2.039 0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.370 -2.555 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.439 -0.257 -1.673 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.704 -0.503 -1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.712 -1.518 -3.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.109 -2.748 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.775 -2.423 -2.657 1.00 0.00 H new ATOM 646 N TRP A 44 -5.394 0.623 4.152 1.00 0.00 N ATOM 647 CA TRP A 44 -4.219 1.237 4.759 1.00 0.00 C ATOM 648 C TRP A 44 -3.181 1.590 3.699 1.00 0.00 C ATOM 649 O TRP A 44 -3.315 1.213 2.534 1.00 0.00 O ATOM 650 CB TRP A 44 -3.606 0.297 5.798 1.00 0.00 C ATOM 651 CG TRP A 44 -4.554 -0.072 6.898 1.00 0.00 C ATOM 652 CD1 TRP A 44 -5.271 -1.229 7.010 1.00 0.00 C ATOM 653 CD2 TRP A 44 -4.889 0.722 8.042 1.00 0.00 C ATOM 654 NE1 TRP A 44 -6.032 -1.202 8.154 1.00 0.00 N ATOM 655 CE2 TRP A 44 -5.815 -0.017 8.805 1.00 0.00 C ATOM 656 CE3 TRP A 44 -4.497 1.984 8.496 1.00 0.00 C ATOM 657 CZ2 TRP A 44 -6.353 0.467 9.994 1.00 0.00 C ATOM 658 CZ3 TRP A 44 -5.031 2.462 9.677 1.00 0.00 C ATOM 659 CH2 TRP A 44 -5.951 1.705 10.416 1.00 0.00 C ATOM 0 H TRP A 44 -5.468 -0.384 4.299 1.00 0.00 H new ATOM 0 HA TRP A 44 -4.534 2.156 5.253 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.267 -0.612 5.300 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.725 0.771 6.231 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.244 -2.045 6.303 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.657 -1.944 8.467 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.789 2.575 7.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.063 -0.114 10.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.735 3.436 10.037 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.350 2.107 11.336 1.00 0.00 H new ATOM 670 N LEU A 45 -2.146 2.315 4.109 1.00 0.00 N ATOM 671 CA LEU A 45 -1.084 2.719 3.194 1.00 0.00 C ATOM 672 C LEU A 45 0.262 2.155 3.639 1.00 0.00 C ATOM 673 O LEU A 45 0.653 2.297 4.798 1.00 0.00 O ATOM 674 CB LEU A 45 -1.008 4.245 3.111 1.00 0.00 C ATOM 675 CG LEU A 45 0.247 4.819 2.454 1.00 0.00 C ATOM 676 CD1 LEU A 45 0.261 4.507 0.965 1.00 0.00 C ATOM 677 CD2 LEU A 45 0.331 6.321 2.687 1.00 0.00 C ATOM 0 H LEU A 45 -2.020 2.635 5.069 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.317 2.319 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.878 4.603 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.082 4.648 4.121 1.00 0.00 H new ATOM 0 HG LEU A 45 1.119 4.351 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.162 4.924 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.249 3.427 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.617 4.947 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.231 6.713 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.546 6.805 2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.369 6.522 3.758 1.00 0.00 H new ATOM 689 N MET A 46 0.967 1.518 2.711 1.00 0.00 N ATOM 690 CA MET A 46 2.271 0.936 3.007 1.00 0.00 C ATOM 691 C MET A 46 3.377 1.670 2.255 1.00 0.00 C ATOM 692 O MET A 46 3.452 1.607 1.028 1.00 0.00 O ATOM 693 CB MET A 46 2.286 -0.549 2.639 1.00 0.00 C ATOM 694 CG MET A 46 3.373 -1.340 3.348 1.00 0.00 C ATOM 695 SD MET A 46 2.910 -1.805 5.027 1.00 0.00 S ATOM 696 CE MET A 46 2.318 -3.475 4.764 1.00 0.00 C ATOM 0 H MET A 46 0.658 1.391 1.747 1.00 0.00 H new ATOM 0 HA MET A 46 2.453 1.039 4.077 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.316 -0.984 2.879 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.421 -0.647 1.562 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.595 -2.240 2.774 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.287 -0.747 3.378 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.621 -4.104 5.601 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.231 -3.468 4.690 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.742 -3.870 3.841 1.00 0.00 H new ATOM 706 N ILE A 47 4.232 2.364 2.999 1.00 0.00 N ATOM 707 CA ILE A 47 5.333 3.108 2.402 1.00 0.00 C ATOM 708 C ILE A 47 6.633 2.313 2.466 1.00 0.00 C ATOM 709 O ILE A 47 6.897 1.614 3.444 1.00 0.00 O ATOM 710 CB ILE A 47 5.540 4.465 3.100 1.00 0.00 C ATOM 711 CG1 ILE A 47 4.243 5.277 3.080 1.00 0.00 C ATOM 712 CG2 ILE A 47 6.666 5.239 2.432 1.00 0.00 C ATOM 713 CD1 ILE A 47 3.736 5.569 1.685 1.00 0.00 C ATOM 0 H ILE A 47 4.183 2.426 4.016 1.00 0.00 H new ATOM 0 HA ILE A 47 5.067 3.282 1.359 1.00 0.00 H new ATOM 0 HB ILE A 47 5.817 4.283 4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.475 4.734 3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.405 6.219 3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.800 6.196 2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.590 4.664 2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.417 5.413 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.814 6.147 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.486 6.139 1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.542 4.631 1.165 1.00 0.00 H new ATOM 725 N ASN A 48 7.442 2.425 1.418 1.00 0.00 N ATOM 726 CA ASN A 48 8.715 1.717 1.355 1.00 0.00 C ATOM 727 C ASN A 48 9.727 2.490 0.514 1.00 0.00 C ATOM 728 O ASN A 48 9.577 2.607 -0.703 1.00 0.00 O ATOM 729 CB ASN A 48 8.516 0.316 0.774 1.00 0.00 C ATOM 730 CG ASN A 48 9.830 -0.389 0.501 1.00 0.00 C ATOM 731 OD1 ASN A 48 10.393 -0.277 -0.589 1.00 0.00 O ATOM 732 ND2 ASN A 48 10.326 -1.120 1.492 1.00 0.00 N ATOM 0 H ASN A 48 7.238 3.000 0.600 1.00 0.00 H new ATOM 0 HA ASN A 48 9.104 1.630 2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.924 -0.281 1.467 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.946 0.387 -0.152 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.208 -1.617 1.367 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.825 -1.184 2.378 1.00 0.00 H new ATOM 739 N ILE A 49 10.756 3.015 1.170 1.00 0.00 N ATOM 740 CA ILE A 49 11.792 3.775 0.483 1.00 0.00 C ATOM 741 C ILE A 49 12.960 2.878 0.088 1.00 0.00 C ATOM 742 O ILE A 49 13.625 2.295 0.944 1.00 0.00 O ATOM 743 CB ILE A 49 12.318 4.929 1.357 1.00 0.00 C ATOM 744 CG1 ILE A 49 11.177 5.879 1.726 1.00 0.00 C ATOM 745 CG2 ILE A 49 13.427 5.678 0.634 1.00 0.00 C ATOM 746 CD1 ILE A 49 10.512 6.518 0.527 1.00 0.00 C ATOM 0 H ILE A 49 10.894 2.928 2.177 1.00 0.00 H new ATOM 0 HA ILE A 49 11.335 4.190 -0.415 1.00 0.00 H new ATOM 0 HB ILE A 49 12.729 4.511 2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 49 10.428 5.330 2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 49 11.564 6.663 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 49 13.788 6.490 1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 49 14.248 4.994 0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 49 13.041 6.087 -0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.713 7.179 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 49 11.248 7.095 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.095 5.742 -0.115 1.00 0.00 H new ATOM 758 N GLN A 50 13.206 2.775 -1.215 1.00 0.00 N ATOM 759 CA GLN A 50 14.295 1.950 -1.723 1.00 0.00 C ATOM 760 C GLN A 50 15.437 2.816 -2.245 1.00 0.00 C ATOM 761 O GLN A 50 15.241 3.652 -3.125 1.00 0.00 O ATOM 762 CB GLN A 50 13.790 1.028 -2.835 1.00 0.00 C ATOM 763 CG GLN A 50 12.844 -0.056 -2.343 1.00 0.00 C ATOM 764 CD GLN A 50 12.918 -1.318 -3.180 1.00 0.00 C ATOM 765 OE1 GLN A 50 13.050 -1.259 -4.403 1.00 0.00 O ATOM 766 NE2 GLN A 50 12.834 -2.469 -2.524 1.00 0.00 N ATOM 0 H GLN A 50 12.666 3.252 -1.937 1.00 0.00 H new ATOM 0 HA GLN A 50 14.670 1.343 -0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 50 13.281 1.628 -3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 50 14.644 0.559 -3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.081 -0.297 -1.307 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.823 0.325 -2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.725 -2.471 -1.510 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.878 -3.351 -3.034 1.00 0.00 H new ATOM 775 N ASN A 51 16.629 2.610 -1.694 1.00 0.00 N ATOM 776 CA ASN A 51 17.802 3.374 -2.103 1.00 0.00 C ATOM 777 C ASN A 51 18.562 2.651 -3.211 1.00 0.00 C ATOM 778 O ASN A 51 19.177 1.610 -2.980 1.00 0.00 O ATOM 779 CB ASN A 51 18.725 3.610 -0.906 1.00 0.00 C ATOM 780 CG ASN A 51 19.399 4.968 -0.955 1.00 0.00 C ATOM 781 OD1 ASN A 51 20.414 5.094 -1.803 1.00 0.00 O flip ATOM 782 ND2 ASN A 51 19.012 5.891 -0.239 1.00 0.00 N flip ATOM 0 H ASN A 51 16.808 1.921 -0.964 1.00 0.00 H new ATOM 0 HA ASN A 51 17.463 4.336 -2.487 1.00 0.00 H new ATOM 0 HB2 ASN A 51 18.149 3.526 0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 51 19.486 2.830 -0.878 1.00 0.00 H new ATOM 0 HD21 ASN A 51 18.228 5.748 0.398 1.00 0.00 H new ATOM 0 HD22 ASN A 51 19.475 6.799 -0.282 1.00 0.00 H new ATOM 789 N VAL A 52 18.515 3.211 -4.416 1.00 0.00 N ATOM 790 CA VAL A 52 19.200 2.622 -5.560 1.00 0.00 C ATOM 791 C VAL A 52 20.531 2.004 -5.146 1.00 0.00 C ATOM 792 O VAL A 52 20.900 0.928 -5.617 1.00 0.00 O ATOM 793 CB VAL A 52 19.453 3.667 -6.662 1.00 0.00 C ATOM 794 CG1 VAL A 52 20.313 4.805 -6.132 1.00 0.00 C ATOM 795 CG2 VAL A 52 20.104 3.017 -7.874 1.00 0.00 C ATOM 0 H VAL A 52 18.009 4.072 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 52 18.547 1.842 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 52 18.494 4.082 -6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 52 20.481 5.534 -6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 52 19.804 5.288 -5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 52 21.271 4.410 -5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 52 20.275 3.770 -8.643 1.00 0.00 H new ATOM 0 HG22 VAL A 52 21.056 2.574 -7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 52 19.448 2.241 -8.267 1.00 0.00 H new ATOM 892 N CYS A 59 16.464 -6.689 -1.988 1.00 0.00 N ATOM 893 CA CYS A 59 16.458 -8.058 -1.483 1.00 0.00 C ATOM 894 C CYS A 59 15.064 -8.456 -1.010 1.00 0.00 C ATOM 895 O CYS A 59 14.698 -9.632 -1.042 1.00 0.00 O ATOM 896 CB CYS A 59 17.460 -8.205 -0.337 1.00 0.00 C ATOM 897 SG CYS A 59 17.608 -9.890 0.302 1.00 0.00 S ATOM 0 HA CYS A 59 16.749 -8.721 -2.297 1.00 0.00 H new ATOM 0 HB2 CYS A 59 18.439 -7.870 -0.680 1.00 0.00 H new ATOM 0 HB3 CYS A 59 17.164 -7.544 0.477 1.00 0.00 H new ATOM 0 HG CYS A 59 16.521 -10.552 0.037 1.00 0.00 H new ATOM 903 N LEU A 60 14.290 -7.470 -0.570 1.00 0.00 N ATOM 904 CA LEU A 60 12.935 -7.718 -0.088 1.00 0.00 C ATOM 905 C LEU A 60 11.993 -8.025 -1.248 1.00 0.00 C ATOM 906 O LEU A 60 11.304 -9.045 -1.247 1.00 0.00 O ATOM 907 CB LEU A 60 12.422 -6.508 0.694 1.00 0.00 C ATOM 908 CG LEU A 60 13.037 -6.293 2.077 1.00 0.00 C ATOM 909 CD1 LEU A 60 14.221 -5.343 1.993 1.00 0.00 C ATOM 910 CD2 LEU A 60 11.992 -5.761 3.048 1.00 0.00 C ATOM 0 H LEU A 60 14.577 -6.492 -0.537 1.00 0.00 H new ATOM 0 HA LEU A 60 12.963 -8.585 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.598 -5.613 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.343 -6.606 0.810 1.00 0.00 H new ATOM 0 HG LEU A 60 13.394 -7.254 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.646 -5.202 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 60 14.978 -5.763 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.889 -4.382 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.447 -5.614 