USER MOD reduce.3.24.130724 H: found=0, std=0, add=1074, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1074 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 155 HIS : no HD1:sc= 0 X(o=0,f=0.081) USER MOD Set 1.2: A 159 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 148 MET CE :methyl 180:sc= -0.037 (180deg=-0.037) USER MOD Set 2.2: A 156 CYS SG : rot 11:sc= 0.797 USER MOD Set 3.1: A 67 HIS : no HE2:sc= -1.25 K(o=-2.3,f=-4.4) USER MOD Set 3.2: A 98 CYS SG : rot -45:sc= -1.45! USER MOD Set 3.3: A 101 CYS SG : rot 166:sc= 0.419 USER MOD Set 4.1: A 91 CYS SG : rot -71:sc= -3.26! USER MOD Set 4.2: A 93 THR OG1 : rot 180:sc= -0.679 USER MOD Set 5.1: A 87 TYR OH : rot 146:sc= 1.27 USER MOD Set 5.2: A 114 HIS : no HD1:sc= -1.58 K(o=-0.3,f=-9.6!) USER MOD Set 6.1: A 38 HIS :FLIP no HD1:sc= -0.13 F(o=-5.6,f=-4.2) USER MOD Set 6.2: A 85 GLN : amide:sc= -4.11 K(o=-4.2,f=-6.6!) USER MOD Single : A 31 CYS SG : rot -162:sc= -0.968! USER MOD Single : A 32 TYR OH : rot 30:sc= -1.49 USER MOD Single : A 37 MET CE :methyl 158:sc= -1 (180deg=-3.17!) USER MOD Single : A 39 ASN : amide:sc= -6.6! C(o=-6.6!,f=-11!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 94 SER OG : rot 180:sc= -0.196 USER MOD Single : A 96 SER OG : rot 154:sc= -1.77 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -138:sc= -5.13! (180deg=-12!) USER MOD Single : A 107 LYS NZ :NH3+ 154:sc= -0.107 (180deg=-0.637) USER MOD Single : A 110 SER OG : rot 180:sc= -0.722 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.17) USER MOD Single : A 113 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00863) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 110:sc= -0.376 USER MOD Single : A 125 TYR OH : rot 120:sc= -0.211 USER MOD Single : A 132 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 SER OG : rot 50:sc= 0.392 USER MOD Single : A 149 THR OG1 : rot 48:sc= 1.41 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 SER OG : rot 96:sc= 0.589 USER MOD Single : A 154 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0737) USER MOD Single : A 163 HIS : no HE2:sc= -4.6! C(o=-4.6!,f=-6.7!) USER MOD Single : A 164 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 166 CYS SG : rot -138:sc= -2.91! USER MOD Single : A 169 GLN : amide:sc= -0.0509 K(o=-0.051,f=-2.1!) USER MOD Single : A 177 HIS : no HD1:sc= -1.27 X(o=-1.3,f=-0.81) USER MOD Single : A 178 SER OG : rot -153:sc= -1.97! USER MOD Single : A 179 GLN : amide:sc= -0.0395 X(o=-0.039,f=0) USER MOD Single : A 182 SER OG : rot 180:sc= 0 USER MOD Single : A 190 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 191 ASN : amide:sc= -3.15! C(o=-3.1!,f=-6.5!) USER MOD Single : A 192 GLN :FLIP amide:sc= -1.24 F(o=-1.8,f=-1.2) USER MOD Single : A 194 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 489 N LEU A 30 3.986 -5.135 -4.098 1.00 0.00 N ATOM 490 CA LEU A 30 3.606 -4.265 -2.989 1.00 0.00 C ATOM 491 C LEU A 30 3.278 -5.115 -1.771 1.00 0.00 C ATOM 492 O LEU A 30 2.749 -6.217 -1.911 1.00 0.00 O ATOM 493 CB LEU A 30 2.393 -3.411 -3.377 1.00 0.00 C ATOM 494 CG LEU A 30 1.145 -4.300 -3.565 1.00 0.00 C ATOM 495 CD1 LEU A 30 0.260 -4.265 -2.310 1.00 0.00 C ATOM 496 CD2 LEU A 30 0.330 -3.784 -4.750 1.00 0.00 C ATOM 0 HA LEU A 30 4.437 -3.600 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.203 -2.666 -2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.603 -2.868 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 30 1.474 -5.324 -3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.614 -4.898 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.827 -4.631 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.062 -3.241 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.552 -4.410 -4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.020 -2.757 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.940 -3.817 -5.653 1.00 0.00 H new ATOM 508 N CYS A 31 3.589 -4.619 -0.575 1.00 0.00 N ATOM 509 CA CYS A 31 3.304 -5.385 0.629 1.00 0.00 C ATOM 510 C CYS A 31 1.962 -4.951 1.206 1.00 0.00 C ATOM 511 O CYS A 31 1.554 -3.800 1.044 1.00 0.00 O ATOM 512 CB CYS A 31 4.430 -5.208 1.649 1.00 0.00 C ATOM 513 SG CYS A 31 6.024 -5.208 0.791 1.00 0.00 S ATOM 0 H CYS A 31 4.028 -3.712 -0.418 1.00 0.00 H new ATOM 0 HA CYS A 31 3.245 -6.444 0.380 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.298 -4.273 2.194 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.400 -6.013 2.384 1.00 0.00 H new ATOM 0 HG CYS A 31 6.976 -5.444 1.644 1.00 0.00 H new ATOM 519 N TYR A 32 1.265 -5.876 1.861 1.00 0.00 N ATOM 520 CA TYR A 32 -0.042 -5.563 2.426 1.00 0.00 C ATOM 521 C TYR A 32 -0.224 -6.289 3.748 1.00 0.00 C ATOM 522 O TYR A 32 0.032 -7.488 3.861 1.00 0.00 O ATOM 523 CB TYR A 32 -1.148 -5.935 1.408 1.00 0.00 C ATOM 524 CG TYR A 32 -2.104 -6.981 1.953 1.00 0.00 C ATOM 525 CD1 TYR A 32 -1.671 -8.298 2.153 1.00 0.00 C ATOM 526 CD2 TYR A 32 -3.429 -6.635 2.237 1.00 0.00 C ATOM 527 CE1 TYR A 32 -2.558 -9.265 2.635 1.00 0.00 C ATOM 528 CE2 TYR A 32 -4.319 -7.604 2.715 1.00 0.00 C ATOM 529 CZ TYR A 32 -3.882 -8.920 2.915 1.00 0.00 C ATOM 530 OH TYR A 32 -4.758 -9.879 3.382 1.00 0.00 O ATOM 0 H TYR A 32 1.579 -6.835 2.012 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.114 -4.494 2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.708 -5.039 1.139 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.687 -6.309 0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.648 -8.567 1.934 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.766 -5.620 2.087 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.219 -10.279 2.791 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.343 -7.337 2.930 1.00 0.00 H new ATOM 0 HH TYR A 32 -4.264 -10.551 3.897 1.00 0.00 H new ATOM 540 N GLU A 33 -0.645 -5.538 4.747 1.00 0.00 N ATOM 541 CA GLU A 33 -0.847 -6.076 6.070 1.00 0.00 C ATOM 542 C GLU A 33 -2.253 -5.759 6.551 1.00 0.00 C ATOM 543 O GLU A 33 -2.642 -4.596 6.627 1.00 0.00 O ATOM 544 CB GLU A 33 0.188 -5.432 6.985 1.00 0.00 C ATOM 545 CG GLU A 33 1.563 -5.998 6.634 1.00 0.00 C ATOM 546 CD GLU A 33 2.586 -5.586 7.687 1.00 0.00 C ATOM 547 OE1 GLU A 33 2.231 -4.810 8.558 1.00 0.00 O ATOM 548 OE2 GLU A 33 3.710 -6.052 7.606 1.00 0.00 O ATOM 0 H GLU A 33 -0.855 -4.543 4.661 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.732 -7.160 6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.181 -4.349 6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.050 -5.635 8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.512 -7.085 6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.874 -5.637 5.654 1.00 0.00 H new ATOM 555 N VAL A 34 -3.023 -6.793 6.878 1.00 0.00 N ATOM 556 CA VAL A 34 -4.385 -6.575 7.351 1.00 0.00 C ATOM 557 C VAL A 34 -4.663 -7.369 8.610 1.00 0.00 C ATOM 558 O VAL A 34 -4.055 -8.410 8.857 1.00 0.00 O ATOM 559 CB VAL A 34 -5.410 -6.944 6.277 1.00 0.00 C ATOM 560 CG1 VAL A 34 -5.132 -8.348 5.726 1.00 0.00 C ATOM 561 CG2 VAL A 34 -6.812 -6.886 6.901 1.00 0.00 C ATOM 0 H VAL A 34 -2.735 -7.770 6.826 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.478 -5.513 7.577 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.342 -6.240 5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.871 -8.593 4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.135 -8.376 5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.192 -9.075 6.536 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.556 -7.147 6.148 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.871 -7.592 7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.005 -5.878 7.269 1.00 0.00 H new ATOM 571 N GLU A 35 -5.594 -6.856 9.410 1.00 0.00 N ATOM 572 CA GLU A 35 -5.960 -7.505 10.654 1.00 0.00 C ATOM 573 C GLU A 35 -7.465 -7.691 10.759 1.00 0.00 C ATOM 574 O GLU A 35 -8.247 -6.899 10.228 1.00 0.00 O ATOM 575 CB GLU A 35 -5.470 -6.669 11.836 1.00 0.00 C ATOM 576 CG GLU A 35 -3.955 -6.514 11.747 1.00 0.00 C ATOM 577 CD GLU A 35 -3.377 -6.234 13.130 1.00 0.00 C ATOM 578 OE1 GLU A 35 -4.157 -5.976 14.034 1.00 0.00 O ATOM 579 OE2 GLU A 35 -2.167 -6.279 13.266 1.00 0.00 O ATOM 0 H GLU A 35 -6.104 -5.995 9.215 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.490 -8.488 10.671 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.949 -5.690 11.828 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.744 -7.150 12.775 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.512 -7.421 11.336 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.704 -5.700 11.067 1.00 0.00 H new ATOM 586 N ARG A 36 -7.854 -8.742 11.469 1.00 0.00 N ATOM 587 CA ARG A 36 -9.264 -9.046 11.671 1.00 0.00 C ATOM 588 C ARG A 36 -9.679 -8.648 13.072 1.00 0.00 C ATOM 589 O ARG A 36 -8.902 -8.782 14.016 1.00 0.00 O ATOM 590 CB ARG A 36 -9.515 -10.544 11.502 1.00 0.00 C ATOM 591 CG ARG A 36 -10.963 -10.863 11.871 1.00 0.00 C ATOM 592 CD ARG A 36 -11.352 -12.217 11.279 1.00 0.00 C ATOM 593 NE ARG A 36 -10.503 -13.269 11.828 1.00 0.00 N ATOM 594 CZ ARG A 36 -10.262 -14.384 11.146 1.00 0.00 C ATOM 595 NH1 ARG A 36 -10.782 -14.551 9.961 1.00 0.00 N ATOM 596 NH2 ARG A 36 -9.504 -15.313 11.662 1.00 0.00 N ATOM 0 H ARG A 36 -7.213 -9.398 11.915 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.843 -8.490 10.933 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.317 -10.843 10.473 