4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.605 -4.810 2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.175 -6.477 3.132 1.00 0.00 H new ATOM 922 N ASN A 61 11.970 -7.138 -2.237 1.00 0.00 N ATOM 923 CA ASN A 61 11.113 -7.315 -3.403 1.00 0.00 C ATOM 924 C ASN A 61 11.327 -8.689 -4.031 1.00 0.00 C ATOM 925 O ASN A 61 10.526 -9.140 -4.851 1.00 0.00 O ATOM 926 CB ASN A 61 11.390 -6.221 -4.437 1.00 0.00 C ATOM 927 CG ASN A 61 10.176 -5.913 -5.291 1.00 0.00 C ATOM 928 OD1 ASN A 61 9.260 -6.727 -5.405 1.00 0.00 O ATOM 929 ND2 ASN A 61 10.165 -4.731 -5.898 1.00 0.00 N ATOM 0 H ASN A 61 12.535 -6.289 -2.254 1.00 0.00 H new ATOM 0 HA ASN A 61 10.076 -7.242 -3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.710 -5.314 -3.925 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.214 -6.532 -5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.375 -4.467 -6.487 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.947 -4.087 -5.775 1.00 0.00 H new ATOM 936 N ARG A 62 12.411 -9.350 -3.640 1.00 0.00 N ATOM 937 CA ARG A 62 12.731 -10.672 -4.164 1.00 0.00 C ATOM 938 C ARG A 62 11.699 -11.701 -3.712 1.00 0.00 C ATOM 939 O ARG A 62 11.068 -12.366 -4.534 1.00 0.00 O ATOM 940 CB ARG A 62 14.127 -11.101 -3.710 1.00 0.00 C ATOM 941 CG ARG A 62 15.245 -10.251 -4.291 1.00 0.00 C ATOM 942 CD ARG A 62 15.547 -10.636 -5.730 1.00 0.00 C ATOM 943 NE ARG A 62 16.820 -10.086 -6.188 1.00 0.00 N ATOM 944 CZ ARG A 62 17.066 -9.755 -7.451 1.00 0.00 C ATOM 945 NH1 ARG A 62 16.130 -9.916 -8.376 1.00 0.00 N ATOM 946 NH2 ARG A 62 18.249 -9.259 -7.790 1.00 0.00 N ATOM 0 H ARG A 62 13.083 -8.991 -2.962 1.00 0.00 H new ATOM 0 HA ARG A 62 12.712 -10.617 -5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.176 -11.056 -2.622 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.288 -12.141 -3.993 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.964 -9.199 -4.246 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.144 -10.367 -3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.569 -11.722 -5.818 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.745 -10.280 -6.376 1.00 0.00 H new ATOM 0 HE ARG A 62 17.561 -9.948 -5.501 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.219 -10.295 -8.119 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.321 -9.661 -9.345 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.971 -9.131 -7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.437 -9.005 -8.760 1.00 0.00 H new ATOM 960 N ASP A 63 11.533 -11.827 -2.400 1.00 0.00 N ATOM 961 CA ASP A 63 10.577 -12.774 -1.837 1.00 0.00 C ATOM 962 C ASP A 63 9.498 -12.048 -1.039 1.00 0.00 C ATOM 963 O ASP A 63 8.331 -12.438 -1.056 1.00 0.00 O ATOM 964 CB ASP A 63 11.295 -13.786 -0.944 1.00 0.00 C ATOM 965 CG ASP A 63 10.469 -15.034 -0.702 1.00 0.00 C ATOM 966 OD1 ASP A 63 9.628 -15.364 -1.564 1.00 0.00 O ATOM 967 OD2 ASP A 63 10.662 -15.680 0.349 1.00 0.00 O ATOM 0 H ASP A 63 12.048 -11.285 -1.706 1.00 0.00 H new ATOM 0 HA ASP A 63 10.099 -13.303 -2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.243 -14.065 -1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.531 -13.319 0.012 1.00 0.00 H new ATOM 972 N VAL A 64 9.897 -10.990 -0.340 1.00 0.00 N ATOM 973 CA VAL A 64 8.965 -10.209 0.464 1.00 0.00 C ATOM 974 C VAL A 64 7.803 -9.700 -0.381 1.00 0.00 C ATOM 975 O VAL A 64 6.669 -10.157 -0.236 1.00 0.00 O ATOM 976 CB VAL A 64 9.666 -9.010 1.130 1.00 0.00 C ATOM 977 CG1 VAL A 64 8.692 -8.243 2.011 1.00 0.00 C ATOM 978 CG2 VAL A 64 10.871 -9.476 1.933 1.00 0.00 C ATOM 0 H VAL A 64 10.860 -10.654 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 64 8.583 -10.873 1.239 1.00 0.00 H new ATOM 0 HB VAL A 64 10.018 -8.337 0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.206 -7.400 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.864 -7.876 1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.307 -8.903 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.354 -8.616 2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.546 -10.170 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.578 -9.976 1.271 1.00 0.00 H new ATOM 988 N TRP A 65 8.092 -8.751 -1.264 1.00 0.00 N ATOM 989 CA TRP A 65 7.070 -8.179 -2.133 1.00 0.00 C ATOM 990 C TRP A 65 6.832 -9.067 -3.350 1.00 0.00 C ATOM 991 O TRP A 65 6.269 -8.625 -4.352 1.00 0.00 O ATOM 992 CB TRP A 65 7.481 -6.776 -2.583 1.00 0.00 C ATOM 993 CG TRP A 65 8.133 -5.971 -1.500 1.00 0.00 C ATOM 994 CD1 TRP A 65 9.347 -5.349 -1.558 1.00 0.00 C ATOM 995 CD2 TRP A 65 7.605 -5.705 -0.196 1.00 0.00 C ATOM 996 NE1 TRP A 65 9.606 -4.711 -0.369 1.00 0.00 N ATOM 997 CE2 TRP A 65 8.553 -4.914 0.483 1.00 0.00 C ATOM 998 CE3 TRP A 65 6.425 -6.056 0.464 1.00 0.00 C ATOM 999 CZ2 TRP A 65 8.354 -4.471 1.788 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 6.229 -5.615 1.759 1.00 0.00 C ATOM 1001 CH2 TRP A 65 7.189 -4.829 2.410 1.00 0.00 C ATOM 0 H TRP A 65 9.025 -8.361 -1.397 1.00 0.00 H new ATOM 0 HA TRP A 65 6.141 -8.114 -1.566 1.00 0.00 H new ATOM 0 HB2 TRP A 65 8.166 -6.859 -3.426 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.599 -6.244 -2.940 1.00 0.00 H new ATOM 0 HD1 TRP A 65 10.007 -5.357 -2.413 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.446 -4.173 -0.155 1.00 0.00 H new ATOM 0 HE3 TRP A 65 5.679 -6.661 -0.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 9.093 -3.866 2.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 5.320 -5.881 2.278 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.006 -4.499 3.422 1.00 0.00 H new ATOM 1012 N SER A 66 7.262 -10.321 -3.255 1.00 0.00 N ATOM 1013 CA SER A 66 7.097 -11.270 -4.350 1.00 0.00 C ATOM 1014 C SER A 66 6.101 -12.363 -3.976 1.00 0.00 C ATOM 1015 O SER A 66 5.328 -12.827 -4.813 1.00 0.00 O ATOM 1016 CB SER A 66 8.444 -11.895 -4.717 1.00 0.00 C ATOM 1017 OG SER A 66 8.332 -12.705 -5.875 1.00 0.00 O ATOM 0 H SER A 66 7.727 -10.703 -2.432 1.00 0.00 H new ATOM 0 HA SER A 66 6.708 -10.729 -5.213 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.179 -11.108 -4.889 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.809 -12.495 -3.884 1.00 0.00 H new ATOM 0 HG SER A 66 9.212 -13.071 -6.105 1.00 0.00 H new ATOM 1023 N ASN A 67 6.127 -12.771 -2.711 1.00 0.00 N ATOM 1024 CA ASN A 67 5.227 -13.811 -2.225 1.00 0.00 C ATOM 1025 C ASN A 67 3.770 -13.422 -2.458 1.00 0.00 C ATOM 1026 O ASN A 67 3.249 -12.514 -1.810 1.00 0.00 O ATOM 1027 CB ASN A 67 5.466 -14.066 -0.736 1.00 0.00 C ATOM 1028 CG ASN A 67 5.045 -15.460 -0.313 1.00 0.00 C ATOM 1029 OD1 ASN A 67 3.875 -15.704 -0.016 1.00 0.00 O ATOM 1030 ND2 ASN A 67 5.999 -16.383 -0.284 1.00 0.00 N ATOM 0 H ASN A 67 6.761 -12.398 -2.005 1.00 0.00 H new ATOM 0 HA ASN A 67 5.434 -14.725 -2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.523 -13.925 -0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.915 -13.330 -0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.775 -17.339 -0.007 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.955 -16.136 -0.538 1.00 0.00 H new ATOM 1037 N GLU A 68 3.119 -14.115 -3.386 1.00 0.00 N ATOM 1038 CA GLU A 68 1.723 -13.841 -3.704 1.00 0.00 C ATOM 1039 C GLU A 68 0.959 -13.395 -2.461 1.00 0.00 C ATOM 1040 O GLU A 68 0.345 -12.329 -2.446 1.00 0.00 O ATOM 1041 CB GLU A 68 1.060 -15.083 -4.305 1.00 0.00 C ATOM 1042 CG GLU A 68 -0.377 -14.856 -4.741 1.00 0.00 C ATOM 1043 CD GLU A 68 -0.477 -14.154 -6.081 1.00 0.00 C ATOM 1044 OE1 GLU A 68 -0.086 -12.971 -6.163 1.00 0.00 O ATOM 1045 OE2 GLU A 68 -0.945 -14.790 -7.049 1.00 0.00 O ATOM 0 H GLU A 68 3.536 -14.870 -3.931 1.00 0.00 H new ATOM 0 HA GLU A 68 1.696 -13.033 -4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.643 -15.416 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.085 -15.889 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.891 -15.816 -4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.893 -14.263 -3.985 1.00 0.00 H new ATOM 1052 N ALA A 69 1.002 -14.220 -1.420 1.00 0.00 N ATOM 1053 CA ALA A 69 0.316 -13.911 -0.171 1.00 0.00 C ATOM 1054 C ALA A 69 0.469 -12.438 0.189 1.00 0.00 C ATOM 1055 O ALA A 69 -0.517 -11.710 0.306 1.00 0.00 O ATOM 1056 CB ALA A 69 0.844 -14.790 0.953 1.00 0.00 C ATOM 0 H ALA A 69 1.505 -15.108 -1.417 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.746 -14.116 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.323 -14.548 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.676 -15.838 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.912 -14.614 1.081 1.00 0.00 H new ATOM 1062 N VAL A 70 1.713 -12.003 0.365 1.00 0.00 N ATOM 1063 CA VAL A 70 1.996 -10.615 0.712 1.00 0.00 C ATOM 1064 C VAL A 70 1.205 -9.656 -0.169 1.00 0.00 C ATOM 1065 O VAL A 70 0.476 -8.796 0.327 1.00 0.00 O ATOM 1066 CB VAL A 70 3.497 -10.298 0.578 1.00 0.00 C ATOM 1067 CG1 VAL A 70 3.765 -8.835 0.895 1.00 0.00 C ATOM 1068 CG2 VAL A 70 4.316 -11.206 1.483 1.00 0.00 C ATOM 0 H VAL A 70 2.541 -12.592 0.273 1.00 0.00 H new ATOM 0 HA VAL A 70 1.695 -10.481 1.751 1.00 0.00 H new ATOM 0 HB VAL A 70 3.798 -10.482 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.831 -8.630 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.208 -8.205 0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.449 -8.620 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.374 -10.968 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.014 -11.055 2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.148 -12.246 1.203 1.00 0.00 H new ATOM 1078 N LYS A 71 1.352 -9.808 -1.481 1.00 0.00 N ATOM 1079 CA LYS A 71 0.649 -8.957 -2.434 1.00 0.00 C ATOM 1080 C LYS A 71 -0.850 -8.951 -2.156 1.00 0.00 C ATOM 1081 O LYS A 71 -1.470 -7.892 -2.070 1.00 0.00 O ATOM 1082 CB LYS A 71 0.911 -9.434 -3.864 1.00 0.00 C ATOM 1083 CG LYS A 71 2.272 -9.027 -4.402 1.00 0.00 C ATOM 1084 CD LYS A 71 2.623 -9.789 -5.669 1.00 0.00 C ATOM 1085 CE LYS A 71 3.354 -11.086 -5.355 1.00 0.00 C ATOM 1086 NZ LYS A 71 3.093 -12.132 -6.382 1.00 0.00 N ATOM 0 H LYS A 71 1.952 -10.513 -1.909 1.00 0.00 H new ATOM 0 HA LYS A 71 1.025 -7.940 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.827 -10.520 -3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.137 -9.034 -4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.278 -7.956 -4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.033 -9.210 -3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.713 -10.009 -6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.246 -9.165 -6.310 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.425 -10.894 -5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.041 -11.451 -4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.609 -13.000 -6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.073 -12.334 -6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.414 -11.794 -7.311 1.00 0.00 H new ATOM 1100 N ASN A 72 -1.426 -10.140 -2.014 1.00 0.00 N ATOM 1101 CA ASN A 72 -2.854 -10.270 -1.744 1.00 0.00 C ATOM 1102 C ASN A 72 -3.242 -9.500 -0.485 1.00 0.00 C ATOM 1103 O ASN A 72 -4.412 -9.175 -0.281 1.00 0.00 O ATOM 1104 CB ASN A 72 -3.232 -11.745 -1.590 1.00 0.00 C ATOM 1105 CG ASN A 72 -3.392 -12.443 -2.926 1.00 0.00 C ATOM 1106 OD1 ASN A 72 -3.892 -11.860 -3.888 1.00 0.00 O ATOM 1107 ND2 ASN A 72 -2.968 -13.700 -2.991 1.00 0.00 N ATOM 0 H ASN A 72 -0.927 -11.027 -2.081 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.398 -9.848 -2.589 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.465 -12.255 -1.006 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.163 -11.822 -1.029 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.051 -14.222 -3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.560 -14.144 -2.168 1.00 0.00 H new ATOM 1114 N ILE A 73 -2.253 -9.211 0.353 1.00 0.00 N ATOM 1115 CA ILE A 73 -2.491 -8.477 1.590 1.00 0.00 C ATOM 1116 C ILE A 73 -2.336 -6.975 1.377 1.00 0.00 C ATOM 1117 O ILE A 73 -3.162 -6.185 1.835 1.00 0.00 O ATOM 1118 CB ILE A 73 -1.529 -8.928 2.706 1.00 0.00 C ATOM 1119 CG1 ILE A 73 -1.718 -10.417 3.001 1.00 0.00 C ATOM 1120 CG2 ILE A 73 -1.752 -8.100 3.963 1.00 0.00 C ATOM 1121 CD1 ILE A 73 -0.598 -11.017 3.822 1.00 0.00 C ATOM 0 H ILE A 73 -1.280 -9.474 0.198 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.515 -8.694 1.894 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.504 -8.772 2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.661 -10.558 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.797 -10.959 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.065 -8.430 4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.572 -7.048 3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.779 -8.228 4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.798 -12.075 3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.345 -10.908 3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.532 -10.501 4.780 1.00 0.00 H new ATOM 1133 N ILE A 74 -1.274 -6.589 0.678 1.00 0.00 N ATOM 1134 CA ILE A 74 -1.013 -5.182 0.401 1.00 0.00 C ATOM 1135 C ILE A 74 -1.839 -4.692 -0.784 1.00 0.00 C ATOM 1136 O ILE A 74 -1.608 -3.601 -1.305 1.00 0.00 O ATOM 1137 CB ILE A 74 0.479 -4.932 0.112 1.00 0.00 C ATOM 1138 CG1 ILE A 74 1.350 -5.761 1.058 1.00 0.00 C ATOM 1139 CG2 ILE A 74 0.804 -3.452 0.244 1.00 0.00 C ATOM 1140 CD1 ILE A 74 2.813 -5.776 0.674 1.00 0.00 C ATOM 0 H ILE A 74 -0.581 -7.231 0.293 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.299 -4.626 1.294 1.00 0.00 H new ATOM 0 HB ILE A 74 0.692 -5.240 -0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.252 -5.366 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.977 -6.785 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.862 -3.292 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.205 -2.883 -0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.578 -3.119 1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.370 -6.382 1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.923 -6.199 -0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.202 -4.758 0.682 1.00 0.00 H new ATOM 1152 N ARG A 75 -2.802 -5.505 -1.203 1.00 0.00 N ATOM 1153 CA ARG A 75 -3.663 -5.155 -2.327 1.00 0.00 C ATOM 1154 C ARG A 75 -5.092 -4.901 -1.858 1.00 0.00 C ATOM 1155 O ARG A 75 -5.819 -4.106 -2.453 1.00 0.00 O ATOM 1156 CB ARG A 75 -3.649 -6.270 -3.374 1.00 0.00 C ATOM 1157 CG ARG A 75 -4.572 -7.430 -3.041 1.00 0.00 C ATOM 1158 CD ARG A 75 -4.806 -8.321 -4.251 1.00 0.00 C ATOM 1159 NE ARG A 75 -5.860 -9.303 -4.012 1.00 0.00 N ATOM 1160 CZ ARG A 75 -7.151 -9.060 -4.213 1.00 0.00 C ATOM 1161 NH1 ARG A 75 -7.544 -7.874 -4.654 1.00 0.00 N ATOM 1162 NH2 ARG A 75 -8.050 -10.005 -3.972 1.00 0.00 N ATOM 0 H ARG A 75 -3.006 -6.411 -0.781 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.278 -4.239 -2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.936 -5.854 -4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.631 -6.645 -3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.140 -8.019 -2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.526 -7.045 -2.681 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.073 -7.704 -5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.880 -8.837 -4.505 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.591 -10.226 -3.672 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.855 -7.145 -4.840 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.535 -7.690 -4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.751 -10.919 -3.632 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.041 -9.818 -4.126 1.00 0.00 H new ATOM 1176 N GLU A 76 -5.488 -5.582 -0.787 1.00 0.00 N ATOM 1177 CA GLU A 76 -6.831 -5.431 -0.240 1.00 0.00 C ATOM 1178 C GLU A 76 -6.799 -4.661 1.077 1.00 0.00 C ATOM 1179 O GLU A 76 -7.691 -3.863 1.365 1.00 0.00 O ATOM 1180 CB GLU A 76 -7.477 -6.802 -0.026 1.00 0.00 C ATOM 1181 CG GLU A 76 -8.941 -6.729 0.373 1.00 0.00 C ATOM 1182 CD GLU A 76 -9.842 -6.335 -0.781 1.00 0.00 C ATOM 1183 OE1 GLU A 76 -9.373 -5.601 -1.676 1.00 0.00 O ATOM 1184 OE2 GLU A 76 -11.016 -6.760 -0.789 1.00 0.00 O ATOM 0 H GLU A 76 -4.898 -6.243 -0.281 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.425 -4.866 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.388 -7.384 -0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.925 -7.338 0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.257 -7.698 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.057 -6.008 1.182 1.00 0.00 H new ATOM 1191 N HIS A 77 -5.763 -4.907 1.874 1.00 0.00 N ATOM 1192 CA HIS A 77 -5.613 -4.237 3.161 1.00 0.00 C ATOM 1193 C HIS A 77 -4.836 -2.933 3.008 1.00 0.00 C ATOM 1194 O HIS A 77 -5.366 -1.850 3.255 1.00 0.00 O ATOM 1195 CB HIS A 77 -4.903 -5.154 4.157 1.00 0.00 C ATOM 1196 CG HIS A 77 -5.660 -6.410 4.460 1.00 0.00 C ATOM 1197 ND1 HIS A 77 -5.421 -7.695 4.107 1.00 0.00 N flip ATOM 1198 CD2 HIS A 77 -6.816 -6.429 5.212 1.00 0.00 C flip ATOM 1199 CE1 HIS A 77 -6.426 -8.459 4.647 1.00 0.00 C flip ATOM 1200 NE2 HIS A 77 -7.255 -7.671 5.309 1.00 0.00 N flip ATOM 0 H HIS A 77 -5.016 -5.565 1.651 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.608 -4.003 3.539 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.922 -5.417 3.760 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.735 -4.608 5.085 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.288 -5.564 5.653 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -6.523 -9.530 4.547 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -8.092 -7.971 5.810 1.00 0.00 H new ATOM 1209 N PHE A 78 -3.576 -3.045 2.600 1.00 0.00 N ATOM 1210 CA PHE A 78 -2.725 -1.876 2.415 1.00 0.00 C ATOM 1211 C PHE A 78 -2.566 -1.547 0.934 1.00 0.00 C ATOM 1212 O PHE A 78 -3.082 -2.258 0.071 1.00 0.00 O ATOM 1213 CB PHE A 78 -1.352 -2.114 3.047 1.00 0.00 C ATOM 1214 CG PHE A 78 -1.420 -2.711 4.423 1.00 0.00 C ATOM 1215 CD1 PHE A 78 -1.751 -4.045 4.598 1.00 0.00 C ATOM 1216 CD2 PHE A 78 -1.154 -1.938 5.542 1.00 0.00 C ATOM 1217 CE1 PHE A 78 -1.815 -4.598 5.863 1.00 0.00 C ATOM 1218 CE2 PHE A 78 -1.216 -2.486 6.810 1.00 0.00 C ATOM 1219 CZ PHE A 78 -1.548 -3.817 6.971 1.00 0.00 C ATOM 0 H PHE A 78 -3.122 -3.934 2.391 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.202 -1.029 2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.774 -2.775 2.401 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.815 -1.167 3.097 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.962 -4.660 3.736 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.895 -0.896 5.422 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.073 -5.639 5.985 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.005 -1.874 7.674 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.599 -4.246 7.961 1.00 0.00 H new ATOM 1229 N ILE A 79 -1.848 -0.466 0.647 1.00 0.00 N ATOM 1230 CA ILE A 79 -1.620 -0.044 -0.729 1.00 0.00 C ATOM 1231 C ILE A 79 -0.133 -0.039 -1.064 1.00 0.00 C ATOM 1232 O ILE A 79 0.654 0.667 -0.433 1.00 0.00 O ATOM 1233 CB ILE A 79 -2.198 1.360 -0.990 1.00 0.00 C ATOM 1234 CG1 ILE A 79 -3.691 1.391 -0.657 1.00 0.00 C ATOM 1235 CG2 ILE A 79 -1.964 1.769 -2.436 1.00 0.00 C ATOM 1236 CD1 ILE A 79 -4.507 0.391 -1.448 1.00 0.00 C ATOM 0 H ILE A 79 -1.414 0.133 1.349 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.131 -0.764 -1.368 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.686 2.073 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.822 1.194 0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.077 2.393 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.378 2.763 -2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.894 1.782 -2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.452 1.055 -3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.556 0.469 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.406 0.600 -2.513 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.148 -0.617 -1.241 1.00 0.00 H new ATOM 1248 N PHE A 80 0.246 -0.831 -2.061 1.00 0.00 N ATOM 1249 CA PHE A 80 1.640 -0.918 -2.481 1.00 0.00 C ATOM 1250 C PHE A 80 2.138 0.430 -2.995 1.00 0.00 C ATOM 1251 O PHE A 80 1.666 0.930 -4.016 1.00 0.00 O ATOM 1252 CB PHE A 80 1.802 -1.983 -3.568 1.00 0.00 C ATOM 1253 CG PHE A 80 3.222 -2.431 -3.761 1.00 0.00 C ATOM 1254 CD1 PHE A 80 3.893 -3.103 -2.752 1.00 0.00 C ATOM 1255 CD2 PHE A 80 3.886 -2.182 -4.951 1.00 0.00 C ATOM 1256 CE1 PHE A 80 5.201 -3.516 -2.927 1.00 0.00 C ATOM 1257 CE2 PHE A 80 5.193 -2.593 -5.132 1.00 0.00 C ATOM 1258 CZ PHE A 80 5.851 -3.262 -4.118 1.00 0.00 C ATOM 0 H PHE A 80 -0.392 -1.422 -2.593 1.00 0.00 H new ATOM 0 HA PHE A 80 2.238 -1.200 -1.614 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.188 -2.847 -3.313 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.422 -1.589 -4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 80 3.389 -3.306 -1.819 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.376 -1.660 -5.747 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.714 -4.037 -2.132 1.00 0.00 H new ATOM 0 HE2 PHE A 80 5.699 -2.392 -6.065 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.872 -3.586 -4.257 1.00 0.00 H new ATOM 1268 N TRP A 81 3.094 1.012 -2.280 1.00 0.00 N ATOM 1269 CA TRP A 81 3.657 2.302 -2.663 1.00 0.00 C ATOM 1270 C TRP A 81 5.167 2.321 -2.454 1.00 0.00 C ATOM 1271 O TRP A 81 5.644 2.430 -1.326 1.00 0.00 O ATOM 1272 CB TRP A 81 3.004 3.425 -1.856 1.00 0.00 C ATOM 1273 CG TRP A 81 2.954 4.732 -2.590 1.00 0.00 C ATOM 1274 CD1 TRP A 81 2.085 5.081 -3.584 1.00 0.00 C ATOM 1275 CD2 TRP A 81 3.811 5.861 -2.388 1.00 0.00 C ATOM 1276 NE1 TRP A 81 2.350 6.359 -4.012 1.00 0.00 N ATOM 1277 CE2 TRP A 81 3.404 6.860 -3.294 1.00 0.00 C ATOM 1278 CE3 TRP A 81 4.881 6.126 -1.529 1.00 0.00 C ATOM 1279 CZ2 TRP A 81 4.031 8.101 -3.364 1.00 0.00 C ATOM 1280 CZ3 TRP A 81 5.502 7.358 -1.600 1.00 0.00 C ATOM 1281 CH2 TRP A 81 5.076 8.334 -2.511 1.00 0.00 C ATOM 0 H TRP A 81 3.496 0.611 -1.432 1.00 0.00 H new ATOM 0 HA TRP A 81 3.454 2.459 -3.722 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.990 3.128 -1.588 1.00 0.00 H new ATOM 0 HB3 TRP A 81 3.553 3.560 -0.924 1.00 0.00 H new ATOM 0 HD1 TRP A 81 1.304 4.446 -3.976 1.00 0.00 H new ATOM 0 HE1 TRP A 81 1.844 6.855 -4.746 1.00 0.00 H new ATOM 0 HE3 TRP A 81 5.216 5.381 -0.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 3.704 8.853 -4.