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.834 -11.111 12.136 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.078 -10.881 12.955 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.626 -10.085 11.493 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.398 -12.432 11.499 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.254 -12.189 10.194 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.087 -13.147 12.751 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.374 -13.825 9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.596 -15.407 9.439 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.097 -15.183 12.588 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.319 -16.169 11.139 1.00 0.00 H new ATOM 610 N MET A 37 -10.908 -8.172 13.210 1.00 0.00 N ATOM 611 CA MET A 37 -11.416 -7.775 14.515 1.00 0.00 C ATOM 612 C MET A 37 -12.484 -8.745 14.973 1.00 0.00 C ATOM 613 O MET A 37 -13.528 -8.879 14.334 1.00 0.00 O ATOM 614 CB MET A 37 -11.986 -6.360 14.460 1.00 0.00 C ATOM 615 CG MET A 37 -10.895 -5.388 14.003 1.00 0.00 C ATOM 616 SD MET A 37 -11.316 -3.705 14.515 1.00 0.00 S ATOM 617 CE MET A 37 -11.311 -4.014 16.293 1.00 0.00 C ATOM 0 H MET A 37 -11.567 -8.052 12.441 1.00 0.00 H new ATOM 0 HA MET A 37 -10.591 -7.790 15.227 1.00 0.00 H new ATOM 0 HB2 MET A 37 -12.832 -6.323 13.773 1.00 0.00 H new ATOM 0 HB3 MET A 37 -12.360 -6.069 15.442 1.00 0.00 H new ATOM 0 HG2 MET A 37 -9.935 -5.678 14.430 1.00 0.00 H new ATOM 0 HG3 MET A 37 -10.788 -5.432 12.919 1.00 0.00 H new ATOM 0 HE1 MET A 37 -11.159 -3.075 16.825 1.00 0.00 H new ATOM 0 HE2 MET A 37 -12.265 -4.449 16.589 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.505 -4.705 16.540 1.00 0.00 H new ATOM 627 N HIS A 38 -12.224 -9.403 16.095 1.00 0.00 N ATOM 628 CA HIS A 38 -13.177 -10.346 16.642 1.00 0.00 C ATOM 629 C HIS A 38 -14.099 -9.582 17.556 1.00 0.00 C ATOM 630 O HIS A 38 -13.747 -9.276 18.690 1.00 0.00 O ATOM 631 CB HIS A 38 -12.452 -11.448 17.420 1.00 0.00 C ATOM 632 CG HIS A 38 -13.435 -12.189 18.284 1.00 0.00 C ATOM 633 ND1 HIS A 38 -14.456 -13.057 17.980 1.00 0.00 N flip ATOM 634 CD2 HIS A 38 -13.437 -12.074 19.665 1.00 0.00 C flip ATOM 635 CE1 HIS A 38 -15.081 -13.473 19.151 1.00 0.00 C flip ATOM 636 NE2 HIS A 38 -14.428 -12.851 20.136 1.00 0.00 N flip ATOM 0 H HIS A 38 -11.366 -9.299 16.637 1.00 0.00 H new ATOM 0 HA HIS A 38 -13.742 -10.823 15.841 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.969 -12.138 16.728 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -11.666 -11.014 18.037 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.764 -11.470 20.256 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -15.915 -14.153 19.244 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -14.654 -12.953 21.125 1.00 0.00 H new ATOM 645 N ASN A 39 -15.261 -9.229 17.053 1.00 0.00 N ATOM 646 CA ASN A 39 -16.168 -8.453 17.857 1.00 0.00 C ATOM 647 C ASN A 39 -15.497 -7.125 18.183 1.00 0.00 C ATOM 648 O ASN A 39 -14.592 -6.681 17.474 1.00 0.00 O ATOM 649 CB ASN A 39 -16.489 -9.200 19.157 1.00 0.00 C ATOM 650 CG ASN A 39 -17.726 -8.612 19.809 1.00 0.00 C ATOM 651 OD1 ASN A 39 -18.469 -7.859 19.180 1.00 0.00 O ATOM 652 ND2 ASN A 39 -17.993 -8.914 21.045 1.00 0.00 N ATOM 0 H ASN A 39 -15.591 -9.461 16.116 1.00 0.00 H new ATOM 0 HA ASN A 39 -17.098 -8.286 17.314 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -16.648 -10.258 18.947 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.643 -9.134 19.841 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -18.821 -8.526 21.497 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -17.374 -9.538 21.562 1.00 0.00 H new ATOM 659 N ASP A 40 -15.944 -6.507 19.251 1.00 0.00 N ATOM 660 CA ASP A 40 -15.398 -5.231 19.687 1.00 0.00 C ATOM 661 C ASP A 40 -13.883 -5.277 19.919 1.00 0.00 C ATOM 662 O ASP A 40 -13.355 -4.392 20.593 1.00 0.00 O ATOM 663 CB ASP A 40 -16.068 -4.831 21.001 1.00 0.00 C ATOM 664 CG ASP A 40 -17.408 -4.157 20.726 1.00 0.00 C ATOM 665 OD1 ASP A 40 -18.267 -4.804 20.151 1.00 0.00 O ATOM 666 OD2 ASP A 40 -17.554 -3.003 21.093 1.00 0.00 O ATOM 0 H ASP A 40 -16.692 -6.867 19.843 1.00 0.00 H new ATOM 0 HA ASP A 40 -15.593 -4.510 18.893 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.217 -5.713 21.624 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.419 -4.154 21.557 1.00 0.00 H new ATOM 671 N THR A 41 -13.171 -6.297 19.413 1.00 0.00 N ATOM 672 CA THR A 41 -11.738 -6.366 19.662 1.00 0.00 C ATOM 673 C THR A 41 -10.927 -6.646 18.408 1.00 0.00 C ATOM 674 O THR A 41 -11.472 -6.868 17.333 1.00 0.00 O ATOM 675 CB THR A 41 -11.475 -7.398 20.748 1.00 0.00 C ATOM 676 OG1 THR A 41 -10.252 -7.087 21.403 1.00 0.00 O ATOM 677 CG2 THR A 41 -11.396 -8.814 20.168 1.00 0.00 C ATOM 0 H THR A 41 -13.554 -7.056 18.850 1.00 0.00 H new ATOM 0 HA THR A 41 -11.404 -5.385 20.002 1.00 0.00 H new ATOM 0 HB THR A 41 -12.303 -7.368 21.456 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.079 -7.749 22.105 1.00 0.00 H new ATOM 0 HG21 THR A 41 -11.207 -9.526 20.971 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.339 -9.060 19.679 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.586 -8.865 19.440 1.00 0.00 H new ATOM 685 N TRP A 42 -9.615 -6.598 18.573 1.00 0.00 N ATOM 686 CA TRP A 42 -8.688 -6.798 17.462 1.00 0.00 C ATOM 687 C TRP A 42 -7.996 -8.158 17.514 1.00 0.00 C ATOM 688 O TRP A 42 -7.905 -8.789 18.567 1.00 0.00 O ATOM 689 CB TRP A 42 -7.639 -5.690 17.490 1.00 0.00 C ATOM 690 CG TRP A 42 -7.167 -5.495 18.894 1.00 0.00 C ATOM 691 CD1 TRP A 42 -6.282 -6.292 19.534 1.00 0.00 C ATOM 692 CD2 TRP A 42 -7.541 -4.456 19.845 1.00 0.00 C ATOM 693 NE1 TRP A 42 -6.086 -5.807 20.814 1.00 0.00 N ATOM 694 CE2 TRP A 42 -6.838 -4.678 21.051 1.00 0.00 C ATOM 695 CE3 TRP A 42 -8.410 -3.352 19.778 1.00 0.00 C ATOM 696 CZ2 TRP A 42 -6.989 -3.842 22.152 1.00 0.00 C ATOM 697 CZ3 TRP A 42 -8.565 -2.504 20.888 1.00 0.00 C ATOM 698 CH2 TRP A 42 -7.856 -2.749 22.072 1.00 0.00 C ATOM 0 H TRP A 42 -9.162 -6.421 19.470 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.264 -6.766 16.537 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -6.800 -5.951 16.845 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -8.062 -4.763 17.104 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.806 -7.165 19.114 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -5.461 -6.233 21.498 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -8.960 -3.155 18.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -6.440 -4.036 23.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -9.234 -1.659 20.828 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.980 -2.094 22.922 1.00 0.00 H new ATOM 709 N VAL A 43 -7.507 -8.597 16.352 1.00 0.00 N ATOM 710 CA VAL A 43 -6.815 -9.878 16.236 1.00 0.00 C ATOM 711 C VAL A 43 -5.454 -9.672 15.572 1.00 0.00 C ATOM 712 O VAL A 43 -5.255 -8.699 14.844 1.00 0.00 O ATOM 713 CB VAL A 43 -7.631 -10.862 15.379 1.00 0.00 C ATOM 714 CG1 VAL A 43 -7.179 -12.293 15.684 1.00 0.00 C ATOM 715 CG2 VAL A 43 -9.136 -10.734 15.671 1.00 0.00 C ATOM 0 H VAL A 43 -7.579 -8.080 15.476 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.690 -10.287 17.238 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.461 -10.627 14.328 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.755 -12.993 15.079 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.119 -12.397 15.450 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.341 -12.508 16.740 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.688 -11.441 15.052 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.322 -10.951 16.723 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.465 -9.720 15.446 1.00 0.00 H new ATOM 1080 N ARG A 66 -6.906 -4.081 -10.465 1.00 0.00 N ATOM 1081 CA ARG A 66 -7.149 -3.830 -9.050 1.00 0.00 C ATOM 1082 C ARG A 66 -5.860 -3.395 -8.357 1.00 0.00 C ATOM 1083 O ARG A 66 -4.867 -4.123 -8.357 1.00 0.00 O ATOM 1084 CB ARG A 66 -7.692 -5.100 -8.382 1.00 0.00 C ATOM 1085 CG ARG A 66 -9.214 -5.154 -8.541 1.00 0.00 C ATOM 1086 CD ARG A 66 -9.685 -6.608 -8.472 1.00 0.00 C ATOM 1087 NE ARG A 66 -11.097 -6.670 -8.109 1.00 0.00 N ATOM 1088 CZ ARG A 66 -11.612 -7.754 -7.534 1.00 0.00 C ATOM 1089 NH1 ARG A 66 -10.851 -8.785 -7.290 1.00 0.00 N ATOM 1090 NH2 ARG A 66 -12.877 -7.787 -7.215 1.00 0.00 N ATOM 0 HA ARG A 66 -7.884 -3.030 -8.959 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.238 -5.983 -8.832 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.426 -5.109 -7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.693 -4.568 -7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.506 -4.711 -9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.529 -7.093 -9.436 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.091 -7.155 -7.740 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.699 -5.869 -8.299 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.862 -8.760 -7.540 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.245 -9.616 -6.849 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.472 -6.981 -7.406 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.270 -8.619 -6.774 1.00 0.00 H new ATOM 1104 N HIS A 67 -5.883 -2.202 -7.768 1.00 0.00 N ATOM 1105 CA HIS A 67 -4.714 -1.678 -7.077 1.00 0.00 C ATOM 1106 C HIS A 67 -4.782 -2.035 -5.589 1.00 0.00 C ATOM 1107 O HIS A 67 -5.861 -2.264 -5.047 1.00 0.00 O ATOM 1108 CB HIS A 67 -4.647 -0.155 -7.279 1.00 0.00 C ATOM 1109 CG HIS A 67 -4.077 0.159 -8.646 1.00 0.00 C ATOM 1110 ND1 HIS A 67 -3.882 1.465 -9.091 1.00 0.00 N ATOM 1111 CD2 HIS A 67 -3.667 -0.648 -9.685 1.00 0.00 C ATOM 1112 CE1 HIS A 67 -3.377 1.399 -10.337 1.00 0.00 C ATOM 1113 NE2 HIS A 67 -3.228 0.137 -10.745 1.00 0.00 N ATOM 0 H HIS A 67 -6.695 -1.585 -7.757 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.809 -2.125 -7.488 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.643 0.278 -7.183 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.027 0.296 -6.504 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -4.085 2.317 -8.568 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.684 -1.728 -9.677 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.123 2.262 -10.934 1.00 0.00 H new ATOM 1121 N ALA A 68 -3.621 -2.110 -4.946 1.00 0.00 N ATOM 1122 CA ALA A 68 -3.554 -2.470 -3.529 1.00 0.00 C ATOM 1123 C ALA A 68 -4.798 -1.998 -2.774 1.00 0.00 C ATOM 1124 O ALA A 68 -5.278 -2.670 -1.856 1.00 0.00 O ATOM 1125 CB ALA A 68 -2.303 -1.863 -2.898 1.00 0.00 C ATOM 0 H ALA A 68 -2.716 -1.928 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.509 -3.557 -3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.259 -2.135 -1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.418 -2.243 -3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.338 -0.778 -2.992 1.00 0.00 H new ATOM 1131 N GLU A 69 -5.318 -0.841 -3.166 1.00 0.00 N ATOM 1132 CA GLU A 69 -6.508 -0.297 -2.520 1.00 0.00 C ATOM 1133 C GLU A 69 -7.668 -1.291 -2.621 1.00 0.00 C ATOM 1134 O GLU A 69 -8.154 -1.806 -1.608 1.00 0.00 O ATOM 1135 CB GLU A 69 -6.902 1.054 -3.160 1.00 0.00 C ATOM 1136 CG GLU A 69 -6.016 1.336 -4.378 1.00 0.00 C ATOM 1137 CD GLU A 69 -4.606 1.698 -3.925 1.00 0.00 C ATOM 1138 OE1 GLU A 69 -4.393 1.783 -2.727 1.00 0.00 O ATOM 1139 OE2 GLU A 69 -3.759 1.886 -4.783 1.00 0.00 O ATOM 0 H GLU A 69 -4.940 -0.266 -3.919 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.283 -0.128 -1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.950 1.032 -3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.796 1.856 -2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.985 0.460 -5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.439 2.152 -4.965 1.00 0.00 H new ATOM 1146 N LEU A 70 -8.105 -1.558 -3.848 1.00 0.00 N ATOM 1147 CA LEU A 70 -9.208 -2.488 -4.064 1.00 0.00 C ATOM 1148 C LEU A 70 -8.800 -3.891 -3.631 1.00 0.00 C ATOM 1149 O LEU A 70 -9.647 -4.752 -3.399 1.00 0.00 O ATOM 1150 CB LEU A 70 -9.642 -2.520 -5.533 1.00 0.00 C ATOM 1151 CG LEU A 70 -9.688 -1.099 -6.119 1.00 0.00 C ATOM 1152 CD1 LEU A 70 -10.363 -0.123 -5.133 1.00 0.00 C ATOM 1153 CD2 LEU A 70 -8.265 -0.620 -6.456 1.00 0.00 C ATOM 0 H LEU A 70 -7.718 -1.149 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.050 -2.142 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.949 -3.133 -6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.624 -2.985 -5.617 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.279 -1.122 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.385 0.876 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.382 -0.454 -4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.800 -0.101 -4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.309 0.387 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.659 -0.614 -5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.818 -1.294 -7.187 1.00 0.00 H new ATOM 1165 N CYS A 71 -7.493 -4.115 -3.543 1.00 0.00 N ATOM 1166 CA CYS A 71 -6.977 -5.427 -3.157 1.00 0.00 C ATOM 1167 C CYS A 71 -7.496 -5.862 -1.784 1.00 0.00 C ATOM 1168 O CYS A 71 -8.217 -6.859 -1.682 1.00 0.00 O ATOM 1169 CB CYS A 71 -5.450 -5.433 -3.174 1.00 0.00 C ATOM 1170 SG CYS A 71 -4.873 -7.142 -3.061 1.00 0.00 S ATOM 0 H CYS A 71 -6.776 -3.414 -3.731 1.00 0.00 H new ATOM 0 HA CYS A 71 -7.340 -6.146 -3.891 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -5.081 -4.970 -4.089 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -5.061 -4.847 -2.341 1.00 0.00 H new ATOM 0 HG CYS A 71 -3.573 -7.163 -3.076 1.00 0.00 H new ATOM 1176 N PHE A 72 -7.168 -5.132 -0.717 1.00 0.00 N ATOM 1177 CA PHE A 72 -7.687 -5.546 0.583 1.00 0.00 C ATOM 1178 C PHE A 72 -9.193 -5.414 0.534 1.00 0.00 C ATOM 1179 O PHE A 72 -9.925 -6.297 0.964 1.00 0.00 O ATOM 1180 CB PHE A 72 -7.119 -4.731 1.745 1.00 0.00 C ATOM 1181 CG PHE A 72 -7.149 -3.259 1.429 1.00 0.00 C ATOM 1182 CD1 PHE A 72 -8.347 -2.536 1.534 1.00 0.00 C ATOM 1183 CD2 PHE A 72 -5.974 -2.611 1.038 1.00 0.00 C ATOM 1184 CE1 PHE A 72 -8.361 -1.175 1.245 1.00 0.00 C ATOM 1185 CE2 PHE A 72 -5.993 -1.253 0.749 1.00 0.00 C ATOM 1186 CZ PHE A 72 -7.183 -0.537 0.852 1.00 0.00 C ATOM 0 H PHE A 72 -6.580 -4.299 -0.722 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.381 -6.576 0.769 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.697 -4.926 2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.095 -5.043 1.948 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -9.256 -3.034 1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.051 -3.167 0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.280 -0.614 1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.086 -0.752 0.445 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.195 0.519 0.626 1.00 0.00 H new ATOM 1196 N LEU A 73 -9.652 -4.326 -0.058 1.00 0.00 N ATOM 1197 CA LEU A 73 -11.069 -4.115 -0.232 1.00 0.00 C ATOM 1198 C LEU A 73 -11.722 -5.441 -0.618 1.00 0.00 C ATOM 1199 O LEU A 73 -12.898 -5.684 -0.346 1.00 0.00 O ATOM 1200 CB LEU A 73 -11.227 -3.104 -1.357 1.00 0.00 C ATOM 1201 CG LEU A 73 -12.470 -2.234 -1.156 1.00 0.00 C ATOM 1202 CD1 LEU A 73 -12.262 -1.264 0.026 1.00 0.00 C ATOM 1203 CD2 LEU A 73 -12.711 -1.447 -2.453 1.00 0.00 C ATOM 0 H LEU A 73 -9.062 -3.579 -0.424 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.540 -3.749 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.342 -2.470 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.297 -3.627 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.333 -2.859 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.155 -0.652 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.077 -1.834 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.407 -0.619 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.593 -0.817 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.844 -0.822 -2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.867 -2.143 -3.277 1.00 0.00 H new ATOM 1215 N ASP A 74 -10.921 -6.291 -1.264 1.00 0.00 N ATOM 1216 CA ASP A 74 -11.382 -7.602 -1.710 1.00 0.00 C ATOM 1217 C ASP A 74 -11.063 -8.700 -0.695 1.00 0.00 C ATOM 1218 O ASP A 74 -11.710 -9.746 -0.703 1.00 0.00 O ATOM 1219 CB ASP A 74 -10.745 -7.950 -3.057 1.00 0.00 C ATOM 1220 CG ASP A 74 -10.985 -6.819 -4.050 1.00 0.00 C ATOM 1221 OD1 ASP A 74 -12.010 -6.167 -3.939 1.00 0.00 O ATOM 1222 OD2 ASP A 74 -10.141 -6.620 -4.907 1.00 0.00 O ATOM 0 H ASP A 74 -9.946 -6.091 -1.489 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.466 -7.547 -1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.675 -8.115 -2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.168 -8.879 -3.440 1.00 0.00 H new ATOM 1227 N VAL A 75 -10.076 -8.489 0.182 1.00 0.00 N ATOM 1228 CA VAL A 75 -9.755 -9.516 1.158 1.00 0.00 C ATOM 1229 C VAL A 75 -10.812 -9.580 2.269 1.00 0.00 C ATOM 1230 O VAL A 75 -11.296 -10.637 2.621 1.00 0.00 O ATOM 1231 CB VAL A 75 -8.377 -9.294 1.787 1.00 0.00 C ATOM 1232 CG1 VAL A 75 -8.456 -8.290 2.939 1.00 0.00 C ATOM 1233 CG2 VAL A 75 -7.913 -10.635 2.326 1.00 0.00 C ATOM 0 H VAL A 75 -9.507 -7.644 0.232 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.744 -10.462 0.617 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.687 -8.896 1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.464 -8.150 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.827 -7.336 2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.133 -8.668 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.931 -10.523 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.623 -10.993 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.852 -11.354 1.509 1.00 0.00 H new ATOM 1243 N ILE A 76 -11.144 -8.439 2.840 1.00 0.00 N ATOM 1244 CA ILE A 76 -12.132 -8.409 3.927 1.00 0.00 C ATOM 1245 C ILE A 76 -13.277 -9.418 3.679 1.00 0.00 C ATOM 1246 O ILE A 76 -13.556 -10.247 4.545 1.00 0.00 O ATOM 1247 CB ILE A 76 -12.708 -6.987 4.128 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -11.780 -5.942 3.504 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -12.853 -6.681 5.615 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -10.440 -5.918 4.249 1.00 0.00 C ATOM 0 H ILE A 76 -10.759 -7.530 2.583 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.611 -8.700 4.839 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.684 -6.948 3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -11.616 -6.172 2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.247 -4.958 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -13.259 -5.678 5.742 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -13.527 -7.406 6.072 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.877 -6.741 6.096 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.786 -5.172 