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.331 7.573 -0.942 1.00 0.00 H new ATOM 0 HH2 TRP A 81 5.582 9.288 -2.541 1.00 0.00 H new ATOM 1292 N GLN A 82 5.913 2.214 -3.550 1.00 0.00 N ATOM 1293 CA GLN A 82 7.369 2.219 -3.485 1.00 0.00 C ATOM 1294 C GLN A 82 7.948 3.347 -4.332 1.00 0.00 C ATOM 1295 O GLN A 82 7.617 3.485 -5.510 1.00 0.00 O ATOM 1296 CB GLN A 82 7.926 0.874 -3.955 1.00 0.00 C ATOM 1297 CG GLN A 82 9.274 0.527 -3.344 1.00 0.00 C ATOM 1298 CD GLN A 82 10.004 -0.553 -4.118 1.00 0.00 C ATOM 1299 OE1 GLN A 82 10.298 -1.624 -3.585 1.00 0.00 O ATOM 1300 NE2 GLN A 82 10.302 -0.278 -5.382 1.00 0.00 N ATOM 0 H GLN A 82 5.533 2.123 -4.492 1.00 0.00 H new ATOM 0 HA GLN A 82 7.661 2.382 -2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.212 0.088 -3.709 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.022 0.889 -5.041 1.00 0.00 H new ATOM 0 HG2 GLN A 82 9.893 1.423 -3.306 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.128 0.196 -2.316 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.040 0.622 -5.784 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.793 -0.967 -5.952 1.00 0.00 H new ATOM 1309 N VAL A 83 8.815 4.151 -3.726 1.00 0.00 N ATOM 1310 CA VAL A 83 9.442 5.267 -4.425 1.00 0.00 C ATOM 1311 C VAL A 83 10.907 5.410 -4.030 1.00 0.00 C ATOM 1312 O VAL A 83 11.295 5.078 -2.910 1.00 0.00 O ATOM 1313 CB VAL A 83 8.712 6.592 -4.135 1.00 0.00 C ATOM 1314 CG1 VAL A 83 7.281 6.537 -4.649 1.00 0.00 C ATOM 1315 CG2 VAL A 83 8.740 6.900 -2.645 1.00 0.00 C ATOM 0 H VAL A 83 9.100 4.051 -2.752 1.00 0.00 H new ATOM 0 HA VAL A 83 9.376 5.050 -5.491 1.00 0.00 H new ATOM 0 HB VAL A 83 9.231 7.395 -4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.781 7.482 -4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.287 6.365 -5.725 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.748 5.725 -4.155 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.220 7.839 -2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.246 6.097 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.774 6.985 -2.310 1.00 0.00 H new ATOM 1325 N TYR A 84 11.718 5.906 -4.958 1.00 0.00 N ATOM 1326 CA TYR A 84 13.143 6.092 -4.708 1.00 0.00 C ATOM 1327 C TYR A 84 13.404 7.423 -4.010 1.00 0.00 C ATOM 1328 O TYR A 84 12.578 8.334 -4.056 1.00 0.00 O ATOM 1329 CB TYR A 84 13.924 6.029 -6.021 1.00 0.00 C ATOM 1330 CG TYR A 84 14.033 4.635 -6.595 1.00 0.00 C ATOM 1331 CD1 TYR A 84 12.910 3.828 -6.732 1.00 0.00 C ATOM 1332 CD2 TYR A 84 15.260 4.124 -7.002 1.00 0.00 C ATOM 1333 CE1 TYR A 84 13.005 2.554 -7.255 1.00 0.00 C ATOM 1334 CE2 TYR A 84 15.364 2.851 -7.528 1.00 0.00 C ATOM 1335 CZ TYR A 84 14.234 2.069 -7.652 1.00 0.00 C ATOM 1336 OH TYR A 84 14.333 0.800 -8.175 1.00 0.00 O ATOM 0 H TYR A 84 11.413 6.187 -5.890 1.00 0.00 H new ATOM 0 HA TYR A 84 13.480 5.288 -4.054 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.441 6.677 -6.752 1.00 0.00 H new ATOM 0 HB3 TYR A 84 14.926 6.425 -5.857 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.946 4.204 -6.424 1.00 0.00 H new ATOM 0 HD2 TYR A 84 16.147 4.733 -6.905 1.00 0.00 H new ATOM 0 HE1 TYR A 84 12.122 1.940 -7.353 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.325 2.470 -7.841 1.00 0.00 H new ATOM 0 HH TYR A 84 15.267 0.613 -8.405 1.00 0.00 H new ATOM 1346 N HIS A 85 14.562 7.527 -3.364 1.00 0.00 N ATOM 1347 CA HIS A 85 14.935 8.747 -2.657 1.00 0.00 C ATOM 1348 C HIS A 85 15.502 9.783 -3.622 1.00 0.00 C ATOM 1349 O HIS A 85 16.136 10.753 -3.205 1.00 0.00 O ATOM 1350 CB HIS A 85 15.959 8.435 -1.565 1.00 0.00 C ATOM 1351 CG HIS A 85 17.277 7.963 -2.097 1.00 0.00 C ATOM 1352 ND1 HIS A 85 18.490 8.563 -2.117 1.00 0.00 N flip ATOM 1353 CD2 HIS A 85 17.449 6.735 -2.700 1.00 0.00 C flip ATOM 1354 CE1 HIS A 85 19.364 7.695 -2.723 1.00 0.00 C flip ATOM 1355 NE2 HIS A 85 18.711 6.599 -3.065 1.00 0.00 N flip ATOM 0 H HIS A 85 15.257 6.782 -3.316 1.00 0.00 H new ATOM 0 HA HIS A 85 14.037 9.160 -2.196 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.119 9.329 -0.962 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.550 7.673 -0.902 1.00 0.00 H new ATOM 0 HD1 HIS A 85 18.713 9.488 -1.750 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.673 5.999 -2.850 1.00 0.00 H new ATOM 0 HE1 HIS A 85 20.415 7.878 -2.893 1.00 0.00 H new ATOM 1364 N ASP A 86 15.271 9.570 -4.913 1.00 0.00 N ATOM 1365 CA ASP A 86 15.759 10.486 -5.938 1.00 0.00 C ATOM 1366 C ASP A 86 14.602 11.233 -6.594 1.00 0.00 C ATOM 1367 O ASP A 86 14.718 12.415 -6.920 1.00 0.00 O ATOM 1368 CB ASP A 86 16.555 9.722 -6.997 1.00 0.00 C ATOM 1369 CG ASP A 86 16.858 10.570 -8.217 1.00 0.00 C ATOM 1370 OD1 ASP A 86 15.900 11.061 -8.850 1.00 0.00 O ATOM 1371 OD2 ASP A 86 18.052 10.741 -8.540 1.00 0.00 O ATOM 0 H ASP A 86 14.749 8.772 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 86 16.413 11.214 -5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 86 17.490 9.371 -6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 86 15.994 8.839 -7.302 1.00 0.00 H new ATOM 1376 N SER A 87 13.487 10.536 -6.786 1.00 0.00 N ATOM 1377 CA SER A 87 12.310 11.132 -7.408 1.00 0.00 C ATOM 1378 C SER A 87 11.796 12.307 -6.582 1.00 0.00 C ATOM 1379 O SER A 87 12.257 12.544 -5.467 1.00 0.00 O ATOM 1380 CB SER A 87 11.206 10.085 -7.568 1.00 0.00 C ATOM 1381 OG SER A 87 10.840 9.534 -6.315 1.00 0.00 O ATOM 0 H SER A 87 13.374 9.558 -6.520 1.00 0.00 H new ATOM 0 HA SER A 87 12.597 11.500 -8.393 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.334 10.540 -8.037 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.547 9.291 -8.232 1.00 0.00 H new ATOM 0 HG SER A 87 10.132 8.869 -6.444 1.00 0.00 H new ATOM 1387 N GLU A 88 10.836 13.039 -7.140 1.00 0.00 N ATOM 1388 CA GLU A 88 10.260 14.191 -6.456 1.00 0.00 C ATOM 1389 C GLU A 88 9.634 13.777 -5.127 1.00 0.00 C ATOM 1390 O GLU A 88 10.043 14.244 -4.065 1.00 0.00 O ATOM 1391 CB GLU A 88 9.207 14.863 -7.340 1.00 0.00 C ATOM 1392 CG GLU A 88 9.767 15.412 -8.642 1.00 0.00 C ATOM 1393 CD GLU A 88 8.727 16.160 -9.454 1.00 0.00 C ATOM 1394 OE1 GLU A 88 7.632 15.602 -9.673 1.00 0.00 O ATOM 1395 OE2 GLU A 88 9.009 17.304 -9.869 1.00 0.00 O ATOM 0 H GLU A 88 10.442 12.855 -8.062 1.00 0.00 H new ATOM 0 HA GLU A 88 11.062 14.901 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.422 14.142 -7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.742 15.676 -6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.600 16.080 -8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.165 14.590 -9.237 1.00 0.00 H new ATOM 1402 N GLU A 89 8.639 12.897 -5.196 1.00 0.00 N ATOM 1403 CA GLU A 89 7.956 12.422 -3.999 1.00 0.00 C ATOM 1404 C GLU A 89 8.961 11.970 -2.943 1.00 0.00 C ATOM 1405 O GLU A 89 8.878 12.366 -1.781 1.00 0.00 O ATOM 1406 CB GLU A 89 7.012 11.269 -4.348 1.00 0.00 C ATOM 1407 CG GLU A 89 5.879 11.670 -5.276 1.00 0.00 C ATOM 1408 CD GLU A 89 6.324 11.797 -6.720 1.00 0.00 C ATOM 1409 OE1 GLU A 89 6.673 10.762 -7.326 1.00 0.00 O ATOM 1410 OE2 GLU A 89 6.326 12.931 -7.244 1.00 0.00 O ATOM 0 H GLU A 89 8.289 12.499 -6.068 1.00 0.00 H new ATOM 0 HA GLU A 89 7.374 13.248 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.587 10.469 -4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.591 10.864 -3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.081 10.930 -5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.461 12.620 -4.944 1.00 0.00 H new ATOM 1417 N GLY A 90 9.910 11.136 -3.356 1.00 0.00 N ATOM 1418 CA GLY A 90 10.917 10.642 -2.435 1.00 0.00 C ATOM 1419 C GLY A 90 11.625 11.761 -1.696 1.00 0.00 C ATOM 1420 O GLY A 90 11.721 11.738 -0.469 1.00 0.00 O ATOM 0 H GLY A 90 10.000 10.793 -4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.448 9.974 -1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.651 10.053 -2.985 1.00 0.00 H new ATOM 1424 N GLN A 91 12.121 12.741 -2.444 1.00 0.00 N ATOM 1425 CA GLN A 91 12.826 13.871 -1.852 1.00 0.00 C ATOM 1426 C GLN A 91 12.014 14.483 -0.715 1.00 0.00 C ATOM 1427 O GLN A 91 12.556 14.809 0.342 1.00 0.00 O ATOM 1428 CB GLN A 91 13.117 14.932 -2.915 1.00 0.00 C ATOM 1429 CG GLN A 91 14.062 14.456 -4.006 1.00 0.00 C ATOM 1430 CD GLN A 91 15.520 14.594 -3.617 1.00 0.00 C ATOM 1431 OE1 GLN A 91 15.907 15.548 -2.941 1.00 0.00 O ATOM 1432 NE2 GLN A 91 16.340 13.639 -4.042 1.00 0.00 N ATOM 0 H GLN A 91 12.048 12.775 -3.461 1.00 0.00 H new ATOM 0 HA GLN A 91 13.769 13.506 -1.446 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.178 15.245 -3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.546 15.810 -2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 91 13.849 13.412 -4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 91 13.877 15.027 -4.916 1.00 0.00 H new ATOM 0 HE21 GLN A 91 15.977 12.866 -4.600 1.00 0.00 H new ATOM 0 HE22 GLN A 91 17.333 13.679 -3.810 1.00 0.00 H new ATOM 1441 N ARG A 92 10.713 14.637 -0.939 1.00 0.00 N ATOM 1442 CA ARG A 92 9.827 15.212 0.066 1.00 0.00 C ATOM 1443 C ARG A 92 9.669 14.268 1.254 1.00 0.00 C ATOM 1444 O ARG A 92 9.994 14.621 2.388 1.00 0.00 O ATOM 1445 CB ARG A 92 8.458 15.515 -0.544 1.00 0.00 C ATOM 1446 CG ARG A 92 8.512 16.497 -1.704 1.00 0.00 C ATOM 1447 CD ARG A 92 7.363 16.275 -2.675 1.00 0.00 C ATOM 1448 NE ARG A 92 7.591 16.941 -3.954 1.00 0.00 N ATOM 1449 CZ ARG A 92 7.408 18.242 -4.149 1.00 0.00 C ATOM 1450 NH1 ARG A 92 6.997 19.013 -3.152 1.00 0.00 N ATOM 1451 NH2 ARG A 92 7.638 18.775 -5.342 1.00 0.00 N ATOM 0 H ARG A 92 10.249 14.372 -1.808 1.00 0.00 H new ATOM 0 HA ARG A 92 10.273 16.142 0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.009 14.583 -0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.805 15.917 0.231 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.474 17.517 -1.321 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.461 16.389 -2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.231 15.206 -2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.438 16.646 -2.233 1.00 0.00 H new ATOM 0 HE ARG A 92 7.908 16.376 -4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.821 18.607 -2.233 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.857 20.012 -3.304 1.00 0.00 H new ATOM 0 HH21 ARG A 92 7.956 18.185 -6.111 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.497 19.774 -5.490 1.00 0.00 H new ATOM 1465 N TYR A 93 9.167 13.068 0.987 1.00 0.00 N ATOM 1466 CA TYR A 93 8.962 12.074 2.034 1.00 0.00 C ATOM 1467 C TYR A 93 10.072 12.146 3.078 1.00 0.00 C ATOM 1468 O TYR A 93 9.807 12.253 4.276 1.00 0.00 O ATOM 1469 CB TYR A 93 8.906 10.670 1.430 1.00 0.00 C ATOM 1470 CG TYR A 93 8.493 9.602 2.417 1.00 0.00 C ATOM 1471 CD1 TYR A 93 9.440 8.933 3.183 1.00 0.00 C ATOM 1472 CD2 TYR A 93 7.156 9.261 2.584 1.00 0.00 C ATOM 1473 CE1 TYR A 93 9.068 7.956 4.086 1.00 0.00 C ATOM 1474 CE2 TYR A 93 6.775 8.286 3.486 1.00 0.00 C ATOM 1475 CZ TYR A 93 7.734 7.637 4.234 1.00 0.00 C ATOM 1476 OH TYR A 93 7.358 6.664 5.133 1.00 0.00 O ATOM 0 H TYR A 93 8.894 12.760 0.054 1.00 0.00 H new ATOM 0 HA TYR A 93 8.012 12.290 2.523 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.206 10.671 0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.886 10.419 1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 93 10.485 9.181 3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.402 9.767 1.999 1.00 0.00 H new ATOM 0 HE1 TYR A 93 9.817 7.445 4.673 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.732 8.034 3.604 1.00 0.00 H new ATOM 0 HH TYR A 93 6.384 6.562 5.116 1.00 0.00 H new ATOM 1486 N ILE A 94 11.316 12.087 2.614 1.00 0.00 N ATOM 1487 CA ILE A 94 12.467 12.148 3.507 1.00 0.00 C ATOM 1488 C ILE A 94 12.226 13.128 4.649 1.00 0.00 C ATOM 1489 O ILE A 94 12.303 12.761 5.821 1.00 0.00 O ATOM 1490 CB ILE A 94 13.744 12.560 2.751 1.00 0.00 C ATOM 1491 CG1 ILE A 94 14.076 11.533 1.667 1.00 0.00 C ATOM 1492 CG2 ILE A 94 14.907 12.712 3.720 1.00 0.00 C ATOM 1493 CD1 ILE A 94 15.086 12.027 0.655 