3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.610 -5.666 5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.970 -6.899 4.184 1.00 0.00 H new ATOM 1262 N PRO A 77 -13.939 -9.389 2.532 1.00 0.00 N ATOM 1263 CA PRO A 77 -15.052 -10.344 2.225 1.00 0.00 C ATOM 1264 C PRO A 77 -14.522 -11.758 2.031 1.00 0.00 C ATOM 1265 O PRO A 77 -15.281 -12.708 1.857 1.00 0.00 O ATOM 1266 CB PRO A 77 -15.648 -9.796 0.926 1.00 0.00 C ATOM 1267 CG PRO A 77 -14.538 -9.064 0.273 1.00 0.00 C ATOM 1268 CD PRO A 77 -13.717 -8.467 1.409 1.00 0.00 C ATOM 0 HA PRO A 77 -15.784 -10.414 3.030 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -16.017 -10.601 0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.492 -9.136 1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -13.933 -9.734 -0.338 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -14.918 -8.285 -0.388 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -12.661 -8.404 1.147 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.046 -7.457 1.651 1.00 0.00 H new ATOM 1276 N PHE A 78 -13.204 -11.866 2.062 1.00 0.00 N ATOM 1277 CA PHE A 78 -12.519 -13.153 1.895 1.00 0.00 C ATOM 1278 C PHE A 78 -12.656 -14.004 3.153 1.00 0.00 C ATOM 1279 O PHE A 78 -12.813 -15.222 3.068 1.00 0.00 O ATOM 1280 CB PHE A 78 -11.040 -12.902 1.598 1.00 0.00 C ATOM 1281 CG PHE A 78 -10.396 -14.098 0.967 1.00 0.00 C ATOM 1282 CD1 PHE A 78 -10.489 -14.285 -0.412 1.00 0.00 C ATOM 1283 CD2 PHE A 78 -9.700 -15.012 1.760 1.00 0.00 C ATOM 1284 CE1 PHE A 78 -9.885 -15.400 -1.007 1.00 0.00 C ATOM 1285 CE2 PHE A 78 -9.095 -16.129 1.170 1.00 0.00 C ATOM 1286 CZ PHE A 78 -9.190 -16.323 -0.216 1.00 0.00 C ATOM 0 H PHE A 78 -12.576 -11.075 2.202 1.00 0.00 H new ATOM 0 HA PHE A 78 -12.977 -13.692 1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.942 -12.042 0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -10.519 -12.653 2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -11.026 -13.572 -1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.628 -14.858 2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -9.955 -15.548 -2.075 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.557 -16.839 1.781 1.00 0.00 H new ATOM 0 HZ PHE A 78 -8.727 -17.185 -0.673 1.00 0.00 H new ATOM 1296 N TRP A 79 -12.602 -13.365 4.323 1.00 0.00 N ATOM 1297 CA TRP A 79 -12.733 -14.101 5.571 1.00 0.00 C ATOM 1298 C TRP A 79 -14.213 -14.323 5.897 1.00 0.00 C ATOM 1299 O TRP A 79 -14.572 -15.260 6.610 1.00 0.00 O ATOM 1300 CB TRP A 79 -12.072 -13.341 6.729 1.00 0.00 C ATOM 1301 CG TRP A 79 -10.984 -12.426 6.253 1.00 0.00 C ATOM 1302 CD1 TRP A 79 -10.095 -12.675 5.263 1.00 0.00 C ATOM 1303 CD2 TRP A 79 -10.663 -11.109 6.768 1.00 0.00 C ATOM 1304 NE1 TRP A 79 -9.246 -11.579 5.143 1.00 0.00 N ATOM 1305 CE2 TRP A 79 -9.564 -10.584 6.053 1.00 0.00 C ATOM 1306 CE3 TRP A 79 -11.228 -10.331 7.783 1.00 0.00 C ATOM 1307 CZ2 TRP A 79 -9.042 -9.313 6.346 1.00 0.00 C ATOM 1308 CZ3 TRP A 79 -10.715 -9.062 8.079 1.00 0.00 C ATOM 1309 CH2 TRP A 79 -9.626 -8.554 7.366 1.00 0.00 C ATOM 0 H TRP A 79 -12.471 -12.359 4.428 1.00 0.00 H new ATOM 0 HA TRP A 79 -12.233 -15.062 5.448 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.827 -12.761 7.260 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -11.659 -14.055 7.442 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -10.052 -13.574 4.666 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -8.484 -11.516 4.468 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -12.068 -10.712 8.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.200 -8.927 5.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -11.164 -8.472 8.864 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.235 -7.575 7.602 1.00 0.00 H new ATOM 1320 N LYS A 80 -15.060 -13.450 5.359 1.00 0.00 N ATOM 1321 CA LYS A 80 -16.497 -13.531 5.573 1.00 0.00 C ATOM 1322 C LYS A 80 -16.866 -13.509 7.060 1.00 0.00 C ATOM 1323 O LYS A 80 -17.563 -14.401 7.542 1.00 0.00 O ATOM 1324 CB LYS A 80 -17.055 -14.796 4.916 1.00 0.00 C ATOM 1325 CG LYS A 80 -16.123 -15.252 3.797 1.00 0.00 C ATOM 1326 CD LYS A 80 -16.910 -16.090 2.783 1.00 0.00 C ATOM 1327 CE LYS A 80 -15.965 -17.064 2.076 1.00 0.00 C ATOM 1328 NZ LYS A 80 -16.735 -17.878 1.094 1.00 0.00 N ATOM 0 H LYS A 80 -14.770 -12.672 4.767 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.943 -12.649 5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.160 -15.587 5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -18.050 -14.600 4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.680 -14.387 3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.302 -15.838 4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.703 -16.640 3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.390 -15.439 2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.173 -16.514 1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.483 -17.715 2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.093 -18.540 0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.475 -18.413 1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.174 -17.250 0.391 1.00 0.00 H new ATOM 1342 N LEU A 81 -16.423 -12.480 7.783 1.00 0.00 N ATOM 1343 CA LEU A 81 -16.756 -12.377 9.196 1.00 0.00 C ATOM 1344 C LEU A 81 -18.252 -12.265 9.379 1.00 0.00 C ATOM 1345 O LEU A 81 -19.050 -12.773 8.592 1.00 0.00 O ATOM 1346 CB LEU A 81 -16.155 -11.129 9.824 1.00 0.00 C ATOM 1347 CG LEU A 81 -14.742 -10.881 9.301 1.00 0.00 C ATOM 1348 CD1 LEU A 81 -14.771 -10.242 7.899 1.00 0.00 C ATOM 1349 CD2 LEU A 81 -14.068 -9.952 10.294 1.00 0.00 C ATOM 0 H LEU A 81 -15.845 -11.722 7.419 1.00 0.00 H new ATOM 0 HA LEU A 81 -16.358 -13.273 9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -16.785 -10.267 9.604 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -16.132 -11.238 10.908 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.198 -11.821 9.206 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -13.751 -10.077 7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -15.286 -10.908 7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -15.297 -9.288 7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -13.050 -9.743 9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -14.628 -9.019 10.357 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.041 -10.426 11.275 1.00 0.00 H new ATOM 1361 N ASP A 82 -18.593 -11.519 10.413 1.00 0.00 N ATOM 1362 CA ASP A 82 -19.963 -11.218 10.738 1.00 0.00 C ATOM 1363 C ASP A 82 -20.117 -9.705 10.679 1.00 0.00 C ATOM 1364 O ASP A 82 -19.322 -9.019 10.037 1.00 0.00 O ATOM 1365 CB ASP A 82 -20.305 -11.740 12.139 1.00 0.00 C ATOM 1366 CG ASP A 82 -20.607 -13.233 12.077 1.00 0.00 C ATOM 1367 OD1 ASP A 82 -19.674 -14.001 11.910 1.00 0.00 O ATOM 1368 OD2 ASP A 82 -21.769 -13.586 12.196 1.00 0.00 O ATOM 0 H ASP A 82 -17.916 -11.104 11.053 1.00 0.00 H new ATOM 0 HA ASP A 82 -20.643 -11.700 10.035 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -19.472 -11.556 12.818 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -21.166 -11.202 12.537 1.00 0.00 H new ATOM 1373 N LEU A 83 -21.123 -9.190 11.344 1.00 0.00 N ATOM 1374 CA LEU A 83 -21.363 -7.759 11.366 1.00 0.00 C ATOM 1375 C LEU A 83 -20.679 -7.115 12.573 1.00 0.00 C ATOM 1376 O LEU A 83 -20.001 -6.096 12.450 1.00 0.00 O ATOM 1377 CB LEU A 83 -22.873 -7.515 11.426 1.00 0.00 C ATOM 1378 CG LEU A 83 -23.234 -6.171 10.795 1.00 0.00 C ATOM 1379 CD1 LEU A 83 -22.435 -5.059 11.464 1.00 0.00 C ATOM 1380 CD2 LEU A 83 -22.927 -6.202 9.294 1.00 0.00 C ATOM 0 H LEU A 83 -21.794 -9.740 11.881 1.00 0.00 H new ATOM 0 HA LEU A 83 -20.948 -7.309 10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -23.396 -8.318 10.906 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -23.208 -7.536 12.463 1.00 0.00 H new ATOM 0 HG LEU A 83 -24.298 -5.983 10.936 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -22.695 -4.102 11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -22.669 -5.033 12.528 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -21.369 -5.246 11.331 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -23.186 -5.241 8.850 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -21.865 -6.396 9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -23.511 -6.991 8.819 1.00 0.00 H new ATOM 1392 N ASP A 84 -20.878 -7.716 13.740 1.00 0.00 N ATOM 1393 CA ASP A 84 -20.299 -7.197 14.975 1.00 0.00 C ATOM 1394 C ASP A 84 -18.773 -7.145 14.902 1.00 0.00 C ATOM 1395 O ASP A 84 -18.121 -6.613 15.800 1.00 0.00 O ATOM 1396 CB ASP A 84 -20.724 -8.077 16.154 1.00 0.00 C ATOM 1397 CG ASP A 84 -20.435 -7.365 17.471 1.00 0.00 C ATOM 1398 OD1 ASP A 84 -19.937 -6.254 17.423 1.00 0.00 O ATOM 1399 OD2 ASP A 84 -20.718 -7.944 18.508 1.00 0.00 O ATOM 0 H ASP A 84 -21.435 -8.562 13.858 1.00 0.00 H new ATOM 0 HA ASP A 84 -20.666 -6.181 15.116 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -21.787 -8.307 16.082 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.190 -9.026 16.120 1.00 0.00 H new ATOM 1404 N GLN A 85 -18.208 -7.703 13.836 1.00 0.00 N ATOM 1405 CA GLN A 85 -16.758 -7.714 13.671 1.00 0.00 C ATOM 1406 C GLN A 85 -16.280 -6.475 12.913 1.00 0.00 C ATOM 1407 O GLN A 85 -17.089 -5.693 12.416 1.00 0.00 O ATOM 1408 CB GLN A 85 -16.337 -8.965 12.891 1.00 0.00 C ATOM 1409 CG GLN A 85 -16.914 -10.230 13.552 1.00 0.00 C ATOM 1410 CD GLN