1.00 0.00 C ATOM 0 H ILE A 94 11.552 11.997 1.626 1.00 0.00 H new ATOM 0 HA ILE A 94 12.603 11.147 3.915 1.00 0.00 H new ATOM 0 HB ILE A 94 13.569 13.522 2.270 1.00 0.00 H new ATOM 0 HG12 ILE A 94 14.460 10.629 2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 94 13.159 11.256 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 94 15.802 13.003 3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.668 13.478 4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 94 15.085 11.763 4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 94 15.273 11.247 -0.083 1.00 0.00 H new ATOM 0 HD12 ILE A 94 14.696 12.914 0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 94 16.018 12.277 1.163 1.00 0.00 H new ATOM 1505 N GLN A 95 11.933 14.376 4.298 1.00 0.00 N ATOM 1506 CA GLN A 95 11.679 15.410 5.295 1.00 0.00 C ATOM 1507 C GLN A 95 10.463 15.059 6.146 1.00 0.00 C ATOM 1508 O GLN A 95 10.479 15.221 7.366 1.00 0.00 O ATOM 1509 CB GLN A 95 11.467 16.763 4.614 1.00 0.00 C ATOM 1510 CG GLN A 95 12.762 17.478 4.264 1.00 0.00 C ATOM 1511 CD GLN A 95 13.580 17.837 5.488 1.00 0.00 C ATOM 1512 OE1 GLN A 95 13.032 18.122 6.554 1.00 0.00 O ATOM 1513 NE2 GLN A 95 14.900 17.825 5.343 1.00 0.00 N ATOM 0 H GLN A 95 11.866 14.696 3.332 1.00 0.00 H new ATOM 0 HA GLN A 95 12.550 15.472 5.948 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.886 16.615 3.704 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.875 17.402 5.270 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.357 16.843 3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.532 18.386 3.706 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.312 17.583 4.442 1.00 0.00 H new ATOM 0 HE22 GLN A 95 15.502 18.058 6.133 1.00 0.00 H new ATOM 1522 N PHE A 96 9.410 14.577 5.494 1.00 0.00 N ATOM 1523 CA PHE A 96 8.185 14.204 6.191 1.00 0.00 C ATOM 1524 C PHE A 96 8.499 13.591 7.553 1.00 0.00 C ATOM 1525 O PHE A 96 8.104 14.123 8.591 1.00 0.00 O ATOM 1526 CB PHE A 96 7.375 13.216 5.350 1.00 0.00 C ATOM 1527 CG PHE A 96 5.942 13.094 5.782 1.00 0.00 C ATOM 1528 CD1 PHE A 96 5.625 12.723 7.079 1.00 0.00 C ATOM 1529 CD2 PHE A 96 4.911 13.349 4.892 1.00 0.00 C ATOM 1530 CE1 PHE A 96 4.308 12.610 7.481 1.00 0.00 C ATOM 1531 CE2 PHE A 96 3.592 13.239 5.288 1.00 0.00 C ATOM 1532 CZ PHE A 96 3.290 12.867 6.584 1.00 0.00 C ATOM 0 H PHE A 96 9.381 14.436 4.484 1.00 0.00 H new ATOM 0 HA PHE A 96 7.596 15.108 6.346 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.406 13.529 4.306 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.847 12.235 5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.417 12.520 7.784 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.141 13.637 3.877 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.075 12.321 8.495 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.798 13.444 4.585 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.260 12.777 6.895 1.00 0.00 H new ATOM 1542 N TYR A 97 9.211 12.470 7.541 1.00 0.00 N ATOM 1543 CA TYR A 97 9.576 11.782 8.774 1.00 0.00 C ATOM 1544 C TYR A 97 11.079 11.868 9.021 1.00 0.00 C ATOM 1545 O TYR A 97 11.632 11.118 9.826 1.00 0.00 O ATOM 1546 CB TYR A 97 9.140 10.318 8.714 1.00 0.00 C ATOM 1547 CG TYR A 97 7.813 10.109 8.018 1.00 0.00 C ATOM 1548 CD1 TYR A 97 7.702 10.238 6.639 1.00 0.00 C ATOM 1549 CD2 TYR A 97 6.672 9.783 8.740 1.00 0.00 C ATOM 1550 CE1 TYR A 97 6.492 10.049 6.000 1.00 0.00 C ATOM 1551 CE2 TYR A 97 5.458 9.590 8.109 1.00 0.00 C ATOM 1552 CZ TYR A 97 5.373 9.724 6.739 1.00 0.00 C ATOM 1553 OH TYR A 97 4.166 9.535 6.106 1.00 0.00 O ATOM 0 H TYR A 97 9.547 12.018 6.691 1.00 0.00 H new ATOM 0 HA TYR A 97 9.062 12.273 9.600 1.00 0.00 H new ATOM 0 HB2 TYR A 97 9.907 9.740 8.198 1.00 0.00 H new ATOM 0 HB3 TYR A 97 9.074 9.925 9.729 1.00 0.00 H new ATOM 0 HD1 TYR A 97 8.576 10.490 6.057 1.00 0.00 H new ATOM 0 HD2 TYR A 97 6.735 9.679 9.813 1.00 0.00 H new ATOM 0 HE1 TYR A 97 6.422 10.155 4.927 1.00 0.00 H new ATOM 0 HE2 TYR A 97 4.581 9.336 8.685 1.00 0.00 H new ATOM 0 HH TYR A 97 3.660 10.375 6.108 1.00 0.00 H new ATOM 1563 N LYS A 98 11.735 12.788 8.323 1.00 0.00 N ATOM 1564 CA LYS A 98 13.174 12.976 8.465 1.00 0.00 C ATOM 1565 C LYS A 98 13.915 11.654 8.291 1.00 0.00 C ATOM 1566 O LYS A 98 14.856 11.356 9.027 1.00 0.00 O ATOM 1567 CB LYS A 98 13.497 13.577 9.835 1.00 0.00 C ATOM 1568 CG LYS A 98 12.906 14.959 10.047 1.00 0.00 C ATOM 1569 CD LYS A 98 11.436 14.885 10.426 1.00 0.00 C ATOM 1570 CE LYS A 98 10.855 16.267 10.682 1.00 0.00 C ATOM 1571 NZ LYS A 98 9.421 16.202 11.076 1.00 0.00 N ATOM 0 H LYS A 98 11.292 13.416 7.652 1.00 0.00 H new ATOM 0 HA LYS A 98 13.505 13.663 7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.126 12.909 10.612 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.579 13.632 9.952 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.459 15.476 10.831 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.019 15.547 9.136 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.878 14.397 9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.320 14.270 11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.426 16.761 11.469 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.957 16.876 9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.062 17.164 11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.872 15.754 10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.325 15.642 11.947 1.00 0.00 H new ATOM 1585 N LEU A 99 13.486 10.865 7.312 1.00 0.00 N ATOM 1586 CA LEU A 99 14.110 9.575 7.040 1.00 0.00 C ATOM 1587 C LEU A 99 15.607 9.735 6.795 1.00 0.00 C ATOM 1588 O LEU A 99 16.072 10.805 6.405 1.00 0.00 O ATOM 1589 CB LEU A 99 13.451 8.914 5.827 1.00 0.00 C ATOM 1590 CG LEU A 99 14.261 7.814 5.141 1.00 0.00 C ATOM 1591 CD1 LEU A 99 13.337 6.816 4.459 1.00 0.00 C ATOM 1592 CD2 LEU A 99 15.233 8.415 4.136 1.00 0.00 C ATOM 0 H LEU A 99 12.709 11.096 6.693 1.00 0.00 H new ATOM 0 HA LEU A 99 13.970 8.939 7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.497 8.492 6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 99 13.231 9.688 5.092 1.00 0.00 H new ATOM 0 HG LEU A 99 14.836 7.285 5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 99 13.932 6.041 3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 99 12.681 6.361 5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.735 7.331 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 99 15.801 7.617 3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 99 14.678 8.969 3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 99 15.917 9.090 4.650 1.00 0.00 H new ATOM 1604 N GLY A 100 16.357 8.661 7.027 1.00 0.00 N ATOM 1605 CA GLY A 100 17.793 8.703 6.824 1.00 0.00 C ATOM 1606 C GLY A 100 18.392 7.324 6.633 1.00 0.00 C ATOM 1607 O GLY A 100 19.367 7.159 5.900 1.00 0.00 O ATOM 0 H GLY A 100 15.996 7.764 7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.016 9.317 5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.264 9.185 7.681 1.00 0.00 H new ATOM 1611 N ASP A 101 17.809 6.330 7.294 1.00 0.00 N ATOM 1612 CA ASP A 101 18.291 4.958 7.194 1.00 0.00 C ATOM 1613 C ASP A 101 17.454 4.159 6.199 1.00 0.00 C ATOM 1614 O ASP A 101 16.416 4.626 5.729 1.00 0.00 O ATOM 1615 CB ASP A 101 18.258 4.282 8.565 1.00 0.00 C ATOM 1616 CG ASP A 101 19.076 5.030 9.599 1.00 0.00 C ATOM 1617 OD1 ASP A 101 20.295 4.775 9.691 1.00 0.00 O ATOM 1618 OD2 ASP A 101 18.497 5.873 10.317 1.00 0.00 O ATOM 0 H ASP A 101 17.001 6.449 7.905 1.00 0.00 H new ATOM 0 HA ASP A 101 19.320 4.986 6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.225 4.209 8.906 1.00 0.00 H new ATOM 0 HB3 ASP A 101 18.636 3.264 8.474 1.00 0.00 H new ATOM 1623 N PHE A 102 17.913 2.953 5.882 1.00 0.00 N ATOM 1624 CA PHE A 102 17.208 2.090 4.942 1.00 0.00 C ATOM 1625 C PHE A 102 17.512 0.620 5.218 1.00 0.00 C ATOM 1626 O PHE A 102 18.571 0.267 5.737 1.00 0.00 O ATOM 1627 CB PHE A 102 17.597 2.441 3.504 1.00 0.00 C ATOM 1628 CG PHE A 102 17.786 3.913 3.277 1.00 0.00 C ATOM 1629 CD1 PHE A 102 18.941 4.551 3.703 1.00 0.00 C ATOM 1630 CD2 PHE A 102 16.810 4.661 2.637 1.00 0.00 C ATOM 1631 CE1 PHE A 102 19.117 5.906 3.495 1.00 0.00 C ATOM 1632 CE2 PHE A 102 16.981 6.016 2.427 1.00 0.00 C ATOM 1633 CZ PHE A 102 18.137 6.639 2.856 1.00 0.00 C ATOM 0 H PHE A 102 18.770 2.551 6.262 1.00 0.00 H new ATOM 0 HA PHE A 102 16.138 2.252 5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 102 18.520 1.921 3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 102 16.826 2.073 2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 102 19.712 3.983 4.203 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.905 4.179 2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 102 20.021 6.391 3.832 1.00 0.00 H new ATOM 0 HE2 PHE A 102 16.212 6.587 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 102 18.274 7.698 2.692 1.00 0.00 H new ATOM 1643 N PRO A 103 16.561 -0.257 4.865 1.00 0.00 N ATOM 1644 CA PRO A 103 15.296 0.152 4.248 1.00 0.00 C ATOM 1645 C PRO A 103 14.388 0.893 5.224 1.00 0.00 C ATOM 1646 O PRO A 103 14.706 1.023 6.406 1.00 0.00 O ATOM 1647 CB PRO A 103 14.660 -1.175 3.829 1.00 0.00 C ATOM 1648 CG PRO A 103 15.248 -2.186 4.752 1.00 0.00 C ATOM 1649 CD PRO A 103 16.647 -1.716 5.042 1.00 0.00 C ATOM 0 HA PRO A 103 15.451 0.846 3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.574 -1.140 3.920 1.00 0.00 H new ATOM 0 HB3 PRO A 103 14.885 -1.411 2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.664 -2.264 5.669 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.255 -3.175 4.294 1.00 0.00 H new ATOM 0 HD2 PRO A 103 16.958 -1.980 6.053 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.370 -2.162 4.359 1.00 0.00 H new ATOM 1657 N TYR A 104 13.257 1.376 4.721 1.00 0.00 N ATOM 1658 CA TYR A 104 12.304 2.106 5.549 1.00 0.00 C ATOM 1659 C TYR A 104 10.876 1.647 5.269 1.00 0.00 C ATOM 1660 O TYR A 104 10.437 1.610 4.120 1.00 0.00 O ATOM 1661 CB TYR A 104 12.426 3.610 5.298 1.00 0.00 C ATOM 1662 CG TYR A 104 11.937 4.458 6.451 1.00 0.00 C ATOM 1663 CD1 TYR A 104 12.795 4.827 7.480 1.00 0.00 C ATOM 1664 CD2 TYR A 104 10.618 4.890 6.511 1.00 0.00 C ATOM 1665 CE1 TYR A 104 12.353 5.600 8.536 1.00 0.00 C ATOM 1666 CE2 TYR A 104 10.168 5.665 7.563 1.00 0.00 C ATOM 1667 CZ TYR A 104 11.039 6.017 8.573 1.00 0.00 C ATOM 1668 OH TYR A 104 10.595 6.789 9.622 1.00 0.00 O ATOM 0 H TYR A 104 12.978 1.275 3.745 1.00 0.00 H new ATOM 0 HA TYR A 104 12.535 1.898 6.594 1.00 0.00 H new ATOM 0 HB2 TYR A 104 13.469 3.853 5.096 1.00 0.00 H new ATOM 0 HB3 TYR A 104 11.860 3.868 4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.825 4.504 7.454 1.00 0.00 H new ATOM 0 HD2 TYR A 104 9.933 4.616 5.722 1.00 0.00 H new ATOM 0 HE1 TYR A 104 13.033 5.876 9.328 1.00 0.00 H new ATOM 0 HE2 TYR A 104 9.140 5.993 7.594 1.00 0.00 H new ATOM 0 HH TYR A 104 9.646 6.998 9.495 1.00 0.00 H new ATOM 1678 N VAL A 105 10.156 1.296 6.330 1.00 0.00 N ATOM 1679 CA VAL A 105 8.777 0.841 6.201 1.00 0.00 C ATOM 1680 C VAL A 105 7.921 1.343 7.359 1.00 0.00 C ATOM 1681 O VAL A 105 8.309 1.236 8.522 1.00 0.00 O ATOM 1682 CB VAL A 105 8.697 -0.697 6.147 1.00 0.00 C ATOM 1683 CG1 VAL A 105 7.250 -1.153 6.038 1.00 0.00 C ATOM 1684 CG2 VAL A 105 9.523 -1.233 4.988 1.00 0.00 C ATOM 0 H VAL A 105 10.505 1.318 7.288 1.00 0.00 H new ATOM 0 HA VAL A 105 8.394 1.251 5.266 1.00 0.00 H new ATOM 0 HB VAL A 105 9.110 -1.098 