A 85 -15.823 -10.985 14.305 1.00 0.00 C ATOM 1411 OE1 GLN A 85 -14.712 -11.135 13.798 1.00 0.00 O ATOM 1412 NE2 GLN A 85 -16.076 -11.474 15.486 1.00 0.00 N ATOM 0 H GLN A 85 -18.726 -8.150 13.080 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.306 -7.716 14.663 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -16.686 -8.894 11.861 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -15.250 -9.030 12.855 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -17.715 -9.956 14.239 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -17.353 -10.876 12.792 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -16.998 -11.348 15.903 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -15.352 -11.983 15.993 1.00 0.00 H new ATOM 1421 N ASP A 86 -14.958 -6.306 12.824 1.00 0.00 N ATOM 1422 CA ASP A 86 -14.385 -5.163 12.116 1.00 0.00 C ATOM 1423 C ASP A 86 -13.086 -5.568 11.408 1.00 0.00 C ATOM 1424 O ASP A 86 -12.625 -6.702 11.539 1.00 0.00 O ATOM 1425 CB ASP A 86 -14.107 -4.017 13.100 1.00 0.00 C ATOM 1426 CG ASP A 86 -15.297 -3.063 13.154 1.00 0.00 C ATOM 1427 OD1 ASP A 86 -15.377 -2.197 12.296 1.00 0.00 O ATOM 1428 OD2 ASP A 86 -16.110 -3.210 14.050 1.00 0.00 O ATOM 0 H ASP A 86 -14.271 -6.941 13.230 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.102 -4.825 11.368 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.911 -4.421 14.093 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.212 -3.475 12.794 1.00 0.00 H new ATOM 1433 N TYR A 87 -12.499 -4.635 10.658 1.00 0.00 N ATOM 1434 CA TYR A 87 -11.252 -4.920 9.946 1.00 0.00 C ATOM 1435 C TYR A 87 -10.318 -3.710 9.966 1.00 0.00 C ATOM 1436 O TYR A 87 -10.656 -2.642 9.457 1.00 0.00 O ATOM 1437 CB TYR A 87 -11.539 -5.317 8.481 1.00 0.00 C ATOM 1438 CG TYR A 87 -13.027 -5.427 8.251 1.00 0.00 C ATOM 1439 CD1 TYR A 87 -13.695 -6.629 8.505 1.00 0.00 C ATOM 1440 CD2 TYR A 87 -13.733 -4.326 7.762 1.00 0.00 C ATOM 1441 CE1 TYR A 87 -15.071 -6.729 8.272 1.00 0.00 C ATOM 1442 CE2 TYR A 87 -15.108 -4.423 7.525 1.00 0.00 C ATOM 1443 CZ TYR A 87 -15.779 -5.625 7.779 1.00 0.00 C ATOM 1444 OH TYR A 87 -17.137 -5.722 7.545 1.00 0.00 O ATOM 0 H TYR A 87 -12.859 -3.690 10.528 1.00 0.00 H new ATOM 0 HA TYR A 87 -10.766 -5.751 10.457 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -11.113 -4.575 7.806 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -11.057 -6.268 8.254 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -13.148 -7.481 8.881 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -13.216 -3.398 7.566 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -15.587 -7.656 8.472 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -15.652 -3.571 7.146 1.00 0.00 H new ATOM 0 HH TYR A 87 -17.564 -4.862 7.738 1.00 0.00 H new ATOM 1454 N ARG A 88 -9.125 -3.904 10.517 1.00 0.00 N ATOM 1455 CA ARG A 88 -8.123 -2.843 10.554 1.00 0.00 C ATOM 1456 C ARG A 88 -7.069 -3.168 9.507 1.00 0.00 C ATOM 1457 O ARG A 88 -6.109 -3.890 9.778 1.00 0.00 O ATOM 1458 CB ARG A 88 -7.476 -2.756 11.940 1.00 0.00 C ATOM 1459 CG ARG A 88 -8.277 -1.802 12.827 1.00 0.00 C ATOM 1460 CD ARG A 88 -7.689 -1.811 14.237 1.00 0.00 C ATOM 1461 NE ARG A 88 -8.591 -1.138 15.163 1.00 0.00 N ATOM 1462 CZ ARG A 88 -8.163 -0.710 16.344 1.00 0.00 C ATOM 1463 NH1 ARG A 88 -6.916 -0.882 16.685 1.00 0.00 N ATOM 1464 NH2 ARG A 88 -8.989 -0.113 17.161 1.00 0.00 N ATOM 0 H ARG A 88 -8.828 -4.782 10.943 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.590 -1.880 10.346 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.438 -3.745 12.396 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -6.448 -2.406 11.850 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -8.248 -0.793 12.415 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -9.324 -2.105 12.855 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.522 -2.838 14.562 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.719 -1.314 14.237 1.00 0.00 H new ATOM 0 HE ARG A 88 -9.566 -0.994 14.899 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.271 -1.345 16.044 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.585 -0.554 17.592 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.963 0.024 16.891 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.660 0.216 18.069 1.00 0.00 H new ATOM 1478 N VAL A 89 -7.286 -2.674 8.296 1.00 0.00 N ATOM 1479 CA VAL A 89 -6.380 -2.965 7.198 1.00 0.00 C ATOM 1480 C VAL A 89 -5.214 -1.976 7.126 1.00 0.00 C ATOM 1481 O VAL A 89 -5.337 -0.806 7.495 1.00 0.00 O ATOM 1482 CB VAL A 89 -7.159 -2.950 5.887 1.00 0.00 C ATOM 1483 CG1 VAL A 89 -6.513 -3.900 4.868 1.00 0.00 C ATOM 1484 CG2 VAL A 89 -8.603 -3.386 6.143 1.00 0.00 C ATOM 0 H VAL A 89 -8.075 -2.075 8.052 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.951 -3.952 7.372 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.145 -1.937 5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.081 -3.877 3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.488 -3.584 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.511 -4.914 5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.158 -3.375 5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.611 -4.394 6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.070 -2.700 6.850 1.00 0.00 H new ATOM 1494 N THR A 90 -4.084 -2.472 6.632 1.00 0.00 N ATOM 1495 CA THR A 90 -2.879 -1.666 6.488 1.00 0.00 C ATOM 1496 C THR A 90 -2.163 -2.056 5.195 1.00 0.00 C ATOM 1497 O THR A 90 -1.838 -3.222 4.985 1.00 0.00 O ATOM 1498 CB THR A 90 -1.969 -1.888 7.711 1.00 0.00 C ATOM 1499 OG1 THR A 90 -2.426 -1.078 8.784 1.00 0.00 O ATOM 1500 CG2 THR A 90 -0.519 -1.518 7.384 1.00 0.00 C ATOM 0 H THR A 90 -3.979 -3.438 6.322 1.00 0.00 H new ATOM 0 HA THR A 90 -3.137 -0.608 6.436 1.00 0.00 H new ATOM 0 HB THR A 90 -2.007 -2.941 7.988 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.852 -1.216 9.566 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.105 -1.683 8.262 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.161 -2.139 6.563 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.468 -0.469 7.094 1.00 0.00 H new ATOM 1508 N CYS A 91 -1.934 -1.081 4.322 1.00 0.00 N ATOM 1509 CA CYS A 91 -1.272 -1.346 3.046 1.00 0.00 C ATOM 1510 C CYS A 91 0.097 -0.669 2.981 1.00 0.00 C ATOM 1511 O CYS A 91 0.207 0.548 3.119 1.00 0.00 O ATOM 1512 CB CYS A 91 -2.152 -0.841 1.902 1.00 0.00 C ATOM 1513 SG CYS A 91 -1.624 -1.616 0.356 1.00 0.00 S ATOM 0 H CYS A 91 -2.194 -0.106 4.471 1.00 0.00 H new ATOM 0 HA CYS A 91 -1.122 -2.422 2.953 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -3.198 -1.076 2.101 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -2.078 0.244 1.822 1.00 0.00 H new ATOM 0 HG CYS A 91 -0.472 -1.131 -0.001 1.00 0.00 H new ATOM 1519 N PHE A 92 1.134 -1.475 2.758 1.00 0.00 N ATOM 1520 CA PHE A 92 2.501 -0.963 2.661 1.00 0.00 C ATOM 1521 C PHE A 92 2.979 -1.026 1.212 1.00 0.00 C ATOM 1522 O PHE A 92 3.330 -2.095 0.713 1.00 0.00 O ATOM 1523 CB PHE A 92 3.434 -1.801 3.540 1.00 0.00 C ATOM 1524 CG PHE A 92 3.177 -1.551 5.008 1.00 0.00 C ATOM 1525 CD1 PHE A 92 3.583 -0.358 5.612 1.00 0.00 C ATOM 1526 CD2 PHE A 92 2.549 -2.538 5.769 1.00 0.00 C ATOM 1527 CE1 PHE A 92 3.358 -0.156 6.981 1.00 0.00 C ATOM 1528 CE2 PHE A 92 2.322 -2.337 7.136 1.00 0.00 C ATOM 1529 CZ PHE A 92 2.727 -1.145 7.742 1.00 0.00 C ATOM 0 H PHE A 92 1.054 -2.485 2.641 1.00 0.00 H new ATOM 0 HA PHE A 92 2.514 0.072 3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.292 -2.859 3.319 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.471 -1.562 3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.069 0.407 5.025 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.237 -3.460 5.302 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.673 0.765 7.449 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.834 -3.103 7.721 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.553 -0.988 8.796 1.00 0.00 H new ATOM 1539 N THR A 93 2.983 0.123 0.536 1.00 0.00 N ATOM 1540 CA THR A 93 3.413 0.173 -0.860 1.00 0.00 C ATOM 1541 C THR A 93 4.194 1.453 -1.136 1.00 0.00 C ATOM 1542 O THR A 93 4.297 2.322 -0.274 1.00 0.00 O ATOM 1543 CB THR A 93 2.197 0.099 -1.788 1.00 0.00 C ATOM 1544 OG1 THR A 93 1.342 -0.952 -1.363 1.00 0.00 O ATOM 1545 CG2 THR A 93 2.657 -0.164 -3.225 1.00 0.00 C ATOM 0 H THR A 93 2.697 1.021 0.927 1.00 0.00 H new ATOM 0 HA THR A 93 4.063 -0.681 -1.050 1.00 0.00 H new ATOM 0 HB THR A 93 1.658 1.045 -1.752 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.563 -0.999 -1.955 1.00 0.00 H new ATOM 0 HG21 THR A 93 1.788 -0.216 -3.881 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.311 0.645 -3.552 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.200 -1.108 -3.266 1.00 0.00 H new ATOM 1553 N SER A 94 4.755 1.556 -2.338 1.00 0.00 N ATOM 1554 CA SER A 94 5.530 2.734 -2.709 1.00 0.00 C ATOM 1555 C SER A 94 4.642 3.797 -3.353 1.00 0.00 C ATOM 1556 O SER A 94 4.885 4.994 -3.194 1.00 0.00 O ATOM 1557 CB SER A 94 6.644 2.348 -3.682 1.00 0.00 C ATOM 1558 OG SER A 94 7.326 3.522 -4.103 1.00 0.00 O ATOM 0 H SER A 94 4.688 0.844 -3.065 1.00 0.00 H new ATOM 0 HA SER A 94 5.965 3.147 -1.799 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.341 1.661 -3.202 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.226 1.827 -4.544 1.00 0.00 H new ATOM 0 HG SER A 94 8.042 3.279 -4.726 1.00 0.00 H new ATOM 1564 N TRP A 95 3.619 3.360 -4.090 1.00 0.00 N ATOM 1565 CA TRP A 95 2.719 4.301 -4.759 1.00 0.00 C ATOM 1566 C TRP A 95 1.379 4.416 -4.034 1.00 0.00 C ATOM 1567 O TRP A 95 0.842 3.435 -3.519 1.00 0.00 O ATOM 1568 CB TRP A 95 2.482 3.875 -6.213 1.00 0.00 C ATOM 1569 CG TRP A 95 2.146 2.424 -6.282 1.00 0.00 C ATOM 1570 CD1 TRP A 95 3.031 1.434 -6.097 1.00 0.00 C ATOM 1571 CD2 TRP A 95 0.866 1.785 -6.562 1.00 0.00 C ATOM 1572 NE1 TRP A 95 2.383 0.218 -6.231 1.00 0.00 N ATOM 1573 CE2 TRP A 95 1.049 0.385 -6.521 1.00 0.00 C ATOM 1574 CE3 TRP A 95 -0.424 2.271 -6.844 1.00 0.00 C ATOM 1575 CZ2 TRP A 95 -0.002 -0.498 -6.746 1.00 0.00 C ATOM 1576 CZ3 TRP A 95 -1.485 1.378 -7.072 1.00 0.00 C ATOM 1577 CH2 TRP A 95 -1.271 -0.002 -7.022 1.00 0.00 C ATOM 0 H TRP A 95 3.395 2.376 -4.238 1.00 0.00 H new ATOM 0 HA TRP A 95 3.201 5.278 -4.740 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.671 4.463 -6.643 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.373 4.077 -6.808 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.081 1.564 -5.879 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.838 -0.689 -6.128 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.600 3.336 -6.