7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.213 -2.242 6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.691 -0.800 6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.807 -0.744 5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 105 9.455 -2.321 4.965 1.00 0.00 H new ATOM 0 HG22 VAL A 105 9.143 -0.826 4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 105 10.564 -0.937 5.116 1.00 0.00 H new ATOM 1694 N SER A 106 6.756 1.891 7.031 1.00 0.00 N ATOM 1695 CA SER A 106 5.845 2.414 8.044 1.00 0.00 C ATOM 1696 C SER A 106 4.416 2.470 7.512 1.00 0.00 C ATOM 1697 O SER A 106 4.190 2.774 6.341 1.00 0.00 O ATOM 1698 CB SER A 106 6.291 3.808 8.490 1.00 0.00 C ATOM 1699 OG SER A 106 6.026 4.773 7.486 1.00 0.00 O ATOM 0 H SER A 106 6.420 1.985 6.073 1.00 0.00 H new ATOM 0 HA SER A 106 5.869 1.741 8.901 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.773 4.083 9.409 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.357 3.797 8.716 1.00 0.00 H new ATOM 0 HG SER A 106 6.318 5.656 7.795 1.00 0.00 H new ATOM 1705 N ILE A 107 3.456 2.175 8.383 1.00 0.00 N ATOM 1706 CA ILE A 107 2.049 2.192 8.002 1.00 0.00 C ATOM 1707 C ILE A 107 1.385 3.502 8.414 1.00 0.00 C ATOM 1708 O ILE A 107 1.180 3.760 9.601 1.00 0.00 O ATOM 1709 CB ILE A 107 1.280 1.018 8.636 1.00 0.00 C ATOM 1710 CG1 ILE A 107 1.875 -0.315 8.179 1.00 0.00 C ATOM 1711 CG2 ILE A 107 -0.196 1.097 8.276 1.00 0.00 C ATOM 1712 CD1 ILE A 107 1.444 -1.492 9.027 1.00 0.00 C ATOM 0 H ILE A 107 3.627 1.922 9.356 1.00 0.00 H new ATOM 0 HA ILE A 107 2.014 2.094 6.917 1.00 0.00 H new ATOM 0 HB ILE A 107 1.374 1.083 9.720 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.585 -0.497 7.144 1.00 0.00 H new ATOM 0 HG13 ILE A 107 2.962 -0.243 8.197 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.727 0.261 8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.611 2.035 8.646 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.309 1.052 7.193 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.904 -2.403 8.645 1.00 0.00 H new ATOM 0 HD12 ILE A 107 1.758 -1.332 10.058 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.359 -1.590 8.989 1.00 0.00 H new ATOM 1724 N LEU A 108 1.050 4.325 7.427 1.00 0.00 N ATOM 1725 CA LEU A 108 0.406 5.608 7.685 1.00 0.00 C ATOM 1726 C LEU A 108 -1.095 5.526 7.426 1.00 0.00 C ATOM 1727 O LEU A 108 -1.553 4.714 6.622 1.00 0.00 O ATOM 1728 CB LEU A 108 1.028 6.698 6.811 1.00 0.00 C ATOM 1729 CG LEU A 108 0.918 8.128 7.341 1.00 0.00 C ATOM 1730 CD1 LEU A 108 2.085 8.446 8.263 1.00 0.00 C ATOM 1731 CD2 LEU A 108 0.860 9.121 6.190 1.00 0.00 C ATOM 0 H LEU A 108 1.214 4.127 6.440 1.00 0.00 H new ATOM 0 HA LEU A 108 0.561 5.860 8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.083 6.464 6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.559 6.659 5.828 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.005 8.213 7.914 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.990 9.468 8.631 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.081 7.755 9.106 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.021 8.343 7.714 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.782 10.133 6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.766 9.035 5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.009 8.907 5.568 1.00 0.00 H new ATOM 1743 N ASP A 109 -1.855 6.374 8.110 1.00 0.00 N ATOM 1744 CA ASP A 109 -3.305 6.400 7.952 1.00 0.00 C ATOM 1745 C ASP A 109 -3.721 7.461 6.937 1.00 0.00 C ATOM 1746 O ASP A 109 -3.398 8.641 7.069 1.00 0.00 O ATOM 1747 CB ASP A 109 -3.981 6.669 9.296 1.00 0.00 C ATOM 1748 CG ASP A 109 -5.459 6.333 9.279 1.00 0.00 C ATOM 1749 OD1 ASP A 109 -6.086 6.472 8.208 1.00 0.00 O ATOM 1750 OD2 ASP A 109 -5.990 5.931 10.336 1.00 0.00 O ATOM 0 H ASP A 109 -1.491 7.053 8.779 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.624 5.425 7.583 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.487 6.083 10.071 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.853 7.719 9.560 1.00 0.00 H new ATOM 1755 N PRO A 110 -4.455 7.032 5.900 1.00 0.00 N ATOM 1756 CA PRO A 110 -4.931 7.929 4.842 1.00 0.00 C ATOM 1757 C PRO A 110 -6.010 8.886 5.336 1.00 0.00 C ATOM 1758 O PRO A 110 -6.328 9.874 4.674 1.00 0.00 O ATOM 1759 CB PRO A 110 -5.505 6.970 3.796 1.00 0.00 C ATOM 1760 CG PRO A 110 -5.881 5.751 4.565 1.00 0.00 C ATOM 1761 CD PRO A 110 -4.877 5.638 5.679 1.00 0.00 C ATOM 0 HA PRO A 110 -4.135 8.570 4.462 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.370 7.404 3.294 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.770 6.740 3.024 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.894 5.835 4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.859 4.866 3.929 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.319 5.205 6.576 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.036 5.003 5.400 1.00 0.00 H new ATOM 1769 N ARG A 111 -6.570 8.587 6.504 1.00 0.00 N ATOM 1770 CA ARG A 111 -7.615 9.421 7.086 1.00 0.00 C ATOM 1771 C ARG A 111 -7.013 10.638 7.784 1.00 0.00 C ATOM 1772 O ARG A 111 -7.345 11.779 7.462 1.00 0.00 O ATOM 1773 CB ARG A 111 -8.450 8.611 8.079 1.00 0.00 C ATOM 1774 CG ARG A 111 -9.569 7.815 7.428 1.00 0.00 C ATOM 1775 CD ARG A 111 -10.697 7.536 8.408 1.00 0.00 C ATOM 1776 NE ARG A 111 -10.397 6.403 9.279 1.00 0.00 N ATOM 1777 CZ ARG A 111 -10.914 6.253 10.494 1.00 0.00 C ATOM 1778 NH1 ARG A 111 -11.753 7.158 10.977 1.00 0.00 N ATOM 1779 NH2 ARG A 111 -10.593 5.194 11.226 1.00 0.00 N ATOM 0 H ARG A 111 -6.318 7.774 7.066 1.00 0.00 H new ATOM 0 HA ARG A 111 -8.260 9.768 6.279 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -7.795 7.927 8.618 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -8.880 9.289 8.817 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -9.958 8.365 6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.174 6.873 7.049 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -10.877 8.423 9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -11.615 7.336 7.856 1.00 0.00 H new ATOM 0 HE ARG A 111 -9.756 5.688 8.936 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -12.003 7.972 10.416 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -12.148 7.040 11.910 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -9.949 4.495 10.856 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -10.990 5.079 12.159 1.00 0.00 H new ATOM 1793 N THR A 112 -6.127 10.386 8.742 1.00 0.00 N ATOM 1794 CA THR A 112 -5.480 11.459 9.487 1.00 0.00 C ATOM 1795 C THR A 112 -4.098 11.765 8.921 1.00 0.00 C ATOM 1796 O THR A 112 -3.738 12.926 8.732 1.00 0.00 O ATOM 1797 CB THR A 112 -5.344 11.104 10.980 1.00 0.00 C ATOM 1798 OG1 THR A 112 -4.479 9.974 11.138 1.00 0.00 O ATOM 1799 CG2 THR A 112 -6.704 10.797 11.589 1.00 0.00 C ATOM 0 H THR A 112 -5.841 9.447 9.021 1.00 0.00 H new ATOM 0 HA THR A 112 -6.114 12.340 9.387 1.00 0.00 H new ATOM 0 HB THR A 112 -4.917 11.963 11.498 1.00 0.00 H new ATOM 0 HG1 THR A 112 -4.396 9.756 12.090 1.00 0.00 H new ATOM 0 HG21 THR A 112 -6.583 10.549 12.644 1.00 0.00 H new ATOM 0 HG22 THR A 112 -7.351 11.669 11.493 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.154 9.952 11.067 1.00 0.00 H new ATOM 1807 N GLY A 113 -3.328 10.716 8.653 1.00 0.00 N ATOM 1808 CA GLY A 113 -1.993 10.894 8.110 1.00 0.00 C ATOM 1809 C GLY A 113 -0.923 10.870 9.184 1.00 0.00 C ATOM 1810 O GLY A 113 0.068 11.595 9.097 1.00 0.00 O ATOM 0 H GLY A 113 -3.604 9.745 8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.792 10.107 7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.945 11.842 7.575 1.00 0.00 H new ATOM 1814 N GLN A 114 -1.124 10.036 10.199 1.00 0.00 N ATOM 1815 CA GLN A 114 -0.169 9.923 11.295 1.00 0.00 C ATOM 1816 C GLN A 114 0.453 8.531 11.333 1.00 0.00 C ATOM 1817 O GLN A 114 -0.204 7.537 11.022 1.00 0.00 O ATOM 1818 CB GLN A 114 -0.853 10.226 12.629 1.00 0.00 C ATOM 1819 CG GLN A 114 -0.035 9.810 13.840 1.00 0.00 C ATOM 1820 CD GLN A 114 -0.318 10.667 15.058 1.00 0.00 C ATOM 1821 OE1 GLN A 114 -1.155 11.570 15.015 1.00 0.00 O ATOM 1822 NE2 GLN A 114 0.381 10.390 16.153 1.00 0.00 N ATOM 0 H GLN A 114 -1.939 9.429 10.285 1.00 0.00 H new ATOM 0 HA GLN A 114 0.625 10.651 11.129 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -1.057 11.295 12.689 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -1.816 9.716 12.658 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -0.248 8.768 14.077 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.026 9.871 13.596 1.00 0.00 H new ATOM 0 HE21 GLN A 114 1.064 9.633 16.144 1.00 0.00 H new ATOM 0 HE22 GLN A 114 0.234 10.934 17.003 1.00 0.00 H new ATOM 1831 N LYS A 115 1.724 8.466 11.716 1.00 0.00 N ATOM 1832 CA LYS A 115 2.436 7.196 11.796 1.00 0.00 C ATOM 1833 C LYS A 115 1.928 6.361 12.967 1.00 0.00 C ATOM 1834 O LYS A 115 2.044 6.763 14.126 1.00 0.00 O ATOM 1835 CB LYS A 115 3.939 7.440 11.943 1.00 0.00 C ATOM 1836 CG LYS A 115 4.792 6.269 11.488 1.00 0.00 C ATOM 1837 CD LYS A 115 6.104 6.204 12.252 1.00 0.00 C ATOM 1838 CE LYS A 115 5.892 5.737 13.684 1.00 0.00 C ATOM 1839 NZ LYS A 115 7.002 6.169 14.578 1.00 0.00 N ATOM 0 H LYS A 115 2.282 9.279 11.976 1.00 0.00 H new ATOM 0 HA LYS A 115 2.252 6.645 10.874 1.00 0.00 H new ATOM 0 HB2 LYS A 115 4.213 8.324 11.367 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.163 7.658 12.987 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.241 5.339 11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 115 4.995 6.359 10.421 1.00 0.00 H new ATOM 0 HD2 LYS A 115 6.789 5.525 11.744 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.574 7.187 12.255 1.00 0.00 H new ATOM 0 HE2 LYS A 115 4.948 6.133 14.059 1.00 0.00 H new ATOM 0 HE3 LYS A 115 5.812 4.650 13.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.223 5.407 15.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.845 6.382 14.