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 0.167 -1.564 -6.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.472 1.761 -7.287 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.091 -0.683 -7.198 1.00 0.00 H new ATOM 1588 N SER A 96 0.852 5.635 -4.021 1.00 0.00 N ATOM 1589 CA SER A 96 -0.428 5.935 -3.388 1.00 0.00 C ATOM 1590 C SER A 96 -1.565 5.438 -4.292 1.00 0.00 C ATOM 1591 O SER A 96 -1.296 4.727 -5.255 1.00 0.00 O ATOM 1592 CB SER A 96 -0.503 7.444 -3.151 1.00 0.00 C ATOM 1593 OG SER A 96 -1.185 8.064 -4.234 1.00 0.00 O ATOM 0 H SER A 96 1.300 6.445 -4.450 1.00 0.00 H new ATOM 0 HA SER A 96 -0.525 5.429 -2.428 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.023 7.650 -2.215 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.501 7.858 -3.056 1.00 0.00 H new ATOM 0 HG SER A 96 -1.597 8.898 -3.927 1.00 0.00 H new ATOM 1599 N PRO A 97 -2.817 5.749 -4.020 1.00 0.00 N ATOM 1600 CA PRO A 97 -3.935 5.253 -4.864 1.00 0.00 C ATOM 1601 C PRO A 97 -4.104 6.123 -6.098 1.00 0.00 C ATOM 1602 O PRO A 97 -3.151 6.767 -6.536 1.00 0.00 O ATOM 1603 CB PRO A 97 -5.134 5.349 -3.936 1.00 0.00 C ATOM 1604 CG PRO A 97 -4.850 6.536 -3.088 1.00 0.00 C ATOM 1605 CD PRO A 97 -3.327 6.604 -2.927 1.00 0.00 C ATOM 0 HA PRO A 97 -3.781 4.244 -5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.061 5.473 -4.496 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -5.244 4.447 -3.334 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.232 7.445 -3.553 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.339 6.445 -2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.961 7.627 -3.016 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.011 6.236 -1.951 1.00 0.00 H new ATOM 1613 N CYS A 98 -5.304 6.160 -6.662 1.00 0.00 N ATOM 1614 CA CYS A 98 -5.521 6.983 -7.842 1.00 0.00 C ATOM 1615 C CYS A 98 -6.965 7.464 -7.937 1.00 0.00 C ATOM 1616 O CYS A 98 -7.887 6.817 -7.460 1.00 0.00 O ATOM 1617 CB CYS A 98 -5.155 6.208 -9.107 1.00 0.00 C ATOM 1618 SG CYS A 98 -3.891 4.969 -8.722 1.00 0.00 S ATOM 0 H CYS A 98 -6.121 5.645 -6.333 1.00 0.00 H new ATOM 0 HA CYS A 98 -4.877 7.857 -7.751 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.041 5.722 -9.516 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.786 6.893 -9.870 1.00 0.00 H new ATOM 0 HG CYS A 98 -2.967 5.507 -7.982 1.00 0.00 H new ATOM 1623 N PHE A 99 -7.131 8.614 -8.565 1.00 0.00 N ATOM 1624 CA PHE A 99 -8.441 9.226 -8.740 1.00 0.00 C ATOM 1625 C PHE A 99 -9.550 8.206 -8.974 1.00 0.00 C ATOM 1626 O PHE A 99 -10.618 8.290 -8.372 1.00 0.00 O ATOM 1627 CB PHE A 99 -8.389 10.183 -9.925 1.00 0.00 C ATOM 1628 CG PHE A 99 -8.358 9.417 -11.225 1.00 0.00 C ATOM 1629 CD1 PHE A 99 -7.218 8.687 -11.582 1.00 0.00 C ATOM 1630 CD2 PHE A 99 -9.464 9.454 -12.083 1.00 0.00 C ATOM 1631 CE1 PHE A 99 -7.185 7.993 -12.797 1.00 0.00 C ATOM 1632 CE2 PHE A 99 -9.430 8.761 -13.298 1.00 0.00 C ATOM 1633 CZ PHE A 99 -8.291 8.030 -13.657 1.00 0.00 C ATOM 0 H PHE A 99 -6.364 9.152 -8.969 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.676 9.752 -7.815 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.257 10.842 -9.906 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.506 10.817 -9.849 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.365 8.659 -10.920 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -10.343 10.017 -11.807 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.306 7.428 -13.072 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.283 8.790 -13.960 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.265 7.496 -14.595 1.00 0.00 H new ATOM 1643 N SER A 100 -9.307 7.274 -9.879 1.00 0.00 N ATOM 1644 CA SER A 100 -10.316 6.274 -10.220 1.00 0.00 C ATOM 1645 C SER A 100 -10.426 5.165 -9.174 1.00 0.00 C ATOM 1646 O SER A 100 -11.464 5.012 -8.525 1.00 0.00 O ATOM 1647 CB SER A 100 -9.994 5.658 -11.584 1.00 0.00 C ATOM 1648 OG SER A 100 -11.206 5.431 -12.292 1.00 0.00 O ATOM 0 H SER A 100 -8.429 7.185 -10.390 1.00 0.00 H new ATOM 0 HA SER A 100 -11.277 6.788 -10.251 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.346 6.324 -12.153 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.453 4.720 -11.455 1.00 0.00 H new ATOM 0 HG SER A 100 -11.005 5.038 -13.167 1.00 0.00 H new ATOM 1654 N CYS A 101 -9.369 4.373 -9.032 1.00 0.00 N ATOM 1655 CA CYS A 101 -9.409 3.266 -8.079 1.00 0.00 C ATOM 1656 C CYS A 101 -9.461 3.779 -6.645 1.00 0.00 C ATOM 1657 O CYS A 101 -9.760 3.021 -5.720 1.00 0.00 O ATOM 1658 CB CYS A 101 -8.212 2.317 -8.275 1.00 0.00 C ATOM 1659 SG CYS A 101 -6.992 3.071 -9.358 1.00 0.00 S ATOM 0 H CYS A 101 -8.495 4.470 -9.549 1.00 0.00 H new ATOM 0 HA CYS A 101 -10.321 2.700 -8.270 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -7.760 2.087 -7.310 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -8.553 1.373 -8.701 1.00 0.00 H new ATOM 0 HG CYS A 101 -5.874 2.413 -9.277 1.00 0.00 H new ATOM 1664 N ALA A 102 -9.212 5.069 -6.455 1.00 0.00 N ATOM 1665 CA ALA A 102 -9.284 5.622 -5.109 1.00 0.00 C ATOM 1666 C ALA A 102 -10.742 5.724 -4.727 1.00 0.00 C ATOM 1667 O ALA A 102 -11.152 5.277 -3.658 1.00 0.00 O ATOM 1668 CB ALA A 102 -8.629 7.005 -5.020 1.00 0.00 C ATOM 0 H ALA A 102 -8.966 5.733 -7.189 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.741 4.966 -4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.706 7.379 -3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.578 6.929 -5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.136 7.692 -5.697 1.00 0.00 H new ATOM 1674 N GLN A 103 -11.526 6.282 -5.633 1.00 0.00 N ATOM 1675 CA GLN A 103 -12.948 6.400 -5.409 1.00 0.00 C ATOM 1676 C GLN A 103 -13.500 5.039 -5.055 1.00 0.00 C ATOM 1677 O GLN A 103 -14.028 4.838 -3.963 1.00 0.00 O ATOM 1678 CB GLN A 103 -13.620 6.904 -6.673 1.00 0.00 C ATOM 1679 CG GLN A 103 -13.398 8.401 -6.774 1.00 0.00 C ATOM 1680 CD GLN A 103 -14.157 8.966 -7.968 1.00 0.00 C ATOM 1681 OE1 GLN A 103 -13.788 8.718 -9.116 1.00 0.00 O ATOM 1682 NE2 GLN A 103 -15.206 9.717 -7.766 1.00 0.00 N ATOM 0 H GLN A 103 -11.200 6.657 -6.524 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.138 7.101 -4.597 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -13.208 6.400 -7.547 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -14.687 6.680 -6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.732 8.888 -5.858 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.334 8.612 -6.877 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -15.511 9.922 -6.814 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -15.720 10.099 -8.560 1.00 0.00 H new ATOM 1691 N GLU A 104 -13.340 4.098 -5.989 1.00 0.00 N ATOM 1692 CA GLU A 104 -13.801 2.726 -5.775 1.00 0.00 C ATOM 1693 C GLU A 104 -13.640 2.376 -4.304 1.00 0.00 C ATOM 1694 O GLU A 104 -14.618 2.161 -3.585 1.00 0.00 O ATOM 1695 CB GLU A 104 -12.981 1.766 -6.639 1.00 0.00 C ATOM 1696 CG GLU A 104 -13.574 1.714 -8.049 1.00 0.00 C ATOM 1697 CD GLU A 104 -12.864 0.645 -8.874 1.00 0.00 C ATOM 1698 OE1 GLU A 104 -12.459 -0.349 -8.297 1.00 0.00 O ATOM 1699 OE2 GLU A 104 -12.737 0.839 -10.073 1.00 0.00 O ATOM 0 H GLU A 104 -12.898 4.260 -6.894 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.850 2.638 -6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.943 2.095 -6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.982 0.770 -6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -14.641 1.496 -7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -13.471 2.686 -8.532 1.00 0.00 H new ATOM 1706 N MET A 105 -12.397 2.369 -3.854 1.00 0.00 N ATOM 1707 CA MET A 105 -12.108 2.103 -2.467 1.00 0.00 C ATOM 1708 C MET A 105 -12.916 3.072 -1.595 1.00 0.00 C ATOM 1709 O MET A 105 -13.835 2.643 -0.904 1.00 0.00 O ATOM 1710 CB MET A 105 -10.590 2.229 -2.273 1.00 0.00 C ATOM 1711 CG MET A 105 -10.058 1.237 -1.227 1.00 0.00 C ATOM 1712 SD MET A 105 -10.111 1.988 0.416 1.00 0.00 S ATOM 1713 CE MET A 105 -8.874 3.270 0.108 1.00 0.00 C ATOM 0 H MET A 105 -11.576 2.545 -4.433 1.00 0.00 H new ATOM 0 HA MET A 105 -12.401 1.097 -2.168 1.00 0.00 H new ATOM 0 HB2 MET A 105 -10.088 2.056 -3.225 1.00 0.00 H new ATOM 