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.715 7.020 15.102 1.00 0.00 H new ATOM 1853 N LEU A 116 1.366 5.198 12.658 1.00 0.00 N ATOM 1854 CA LEU A 116 0.842 4.305 13.685 1.00 0.00 C ATOM 1855 C LEU A 116 1.890 3.277 14.100 1.00 0.00 C ATOM 1856 O LEU A 116 2.076 3.009 15.287 1.00 0.00 O ATOM 1857 CB LEU A 116 -0.414 3.593 13.178 1.00 0.00 C ATOM 1858 CG LEU A 116 -1.470 4.482 12.521 1.00 0.00 C ATOM 1859 CD1 LEU A 116 -2.622 3.642 11.992 1.00 0.00 C ATOM 1860 CD2 LEU A 116 -1.978 5.525 13.506 1.00 0.00 C ATOM 0 H LEU A 116 1.261 4.851 11.704 1.00 0.00 H new ATOM 0 HA LEU A 116 0.585 4.907 14.557 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.111 2.832 12.459 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.876 3.073 14.017 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.008 4.999 11.680 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.363 4.292 11.528 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.247 2.934 11.253 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.083 3.096 12.816 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.729 6.149 13.021 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.422 5.026 14.367 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.147 6.148 13.836 1.00 0.00 H new ATOM 1872 N VAL A 117 2.574 2.706 13.114 1.00 0.00 N ATOM 1873 CA VAL A 117 3.606 1.710 13.376 1.00 0.00 C ATOM 1874 C VAL A 117 4.864 1.996 12.564 1.00 0.00 C ATOM 1875 O VAL A 117 4.820 2.715 11.566 1.00 0.00 O ATOM 1876 CB VAL A 117 3.110 0.289 13.051 1.00 0.00 C ATOM 1877 CG1 VAL A 117 1.800 0.003 13.769 1.00 0.00 C ATOM 1878 CG2 VAL A 117 2.954 0.110 11.548 1.00 0.00 C ATOM 0 H VAL A 117 2.432 2.916 12.126 1.00 0.00 H new ATOM 0 HA VAL A 117 3.842 1.770 14.439 1.00 0.00 H new ATOM 0 HB VAL A 117 3.853 -0.426 13.404 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.465 -1.006 13.527 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.949 0.087 14.845 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.046 0.722 13.450 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.603 -0.900 11.336 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.231 0.832 11.169 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.916 0.269 11.061 1.00 0.00 H new ATOM 1888 N GLU A 118 5.985 1.428 12.999 1.00 0.00 N ATOM 1889 CA GLU A 118 7.256 1.623 12.311 1.00 0.00 C ATOM 1890 C GLU A 118 8.080 0.338 12.318 1.00 0.00 C ATOM 1891 O GLU A 118 8.410 -0.194 13.378 1.00 0.00 O ATOM 1892 CB GLU A 118 8.049 2.754 12.969 1.00 0.00 C ATOM 1893 CG GLU A 118 8.450 2.461 14.405 1.00 0.00 C ATOM 1894 CD GLU A 118 9.138 3.638 15.070 1.00 0.00 C ATOM 1895 OE1 GLU A 118 10.167 4.101 14.537 1.00 0.00 O ATOM 1896 OE2 GLU A 118 8.647 4.094 16.124 1.00 0.00 O ATOM 0 H GLU A 118 6.039 0.830 13.824 1.00 0.00 H new ATOM 0 HA GLU A 118 7.043 1.893 11.277 1.00 0.00 H new ATOM 0 HB2 GLU A 118 8.947 2.946 12.382 1.00 0.00 H new ATOM 0 HB3 GLU A 118 7.452 3.666 12.946 1.00 0.00 H new ATOM 0 HG2 GLU A 118 7.563 2.192 14.978 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.115 1.598 14.424 1.00 0.00 H new ATOM 1903 N TRP A 119 8.408 -0.153 11.129 1.00 0.00 N ATOM 1904 CA TRP A 119 9.193 -1.375 10.997 1.00 0.00 C ATOM 1905 C TRP A 119 10.445 -1.130 10.161 1.00 0.00 C ATOM 1906 O TRP A 119 10.358 -0.820 8.972 1.00 0.00 O ATOM 1907 CB TRP A 119 8.349 -2.482 10.362 1.00 0.00 C ATOM 1908 CG TRP A 119 7.126 -2.825 11.157 1.00 0.00 C ATOM 1909 CD1 TRP A 119 7.032 -2.924 12.516 1.00 0.00 C ATOM 1910 CD2 TRP A 119 5.822 -3.116 10.641 1.00 0.00 C ATOM 1911 NE1 TRP A 119 5.749 -3.259 12.875 1.00 0.00 N ATOM 1912 CE2 TRP A 119 4.987 -3.382 11.743 1.00 0.00 C ATOM 1913 CE3 TRP A 119 5.279 -3.175 9.355 1.00 0.00 C ATOM 1914 CZ2 TRP A 119 3.640 -3.703 11.596 1.00 0.00 C ATOM 1915 CZ3 TRP A 119 3.942 -3.495 9.210 1.00 0.00 C ATOM 1916 CH2 TRP A 119 3.135 -3.754 10.326 1.00 0.00 C ATOM 0 H TRP A 119 8.143 0.276 10.242 1.00 0.00 H new ATOM 0 HA TRP A 119 9.501 -1.689 11.994 1.00 0.00 H new ATOM 0 HB2 TRP A 119 8.048 -2.171 9.361 1.00 0.00 H new ATOM 0 HB3 TRP A 119 8.962 -3.376 10.247 1.00 0.00 H new ATOM 0 HD1 TRP A 119 7.846 -2.763 13.207 1.00 0.00 H new ATOM 0 HE1 TRP A 119 5.417 -3.394 13.830 1.00 0.00 H new ATOM 0 HE3 TRP A 119 5.893 -2.974 8.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.016 -3.905 12.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.512 -3.546 8.220 1.00 0.00 H new ATOM 0 HH2 TRP A 119 2.093 -3.999 10.180 1.00 0.00 H new ATOM 1927 N HIS A 120 11.608 -1.273 10.788 1.00 0.00 N ATOM 1928 CA HIS A 120 12.878 -1.068 10.101 1.00 0.00 C ATOM 1929 C HIS A 120 13.114 -2.158 9.060 1.00 0.00 C ATOM 1930 O HIS A 120 13.353 -1.869 7.888 1.00 0.00 O ATOM 1931 CB HIS A 120 14.029 -1.048 11.106 1.00 0.00 C ATOM 1932 CG HIS A 120 15.235 -0.303 10.622 1.00 0.00 C ATOM 1933 ND1 HIS A 120 15.173 0.971 10.100 1.00 0.00 N ATOM 1934 CD2 HIS A 120 16.540 -0.661 10.583 1.00 0.00 C ATOM 1935 CE1 HIS A 120 16.387 1.365 9.760 1.00 0.00 C ATOM 1936 NE2 HIS A 120 17.235 0.393 10.043 1.00 0.00 N ATOM 0 H HIS A 120 11.697 -1.530 11.771 1.00 0.00 H new ATOM 0 HA HIS A 120 12.836 -0.106 9.591 1.00 0.00 H new ATOM 0 HB2 HIS A 120 13.681 -0.596 12.035 1.00 0.00 H new ATOM 0 HB3 HIS A 120 14.315 -2.074 11.339 1.00 0.00 H new ATOM 0 HD2 HIS A 120 16.957 -1.600 10.915 1.00 0.00 H new ATOM 0 HE1 HIS A 120 16.643 2.320 9.325 1.00 0.00 H new ATOM 0 HE2 HIS A 120 18.242 0.421 9.886 1.00 0.00 H new ATOM 1945 N GLN A 121 13.047 -3.412 9.498 1.00 0.00 N ATOM 1946 CA GLN A 121 13.256 -4.545 8.604 1.00 0.00 C ATOM 1947 C GLN A 121 12.132 -5.565 8.748 1.00 0.00 C ATOM 1948 O GLN A 121 11.626 -5.798 9.847 1.00 0.00 O ATOM 1949 CB GLN A 121 14.603 -5.208 8.894 1.00 0.00 C ATOM 1950 CG GLN A 121 14.813 -6.512 8.141 1.00 0.00 C ATOM 1951 CD GLN A 121 16.280 -6.846 7.950 1.00 0.00 C ATOM 1952 OE1 GLN A 121 16.944 -6.295 7.073 1.00 0.00 O ATOM 1953 NE2 GLN A 121 16.793 -7.753 8.773 1.00 0.00 N ATOM 0 H GLN A 121 12.850 -3.668 10.465 1.00 0.00 H new ATOM 0 HA GLN A 121 13.256 -4.173 7.579 1.00 0.00 H new ATOM 0 HB2 GLN A 121 15.403 -4.515 8.634 1.00 0.00 H new ATOM 0 HB3 GLN A 121 14.682 -5.399 9.964 1.00 0.00 H new ATOM 0 HG2 GLN A 121 14.327 -7.323 8.684 1.00 0.00 H new ATOM 0 HG3 GLN A 121 14.329 -6.446 7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 121 16.205 -8.185 9.486 1.00 0.00 H new ATOM 0 HE22 GLN A 121 17.775 -8.018 8.692 1.00 0.00 H new ATOM 1962 N LEU A 122 11.744 -6.172 7.631 1.00 0.00 N ATOM 1963 CA LEU A 122 10.679 -7.169 7.632 1.00 0.00 C ATOM 1964 C LEU A 122 11.087 -8.403 6.835 1.00 0.00 C ATOM 1965 O LEU A 122 12.017 -8.354 6.030 1.00 0.00 O ATOM 1966 CB LEU A 122 9.396 -6.573 7.050 1.00 0.00 C ATOM 1967 CG LEU A 122 8.818 -5.368 7.793 1.00 0.00 C ATOM 1968 CD1 LEU A 122 8.013 -4.492 6.846 1.00 0.00 C ATOM 1969 CD2 LEU A 122 7.957 -5.825 8.962 1.00 0.00 C ATOM 0 H LEU A 122 12.151 -5.991 6.713 1.00 0.00 H new ATOM 0 HA LEU A 122 10.498 -7.470 8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 122 9.591 -6.279 6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 122 8.637 -7.355 7.021 1.00 0.00 H new ATOM 0 HG LEU A 122 9.645 -4.777 8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 122 7.610 -3.640 7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 122 8.658 -4.136 6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 122 7.193 -5.072 6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.554 -4.954 9.479 1.00 0.00 H new ATOM 0 HD22 LEU A 122 7.136 -6.439 8.591 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.563 -6.410 9.654 1.00 0.00 H new ATOM 1981 N ASP A 123 10.385 -9.507 7.063 1.00 0.00 N ATOM 1982 CA ASP A 123 10.672 -10.754 6.363 1.00 0.00 C ATOM 1983 C ASP A 123 9.384 -11.423 5.893 1.00 0.00 C ATOM 1984 O ASP A 123 8.286 -11.021 6.281 1.00 0.00 O ATOM 1985 CB ASP A 123 11.453 -11.705 7.271 1.00 0.00 C ATOM 1986 CG ASP A 123 12.532 -10.994 8.063 1.00 0.00 C ATOM 1987 OD1 ASP A 123 13.123 -10.033 7.529 1.00 0.00 O ATOM 1988 OD2 ASP A 123 12.787 -11.400 9.216 1.00 0.00 O ATOM 0 H ASP A 123 9.613 -9.564 7.727 1.00 0.00 H new ATOM 0 HA ASP A 123 11.278 -10.519 5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 123 10.763 -12.193 7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 123 11.908 -12.489 6.666 1.00 0.00 H new ATOM 1993 N VAL A 124 9.525 -12.444 5.055 1.00 0.00 N ATOM 1994 CA VAL A 124 8.373 -13.169 4.531 1.00 0.00 C ATOM 1995 C VAL A 124 7.509 -13.717 5.662 1.00 0.00 C ATOM 1996 O VAL A 124 6.282 -13.625 5.619 1.00 0.00 O ATOM 1997 CB VAL A 124 8.808 -14.333 3.622 1.00 0.00 C ATOM 1998 CG1 VAL A 124 7.595 -15.113 3.135 1.00 0.00 C ATOM 1999 CG2 VAL A 124 9.625 -13.815 2.448 1.00 0.00 C ATOM 0 H VAL A 124 10.426 -12.789 4.724 1.00 0.00 H new ATOM 0 HA VAL A 124 7.791 -12.458 3.944 1.00 0.00 H new ATOM 0 HB VAL A 124 9.436 -15.009 4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 124 7.922 -15.932 2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 124 7.054 -15.516 3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 124 6.939 -14.450 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 124 9.924 -14.651 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 124 9.023 -13.117 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 124 10.514 -13.305 2.820 1.00 0.00 H new ATOM 2009 N SER A 125 8.157 -14.286 6.672 1.00 0.00 N ATOM 2010 CA SER A 125 7.448 -14.853 7.814 1.00 0.00 C ATOM 2011 C SER A 125 7.066 -13.763 8.811 1.00 0.00 C ATOM 2012 O SER A 125 5.889 -13.570 9.116 1.00 0.00 O ATOM 2013 CB SER A 125 8.310 -15.911 8.503 1.00 0.00 C ATOM 2014 OG SER A 125 7.511 -16.817 9.244 1.00 0.00 O ATOM 0 H SER A 125 9.172 -14.367 6.724 1.00 0.00 H new ATOM 0 HA SER A 125 6.535 -15.322 7.447 1.00 0.00 H new ATOM 0 HB2 SER A 125 8.887 -16.457 7.757 1.00 0.00 H new ATOM 0 HB3 SER A 125 9.026 -15.426 9.167 1.00 0.00 H new ATOM 0 HG SER A 125 8.086 -17.484 9.673 1.00 0.00 H new ATOM 2020 N SER A 126 8.070 -13.053 9.315 1.00 0.00 N ATOM 2021 CA SER A 126 7.841 -11.985 10.281 1.00 0.00 C ATOM 2022 C SER A 126 6.762 -11.027 9.787 1.00 0.00 C ATOM 2023 O SER A 126 5.773 -10.778 10.477 1.00 0.00 O ATOM 2024 CB SER A 126 9.139 -11.218 10.542 1.00 0.00 C ATOM 2025 OG SER A 126 9.002 -10.346 11.650 1.00 0.00 O ATOM 0 H SER A 126 9.050 -13.198 9.071 1.00 0.00 H new ATOM 0 HA SER A 126 7.501 -12.438 11.212 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.950 -11.922 10.728 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.411 -10.645 9.656 1.00 0.00 H new ATOM 0 HG SER A 126 9.845 -9.869 11.797 1.00 0.00 H new ATOM 2031 N PHE A 127 6.959 -10.492 8.586 1.00 0.00 N ATOM 2032 CA PHE A 127 6.004 -9.560 7.998 1.00 0.00 C ATOM 2033 C PHE A 127 4.571 -10.025 8.240 1.00 0.00 C ATOM 2034 O PHE A 127 3.772 -9.318 8.854 1.00 0.00 O ATOM 2035 CB PHE A 127 6.259 -9.416 6.496 1.00 0.00 C ATOM 2036 CG PHE A 127 5.332 -8.446 5.821 1.00 0.00 C ATOM 2037 CD1 PHE A 127 5.484 -7.081 6.002 1.00 0.00 C ATOM 2038 CD2 PHE A 127 4.307 -8.900 5.007 1.00 0.00 C ATOM 2039 CE1 PHE A 127 4.633 -6.186 5.382 1.00 0.00 C ATOM 2040 CE2 PHE A 127 3.453 -8.010 4.384 1.00 0.00 C ATOM 2041 CZ PHE A 127 3.615 -6.651 4.573 1.00 0.00 C ATOM 0 H PHE A 127 7.771 -10.688 8.001 1.00 0.00 H new ATOM 0 HA PHE A 127 6.138 -8.590 8.477 1.00 0.00 H new ATOM 0 HB2 PHE A 127 7.288 -9.092 6.340 1.00 0.00 H new ATOM 0 HB3 PHE A 127 6.157 -10.393 6.023 1.00 0.00 H new ATOM 0 HD1 PHE A 127 6.277 -6.712 6.635 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.174 -9.961 4.858 1.00 0.00 H new ATOM 0 HE1 PHE A 127 4.764 -5.124 5.530 1.00 0.00 H new ATOM 0 HE2 PHE A 127 2.659 -8.377 3.750 1.00 0.00 H new ATOM 0 HZ PHE A 127 2.947 -5.954 4.089 1.00 0.00 H new ATOM 2051 N LEU A 128 4.253 -11.220 7.752 1.00 0.00 N ATOM 2052 CA LEU A 128 2.917 -11.781 7.914 1.00 0.00 C ATOM 2053 C LEU A 128 2.480 -11.735 9.375 1.00 0.00 C ATOM 2054 O LEU A 128 1.462 -11.129 9.710 1.00 0.00 O ATOM 2055 CB LEU A 128 2.882 -13.222 7.404 1.00 0.00 C ATOM 2056 CG LEU A 128 3.145 -13.412 5.910 1.00 0.00 C ATOM 2057 CD1 LEU A 128 3.296 -14.889 5.578 1.00 0.00 C ATOM 2058 CD2 LEU A 128 2.024 -12.791 5.088 1.00 0.00 C ATOM 0 H LEU A 128 4.902 -11.818 7.241 1.00 0.00 H new ATOM 0 HA LEU A 128 2.223 -11.178 7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 128 3.621 -13.801 7.959 1.00 0.00 H new ATOM 0 HB3 LEU A 128 1.905 -13.645 7.637 1.00 0.00 H new ATOM 0 HG LEU A 128 4.077 -12.907 5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 128 3.483 -15.005 4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 128 4.133 -15.305 6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 128 2.381 -15.417 5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 128 2.228 -12.936 4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 128 1.078 -13.268 5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 128 1.963 -11.724 5.304 1.00 0.00 H new ATOM 2070 N ASP A 129 3.257 -12.378 10.239 1.00 0.00 N ATOM 2071 CA ASP A 129 2.953 -12.409 11.665 1.00 0.00 C ATOM 2072 C ASP A 129 2.509 -11.034 12.156 1.00 0.00 C ATOM 2073 O ASP A 129 1.513 -10.912 12.868 1.00 0.00 O ATOM 2074 CB ASP A 129 4.174 -12.877 12.459 1.00 0.00 C ATOM 2075 CG ASP A 129 3.836 -13.207 13.900 1.00 0.00 C ATOM 2076 OD1 ASP A 129 3.030 -14.135 14.123 1.00 0.00 O ATOM 2077 OD2 ASP A 129 4.377 -12.537 14.804 1.00 0.00 O ATOM 0 H ASP A 129 4.102 -12.885 9.977 1.00 0.00 H new ATOM 0 HA ASP A 129 2.136 -13.113 11.822 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.601 -13.757 11.978 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.938 -12.100 12.437 1.00 0.00 H new ATOM 2082 N GLN A 130 3.254 -10.004 11.769 1.00 0.00 N ATOM 2083 CA GLN A 130 2.937 -8.639 12.172 1.00 0.00 C ATOM 2084 C GLN A 130 1.660 -8.155 11.494 1.00 0.00 C ATOM 2085 O GLN A 130 0.677 -7.827 12.160 1.00 0.00 O ATOM 2086 CB GLN A 130 4.097 -7.702 11.830 1.00 0.00 C ATOM 2087 CG GLN A 130 5.308 -7.878 12.732 1.00 0.00 C ATOM 2088 CD GLN A 130 6.189 -6.645 12.774 1.00 0.00 C ATOM 2089 OE1 GLN A 130 6.879 -6.328 11.805 1.00 0.00 O ATOM 2090 NE2 GLN A 130 6.170 -5.942 13.900 1.00 0.00 N ATOM 0 H GLN A 130 4.081 -10.088 11.177 1.00 0.00 H new ATOM 0 HA GLN A 130 2.779 -8.632 13.251 1.00 0.00 H new ATOM 0 HB2 GLN A 130 4.397 -7.871 10.796 1.00 0.00 H new ATOM 0 HB3 GLN A 130 3.752 -6.670 11.897 1.00 0.00 H new ATOM 0 HG2 GLN A 130 4.973 -8.115 13.742 1.00 0.00 H new ATOM 0 HG3 GLN A 130 5.895 -8.728 12.384 1.00 0.00 H new ATOM 0 HE21 GLN A 130 5.583 -6.242 14.678 1.00 0.00 H new ATOM 0 HE22 GLN A 130 6.743 -5.102 13.987 1.00 0.00 H new ATOM 2099 N VAL A 131 1.680 -8.111 10.166 1.00 0.00 N ATOM 2100 CA VAL A 131 0.523 -7.667 9.398 1.00 0.00 C ATOM 2101 C VAL A 131 -0.759 -8.310 9.914 1.00 0.00 C ATOM 2102 O VAL A 131 -1.689 -7.619 10.332 1.00 0.00 O ATOM 2103 CB VAL A 131 0.683 -7.996 7.901 1.00 0.00 C ATOM 2104 CG1 VAL A 131 -0.572 -7.611 7.133 1.00 0.00 C ATOM 2105 CG2 VAL A 131 1.905 -7.294 7.330 1.00 0.00 C ATOM 0 H VAL A 131 2.485 -8.378 9.599 1.00 0.00 H new ATOM 0 HA VAL A 131 0.458 -6.586 9.520 1.00 0.00 H new ATOM 0 HB VAL A 131 0.828 -9.071 7.796 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.441 -7.851 6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -1.424 -8.165 7.527 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.752 -6.542 7.243 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.003 -7.537 6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 131 1.792 -6.216 7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.797 -7.625 7.863 1.00 0.00 H new ATOM 2115 N THR A 132 -0.802 -9.638 9.883 1.00 0.00 N ATOM 2116 CA THR A 132 -1.970 -10.376 10.348 1.00 0.00 C ATOM 2117 C THR A 132 -2.405 -9.904 11.730 1.00 0.00 C ATOM 2118 O THR A 132 -3.589 -9.685 11.979 1.00 0.00 O ATOM 2119 CB THR A 132 -1.695 -11.891 10.397 1.00 0.00 C ATOM 2120 OG1 THR A 132 -0.644 -12.167 11.330 1.00 0.00 O ATOM 2121 CG2 THR A 132 -1.311 -12.416 9.022 1.00 0.00 C ATOM 0 H THR A 132 -0.041 -10.225 9.541 1.00 0.00 H new ATOM 0 HA THR A 132 -2.770 -10.183 9.634 1.00 0.00 H new ATOM 0 HB THR A 132 -2.607 -12.394 10.718 1.00 0.00 H new ATOM 0 HG1 THR A 132 0.212 -11.875 10.954 1.00 0.00 H new ATOM 0 HG21 THR A 132 -1.122 -13.488 9.082 1.00 0.00 H new ATOM 0 HG22 THR A 132 -2.125 -12.230 8.321 1.00 0.00 H new ATOM 0 HG23 THR A 132 -0.411 -11.907 8.677 1.00 0.00 H new ATOM 2129 N GLY A 133 -1.437 -9.749 12.629 1.00 0.00 N ATOM 2130 CA GLY A 133 -1.740 -9.303 13.976 1.00 0.00 C ATOM 2131 C GLY A 133 -2.300 -7.895 14.009 1.00 0.00 C ATOM 2132 O GLY A 133 -3.243 -7.611 14.748 1.00 0.00 O ATOM 0 H GLY A 133 -0.449 -9.924 12.448 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.458 -9.987 14.429 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.835 -9.345 14.581 1.00 0.00 H new ATOM 2136 N PHE A 134 -1.718 -7.009 13.207 1.00 0.00 N ATOM 2137 CA PHE A 134 -2.163 -5.622 13.149 1.00 0.00 C ATOM 2138 C PHE A 134 -3.628 -5.538 12.730 1.00 0.00 C ATOM 2139 O PHE A 134 -4.455 -4.958 13.435 1.00 0.00 O ATOM 2140 CB PHE A 134 -1.295 -4.826 12.172 1.00 0.00 C ATOM 2141 CG PHE A 134 -1.850 -3.469 11.846 1.00 0.00 C ATOM 2142 CD1 PHE A 134 -2.727 -3.301 10.786 1.00 0.00 C ATOM 2143 CD2 PHE A 134 -1.495 -2.362 12.599 1.00 0.00 C ATOM 2144 CE1 PHE A 134 -3.238 -2.054 10.483 1.00 0.00 C ATOM 2145 CE2 PHE A 134 -2.004 -1.111 12.301 1.00 0.00 C ATOM 2146 CZ PHE A 134 -2.877 -0.957 11.242 1.00 0.00 C ATOM 0 H PHE A 134 -0.937 -7.227 12.588 1.00 0.00 H new ATOM 0 HA PHE A 134 -2.063 -5.193 14.146 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -0.298 -4.710 12.596 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -1.184 -5.396 11.249 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -3.014 -4.155 10.190 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -0.813 -2.477 13.428 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -3.919 -1.936 9.653 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -1.719 -0.256 12.896 1.00 0.00 H new ATOM 0 HZ PHE A 134 -3.277 0.019 11.008 1.00 0.00 H new ATOM 2156 N LEU A 135 -3.942 -6.121 11.578 1.00 0.00 N ATOM 2157 CA LEU A 135 -5.307 -6.112 11.064 1.00 0.00 C ATOM 2158 C LEU A 135 -6.272 -6.727 12.071 1.00 0.00 C ATOM 2159 O LEU A 135 -7.306 -6.143 12.393 1.00 0.00 O ATOM 2160 CB LEU A 135 -5.378 -6.875 9.740 1.00 0.00 C ATOM 2161 CG LEU A 135 -4.523 -6.323 8.599 1.00 0.00 C ATOM 2162 CD1 LEU A 135 -4.355 -7.365 7.505 1.00 0.00 C ATOM 2163 CD2 LEU A 135 -5.140 -5.051 8.037 1.00 0.00 C ATOM 0 H LEU A 135 -3.270 -6.606 10.983 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.599 -5.076 10.896 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -5.081 -7.908 9.923 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.417 -6.896 9.411 1.00 0.00 H new ATOM 0 HG LEU A 135 -3.537 -6.080 8.995 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.744 -6.954 6.702 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -3.867 -8.249 7.916 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -5.333 -7.641 7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -4.518 -4.672 7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -6.139 -5.268 7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -5.206 -4.300 8.824 1.00 0.00 H new ATOM 2175 N GLY A 136 -5.927 -7.911 12.569 1.00 0.00 N ATOM 2176 CA GLY A 136 -6.772 -8.585 13.537 1.00 0.00 C ATOM 2177 C GLY A 136 -6.958 -7.777 14.806 1.00 0.00 C ATOM 2178 O GLY A 136 -8.034 -7.787 15.403 1.00 0.00 O ATOM 0 H GLY A 136 -5.077 -8.415 12.319 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.746 -8.782 13.089 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -6.334 -9.552 13.786 1.00 0.00 H new ATOM 2182 N GLU A 137 -5.906 -7.077 15.219 1.00 0.00 N ATOM 2183 CA GLU A 137 -5.959 -6.263 16.428 1.00 0.00 C ATOM 2184 C GLU A 137 -6.801 -5.010 16.203 1.00 0.00 C ATOM 2185 O GLU A 137 -7.815 -4.802 16.870 1.00 0.00 O ATOM 2186 CB GLU A 137 -4.547 -5.870 16.866 1.00 0.00 C ATOM 2187 CG GLU A 137 -4.459 -5.437 18.320 1.00 0.00 C ATOM 2188 CD GLU A 137 -3.053 -5.544 18.877 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -2.251 -6.323 18.321 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -2.754 -4.847 19.870 1.00 0.00 O ATOM 0 H GLU A 137 -5.008 -7.057 14.735 1.00 0.00 H new ATOM 0 HA GLU A 137 -6.424 -6.856 17.215 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -3.878 -6.715 16.706 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -4.192 -5.058 16.232 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -4.804 -4.407 18.410 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -5.131 -6.051 18.919 1.00 0.00 H new ATOM 2197 N HIS A 138 -6.372 -4.177 15.259 1.00 0.00 N ATOM 2198 CA HIS A 138 -7.086 -2.944 14.946 1.00 0.00 C ATOM 2199 C HIS A 138 -8.291 -3.226 14.053 1.00 0.00 C ATOM 2200 O HIS A 138 -9.436 -3.054 14.468 1.00 0.00 O ATOM 2201 CB HIS A 138 -6.150 -1.949 14.260 1.00 0.00 C ATOM 2202 CG HIS A 138 -4.983 -1.542 15.107 1.00 0.00 C ATOM 2203 ND1 HIS A 138 -3.664 -1.823 14.991 1.00 0.00 N flip ATOM 2204 CD2 HIS A 138 -5.108 -0.752 16.231 1.00 0.00 C flip ATOM 2205 CE1 HIS A 138 -3.022 -1.202 16.034 1.00 0.00 C flip ATOM 2206 NE2 HIS A 138 -3.916 -0.562 16.767 1.00 0.00 N flip ATOM 0 H HIS A 138 -5.534 -4.334 14.698 1.00 0.00 H new ATOM 0 HA HIS A 138 -7.442 -2.511 15.881 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -5.780 -2.390 13.334 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -6.717 -1.059 13.985 1.00 0.00 H new ATOM 0 HD1 HIS A 138 -3.228 -2.390 14.264 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -6.035 -0.352 16.613 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -1.959 -1.232 16.224 1.00 0.00 H new ATOM 2215 N GLY A 139 -8.023 -3.658 12.825 1.00 0.00 N ATOM 2216 CA GLY A 139 -9.095 -3.955 11.893 1.00 0.00 C ATOM 2217 C GLY A 139 -9.190 -2.936 10.775 1.00 0.00 C ATOM 2218 O GLY A 139 -8.530 -1.899 10.815 1.00 0.00 O ATOM 0 H GLY A 139 -7.083 -3.808 12.459 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -8.937 -4.945 11.466 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -10.042 -3.988 12.432 1.00 0.00 H new ATOM 2222 N GLN A 140 -10.013 -3.233 9.774 1.00 0.00 N ATOM 2223 CA GLN A 140 -10.190 -2.335 8.639 1.00 0.00 C ATOM 2224 C GLN A 140 -10.609 -0.945 9.105 1.00 0.00 C ATOM 2225 O GLN A 140 -11.066 -0.769 10.236 1.00 0.00 O ATOM 2226 CB GLN A 140 -11.235 -2.898 7.674 1.00 0.00 C ATOM 2227 CG GLN A 140 -10.986 -2.523 6.222 1.00 0.00 C ATOM 2228 CD GLN A 140 -9.799 -3.253 5.626 1.00 0.00 C ATOM 2229 OE1 GLN A 140 -9.005 -3.862 6.344 1.00 0.00 O ATOM 2230 NE2 GLN A 140 -9.670 -3.196 4.305 1.00 0.00 N ATOM 0 H GLN A 140 -10.567 -4.088 9.726 1.00 0.00 H new ATOM 0 HA GLN A 140 -9.234 -2.252 8.121 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -11.251 -3.984 7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -12.221 -2.539 7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -11.877 -2.746 5.635 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -10.819 -1.448 6.152 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -10.351 -2.680 3.748 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -8.890 -3.668 3.848 1.00 0.00 H new ATOM 2239 N LEU A 141 -10.451 0.040 8.229 1.00 0.00 N ATOM 2240 CA LEU A 141 -10.812 1.417 8.550 1.00 0.00 C ATOM 2241 C LEU A 141 -12.251 1.499 9.051 1.00 0.00 C ATOM 2242 O LEU A 141 -12.972 0.501 9.063 1.00 0.00 O ATOM 2243 CB LEU A 141 -10.635 2.312 7.322 1.00 0.00 C ATOM 2244 CG LEU A 141 -9.221 2.836 7.072 1.00 0.00 C ATOM 2245 CD1 LEU A 141 -8.360 1.762 6.424 1.00 0.00 C ATOM 2246 CD2 LEU A 141 -9.261 4.085 6.204 1.00 0.00 C ATOM 0 H LEU A 141 -10.075 -0.089 7.290 1.00 0.00 H new ATOM 0 HA LEU A 141 -10.150 1.765 9.343 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -10.955 1.755 6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -11.305 3.166 7.420 1.00 0.00 H new ATOM 0 HG LEU A 141 -8.777 3.099 8.032 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -7.357 2.153 6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -8.304 0.895 7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -8.801 1.468 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -8.246 4.444 6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -9.725 3.848 5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -9.841 4.859 6.707 1.00 0.00 H new