0 HB3 MET A 105 -10.347 3.246 -1.964 1.00 0.00 H new ATOM 0 HG2 MET A 105 -10.657 0.326 -1.239 1.00 0.00 H new ATOM 0 HG3 MET A 105 -9.036 0.950 -1.472 1.00 0.00 H new ATOM 0 HE1 MET A 105 -8.215 3.355 0.972 1.00 0.00 H new ATOM 0 HE2 MET A 105 -8.287 3.005 -0.771 1.00 0.00 H new ATOM 0 HE3 MET A 105 -9.373 4.224 -0.063 1.00 0.00 H new ATOM 1723 N ALA A 106 -12.611 4.371 -1.647 1.00 0.00 N ATOM 1724 CA ALA A 106 -13.365 5.345 -0.847 1.00 0.00 C ATOM 1725 C ALA A 106 -14.829 4.923 -0.669 1.00 0.00 C ATOM 1726 O ALA A 106 -15.314 4.821 0.441 1.00 0.00 O ATOM 1727 CB ALA A 106 -13.368 6.715 -1.517 1.00 0.00 C ATOM 0 H ALA A 106 -11.866 4.768 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.870 5.390 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.933 7.418 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.343 7.070 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -13.830 6.638 -2.501 1.00 0.00 H new ATOM 1733 N LYS A 107 -15.552 4.683 -1.758 1.00 0.00 N ATOM 1734 CA LYS A 107 -16.945 4.283 -1.610 1.00 0.00 C ATOM 1735 C LYS A 107 -17.049 3.226 -0.544 1.00 0.00 C ATOM 1736 O LYS A 107 -17.553 3.459 0.553 1.00 0.00 O ATOM 1737 CB LYS A 107 -17.453 3.681 -2.901 1.00 0.00 C ATOM 1738 CG LYS A 107 -17.718 4.790 -3.938 1.00 0.00 C ATOM 1739 CD LYS A 107 -16.951 4.494 -5.218 1.00 0.00 C ATOM 1740 CE LYS A 107 -17.588 3.300 -5.919 1.00 0.00 C ATOM 1741 NZ LYS A 107 -18.947 3.672 -6.404 1.00 0.00 N ATOM 0 H LYS A 107 -15.213 4.755 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 107 -17.532 5.163 -1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -16.722 2.974 -3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -18.370 3.122 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -18.785 4.855 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -17.413 5.756 -3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -16.964 5.365 -5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -15.906 4.282 -4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -16.966 2.983 -6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -17.654 2.455 -5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.200 3.077 -7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -19.639 3.527 -5.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -18.952 4.672 -6.691 1.00 0.00 H new ATOM 1755 N PHE A 108 -16.548 2.062 -0.896 1.00 0.00 N ATOM 1756 CA PHE A 108 -16.556 0.931 0.015 1.00 0.00 C ATOM 1757 C PHE A 108 -16.335 1.412 1.447 1.00 0.00 C ATOM 1758 O PHE A 108 -16.850 0.835 2.405 1.00 0.00 O ATOM 1759 CB PHE A 108 -15.445 -0.030 -0.386 1.00 0.00 C ATOM 1760 CG PHE A 108 -15.972 -0.928 -1.462 1.00 0.00 C ATOM 1761 CD1 PHE A 108 -16.326 -0.396 -2.704 1.00 0.00 C ATOM 1762 CD2 PHE A 108 -16.139 -2.281 -1.200 1.00 0.00 C ATOM 1763 CE1 PHE A 108 -16.851 -1.229 -3.691 1.00 0.00 C ATOM 1764 CE2 PHE A 108 -16.659 -3.121 -2.183 1.00 0.00 C ATOM 1765 CZ PHE A 108 -17.018 -2.598 -3.433 1.00 0.00 C ATOM 0 H PHE A 108 -16.129 1.871 -1.806 1.00 0.00 H new ATOM 0 HA PHE A 108 -17.520 0.424 -0.037 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -14.575 0.522 -0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -15.120 -0.616 0.474 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -16.193 0.658 -2.899 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.866 -2.682 -0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -17.128 -0.821 -4.652 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -16.785 -4.175 -1.982 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.422 -3.247 -4.196 1.00 0.00 H new ATOM 1775 N ILE A 109 -15.544 2.472 1.565 1.00 0.00 N ATOM 1776 CA ILE A 109 -15.203 3.060 2.842 1.00 0.00 C ATOM 1777 C ILE A 109 -16.272 4.078 3.273 1.00 0.00 C ATOM 1778 O ILE A 109 -17.024 3.839 4.217 1.00 0.00 O ATOM 1779 CB ILE A 109 -13.835 3.723 2.658 1.00 0.00 C ATOM 1780 CG1 ILE A 109 -12.749 2.705 2.892 1.00 0.00 C ATOM 1781 CG2 ILE A 109 -13.633 4.880 3.610 1.00 0.00 C ATOM 1782 CD1 ILE A 109 -12.795 1.661 1.788 1.00 0.00 C ATOM 0 H ILE A 109 -15.121 2.947 0.767 1.00 0.00 H new ATOM 0 HA ILE A 109 -15.162 2.309 3.631 1.00 0.00 H new ATOM 0 HB ILE A 109 -13.791 4.109 1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.774 3.193 2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.883 2.230 3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -12.650 5.320 3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -14.402 5.633 3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -13.702 4.522 4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -12.011 0.922 1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -13.767 1.167 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.641 2.144 0.823 1.00 0.00 H new ATOM 1794 N SER A 110 -16.330 5.205 2.569 1.00 0.00 N ATOM 1795 CA SER A 110 -17.301 6.254 2.863 1.00 0.00 C ATOM 1796 C SER A 110 -18.690 5.656 3.042 1.00 0.00 C ATOM 1797 O SER A 110 -19.413 5.995 3.978 1.00 0.00 O ATOM 1798 CB SER A 110 -17.326 7.268 1.713 1.00 0.00 C ATOM 1799 OG SER A 110 -18.612 7.267 1.103 1.00 0.00 O ATOM 0 H SER A 110 -15.711 5.416 1.786 1.00 0.00 H new ATOM 0 HA SER A 110 -17.009 6.753 3.787 1.00 0.00 H new ATOM 0 HB2 SER A 110 -17.091 8.264 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 110 -16.563 7.017 0.976 1.00 0.00 H new ATOM 0 HG SER A 110 -18.627 7.917 0.370 1.00 0.00 H new ATOM 1805 N LYS A 111 -19.048 4.758 2.134 1.00 0.00 N ATOM 1806 CA LYS A 111 -20.345 4.103 2.185 1.00 0.00 C ATOM 1807 C LYS A 111 -20.450 3.276 3.455 1.00 0.00 C ATOM 1808 O LYS A 111 -21.511 3.193 4.075 1.00 0.00 O ATOM 1809 CB LYS A 111 -20.506 3.188 0.976 1.00 0.00 C ATOM 1810 CG LYS A 111 -20.429 3.956 -0.362 1.00 0.00 C ATOM 1811 CD LYS A 111 -20.958 5.398 -0.265 1.00 0.00 C ATOM 1812 CE LYS A 111 -22.445 5.405 0.118 1.00 0.00 C ATOM 1813 NZ LYS A 111 -23.270 5.598 -1.110 1.00 0.00 N ATOM 0 H LYS A 111 -18.458 4.468 1.354 1.00 0.00 H new ATOM 0 HA LYS A 111 -21.128 4.861 2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -19.730 2.423 0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -21.464 2.672 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -19.394 3.978 -0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -21.001 3.416 -1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -20.383 5.952 0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -20.821 5.906 -1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -22.711 4.467 0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -22.644 6.203 0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -24.278 5.603 -0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -23.022 6.504 -1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -23.086 4.822 -1.777 1.00 0.00 H new ATOM 1827 N ASN A 112 -19.334 2.674 3.840 1.00 0.00 N ATOM 1828 CA ASN A 112 -19.291 1.859 5.045 1.00 0.00 C ATOM 1829 C ASN A 112 -17.955 2.037 5.763 1.00 0.00 C ATOM 1830 O ASN A 112 -17.029 1.245 5.581 1.00 0.00 O ATOM 1831 CB ASN A 112 -19.498 0.385 4.694 1.00 0.00 C ATOM 1832 CG ASN A 112 -20.934 0.155 4.235 1.00 0.00 C ATOM 1833 OD1 ASN A 112 -21.163 -0.323 3.123 1.00 0.00 O ATOM 1834 ND2 ASN A 112 -21.922 0.467 5.030 1.00 0.00 N ATOM 0 H ASN A 112 -18.449 2.734 3.337 1.00 0.00 H new ATOM 0 HA ASN A 112 -20.093 2.183 5.708 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -18.804 0.089 3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -19.281 -0.238 5.562 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -22.885 0.315 4.731 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -21.731 0.863 5.950 1.00 0.00 H new ATOM 1841 N LYS A 113 -17.866 3.084 6.578 1.00 0.00 N ATOM 1842 CA LYS A 113 -16.642 3.372 7.324 1.00 0.00 C ATOM 1843 C LYS A 113 -16.176 2.137 8.099 1.00 0.00 C ATOM 1844 O LYS A 113 -15.120 2.150 8.730 1.00 0.00 O ATOM 1845 CB LYS A 113 -16.868 4.552 8.284 1.00 0.00 C ATOM 1846 CG LYS A 113 -18.261 5.146 8.056 1.00 0.00 C ATOM 1847 CD LYS A 113 -18.379 5.694 6.617 1.00 0.00 C ATOM 1848 CE LYS A 113 -18.364 7.228 6.630 1.00 0.00 C ATOM 1849 NZ LYS A 113 -17.013 7.712 7.031 1.00 0.00 N ATOM 0 H LYS A 113 -18.624 3.747 6.739 1.00 0.00 H new ATOM 0 HA LYS A 113 -15.862 3.643 6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -16.770 4.217 9.317 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -16.106 5.315 8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -19.021 4.384 8.226 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -18.445 5.946 8.774 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -17.555 5.320 6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -19.301 5.336 6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -18.621 7.612 5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -19.116 7.603 7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -16.990 8.751 6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -16.806 7.399 8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -16.299 7.324 6.382 1.00 0.00 H new ATOM 1863 N HIS A 114 -16.975 1.078 8.043 1.00 0.00 N ATOM 1864 CA HIS A 114 -16.653 -0.165 8.737 1.00 0.00 C ATOM 1865 C HIS A 114 -15.230 -0.630 8.417 1.00 0.00 C ATOM 1866 O HIS A 114 -14.767 -1.641 8.945 1.00 0.00 O ATOM 1867 CB HIS A 114 -17.649 -1.246 8.305 1.00 0.00 C ATOM 1868 CG HIS A 114 -17.795 -2.284 9.384 1.00 0.00 C ATOM 1869 ND1 HIS A 114 -17.796 -3.641 9.101 1.00 0.00 N ATOM 1870 CD2 HIS A 114 -17.962 -2.184 10.743 1.00 0.00 C ATOM 1871 CE1 HIS A 114 -17.960 -4.297 10.263 1.00 0.00 C ATOM 1872 NE2 HIS A 114 -18.067 -3.457 11.296 1.00 0.00 N ATOM 0 H HIS A 114 -17.852 1.054 7.523 1.00 0.00 H new ATOM 0 HA HIS A 114 -16.718 0.010 9.811 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -18.618 -0.793 8.093 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -17.308 -1.716 7.383 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -18.005 -1.259 11.298 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -18.000 -5.373 10.351 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -18.198 -3.697 12.279 1.00 0.00 H new ATOM 1881 N VAL A 115 -14.548 0.100 7.535 1.00 0.00 N ATOM 1882 CA VAL A 115 -13.192 -0.255 7.132 1.00 0.00 C ATOM 1883 C VAL A 115 -12.195 0.831 7.549 1.00 0.00 C ATOM 1884 O VAL A 115 -12.533 2.013 7.607 1.00 0.00 O ATOM 1885 CB VAL A 115 -13.189 -0.454 5.601 1.00 0.00 C ATOM 1886 CG1 VAL A 115 -11.884 0.021 4.983 1.00 0.00 C ATOM 1887 CG2 VAL A 115 -13.351 -1.932 5.260 1.00 0.00 C ATOM 0 H VAL A 115 -14.914 0.940 7.087 1.00 0.00 H new ATOM 0 HA VAL A 115 -12.882 -1.175 7.627 1.00 0.00 H new ATOM 0 HB VAL A 115 -14.019 0.129 5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -11.915 -0.133 3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -11.746 1.081 5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -11.054 -0.544 5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -13.347 -2.058 4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -12.527 -2.498 5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.295 -2.297 5.665 1.00 0.00 H new ATOM 1897 N SER A 116 -10.954 0.413 7.810 1.00 0.00 N ATOM 1898 CA SER A 116 -9.898 1.351 8.190 1.00 0.00 C ATOM 1899 C SER A 116 -8.601 1.032 7.442 1.00 0.00 C ATOM 1900 O SER A 116 -7.916 0.062 7.765 1.00 0.00 O ATOM 1901 CB SER A 116 -9.646 1.275 9.695 1.00 0.00 C ATOM 1902 OG SER A 116 -10.797 1.734 10.390 1.00 0.00 O ATOM 0 H SER A 116 -10.658 -0.562 7.765 1.00 0.00 H new ATOM 0 HA SER A 116 -10.223 2.357 7.925 1.00 0.00 H new ATOM 0 HB2 SER A 116 -9.417 0.250 9.985 1.00 0.00 H new ATOM 0 HB3 SER A 116 -8.781 1.882 9.961 1.00 0.00 H new ATOM 0 HG SER A 116 -10.638 1.684 11.356 1.00 0.00 H new ATOM 1908 N LEU A 117 -8.264 1.852 6.443 1.00 0.00 N ATOM 1909 CA LEU A 117 -7.046 1.638 5.670 1.00 0.00 C ATOM 1910 C LEU A 117 -5.920 2.531 6.163 1.00 0.00 C ATOM 1911 O LEU A 117 -6.097 3.739 6.324 1.00 0.00 O ATOM 1912 CB LEU A 117 -7.241 1.982 4.191 1.00 0.00 C ATOM 1913 CG LEU A 117 -8.430 1.256 3.550 1.00 0.00 C ATOM 1914 CD1 LEU A 117 -8.624 -0.155 4.105 1.00 0.00 C ATOM 1915 CD2 LEU A 117 -9.693 2.061 3.764 1.00 0.00 C ATOM 0 H LEU A 117 -8.814 2.662 6.155 1.00 0.00 H new ATOM 0 HA LEU A 117 -6.802 0.583 5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -7.385 3.058 4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -6.333 1.730 3.644 1.00 0.00 H new ATOM 0 HG LEU A 117 -8.215 1.161 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -9.479 -0.624 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.729 -0.747 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.803 -0.102 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -10.536 1.543 3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.874 2.177 4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.580 3.044 3.306 1.00 0.00 H new ATOM 1927 N CYS A 118 -4.747 1.945 6.336 1.00 0.00 N ATOM 1928 CA CYS A 118 -3.576 2.710 6.735 1.00 0.00 C ATOM 1929 C CYS A 118 -2.510 2.522 5.665 1.00 0.00 C ATOM 1930 O CYS A 118 -1.738 1.563 5.704 1.00 0.00 O ATOM 1931 CB CYS A 118 -3.060 2.221 8.084 1.00 0.00 C ATOM 1932 SG CYS A 118 -4.150 2.815 9.401 1.00 0.00 S ATOM 0 H CYS A 118 -4.580 0.947 6.207 1.00 0.00 H new ATOM 0 HA CYS A 118 -3.830 3.765 6.836 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -3.018 1.132 8.096 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -2.044 2.581 8.249 1.00 0.00 H new ATOM 0 HG CYS A 118 -3.710 2.396 10.550 1.00 0.00 H new ATOM 1938 N ILE A 119 -2.512 3.414 4.680 1.00 0.00 N ATOM 1939 CA ILE A 119 -1.598 3.317 3.570 1.00 0.00 C ATOM 1940 C ILE A 119 -0.306 4.088 3.762 1.00 0.00 C ATOM 1941 O ILE A 119 -0.314 5.281 4.064 1.00 0.00 O ATOM 1942 CB ILE A 119 -2.304 3.856 2.344 1.00 0.00 C ATOM 1943 CG1 ILE A 119 -3.766 3.372 2.384 1.00 0.00 C ATOM 1944 CG2 ILE A 119 -1.577 3.353 1.094 1.00 0.00 C ATOM 1945 CD1 ILE A 119 -4.350 3.330 0.982 1.00 0.00 C ATOM 0 H ILE A 119 -3.144 4.213 4.637 1.00 0.00 H new ATOM 0 HA ILE A 119 -1.318 2.268 3.472 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.295 4.946 2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -3.815 2.381 2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -4.359 4.037 3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -2.077 3.735 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -0.545 3.702 1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -1.591 2.263 1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -5.383 2.986 1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.319 4.328 0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.767 2.646 0.365 1.00 0.00 H new ATOM 1957 N PHE A 120 0.802 3.404 3.500 1.00 0.00 N ATOM 1958 CA PHE A 120 2.112 4.033 3.553 1.00 0.00 C ATOM 1959 C PHE A 120 2.661 4.027 2.141 1.00 0.00 C ATOM 1960 O PHE A 120 3.110 2.998 1.639 1.00 0.00 O ATOM 1961 CB PHE A 120 3.062 3.274 4.475 1.00 0.00 C ATOM 1962 CG PHE A 120 4.442 3.876 4.356 1.00 0.00 C ATOM 1963 CD1 PHE A 120 4.823 4.927 5.197 1.00 0.00 C ATOM 1964 CD2 PHE A 120 5.337 3.387 3.398 1.00 0.00 C ATOM 1965 CE1 PHE A 120 6.101 5.490 5.081 1.00 0.00 C ATOM 1966 CE2 PHE A 120 6.616 3.948 3.281 1.00 0.00 C ATOM 1967 CZ PHE A 120 6.998 4.998 4.123 1.00 0.00 C ATOM 0 H PHE A 120 0.817 2.415 3.249 1.00 0.00 H new ATOM 0 HA PHE A 120 2.021 5.045 3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.713 3.331 5.506 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.086 2.218 4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.132 5.305 5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.042 2.576 2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 120 6.395 6.302 5.729 1.00 0.00 H new ATOM 0 HE2 PHE A 120 7.306 3.570 2.541 1.00 0.00 H new ATOM 0 HZ PHE A 120 7.984 5.429 4.035 1.00 0.00 H new ATOM 1977 N THR A 121 2.572 5.173 1.494 1.00 0.00 N ATOM 1978 CA THR A 121 3.008 5.307 0.114 1.00 0.00 C ATOM 1979 C THR A 121 4.256 6.185 0.027 1.00 0.00 C ATOM 1980 O THR A 121 4.251 7.341 0.448 1.00 0.00 O ATOM 1981 CB THR A 121 1.847 5.888 -0.716 1.00 0.00 C ATOM 1982 OG1 THR A 121 2.234 7.135 -1.274 1.00 0.00 O ATOM 1983 CG2 THR A 121 0.614 6.082 0.184 1.00 0.00 C ATOM 0 H THR A 121 2.200 6.030 1.903 1.00 0.00 H new ATOM 0 HA THR A 121 3.277 4.330 -0.288 1.00 0.00 H new ATOM 0 HB THR A 121 1.599 5.197 -1.521 1.00 0.00 H new ATOM 0 HG1 THR A 121 2.340 7.041 -2.244 1.00 0.00 H new ATOM 0 HG21 THR A 121 -0.206 6.493 -0.405 1.00 0.00 H new ATOM 0 HG22 THR A 121 0.314 5.121 0.602 1.00 0.00 H new ATOM 0 HG23 THR A 121 0.859 6.769 0.994 1.00 0.00 H new ATOM 1991 N ALA A 122 5.334 5.604 -0.499 1.00 0.00 N ATOM 1992 CA ALA A 122 6.609 6.308 -0.618 1.00 0.00 C ATOM 1993 C ALA A 122 6.477 7.601 -1.421 1.00 0.00 C ATOM 1994 O ALA A 122 6.701 8.687 -0.888 1.00 0.00 O ATOM 1995 CB ALA A 122 7.645 5.400 -1.279 1.00 0.00 C ATOM 0 H ALA A 122 5.349 4.646 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 122 6.932 6.572 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 122 8.593 5.931 -1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.784 4.505 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.298 5.115 -2.272 1.00 0.00 H new ATOM 2001 N ARG A 123 6.135 7.489 -2.703 1.00 0.00 N ATOM 2002 CA ARG A 123 6.007 8.682 -3.537 1.00 0.00 C ATOM 2003 C ARG A 123 5.194 8.411 -4.800 1.00 0.00 C ATOM 2004 O ARG A 123 5.110 7.278 -5.272 1.00 0.00 O ATOM 2005 CB ARG A 123 7.400 9.196 -3.923 1.00 0.00 C ATOM 2006 CG ARG A 123 8.235 8.058 -4.542 1.00 0.00 C ATOM 2007 CD ARG A 123 8.291 8.214 -6.065 1.00 0.00 C ATOM 2008 NE ARG A 123 9.015 7.097 -6.658 1.00 0.00 N ATOM 2009 CZ ARG A 123 9.179 7.006 -7.973 1.00 0.00 C ATOM 2010 NH1 ARG A 123 8.689 7.925 -8.760 1.00 0.00 N ATOM 2011 NH2 ARG A 123 9.831 5.995 -8.478 1.00 0.00 N ATOM 0 H ARG A 123 5.945 6.607 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 123 5.477 9.436 -2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 123 7.308 10.018 -4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 123 7.907 9.591 -3.042 1.00 0.00 H new ATOM 0 HG2 ARG A 123 9.244 8.071 -4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 123 7.798 7.094 -4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.280 8.259 -6.471 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.780 9.153 -6.324 1.00 0.00 H new ATOM 0 HE ARG A 123 9.402 6.373 -6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 123 8.179 8.715 -8.365 1.00 0.00 H new ATOM 0 HH12 ARG A 123 8.816 7.853 -9.769 1.00 0.00 H new ATOM 0 HH21 ARG A 123 10.214 5.277 -7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 123 9.958 5.923 -9.487 1.00 0.00 H new ATOM 2025 N ILE A 124 4.594 9.475 -5.334 1.00 0.00 N ATOM 2026 CA ILE A 124 3.781 9.375 -6.542 1.00 0.00 C ATOM 2027 C ILE A 124 4.109 10.513 -7.502 1.00 0.00 C ATOM 2028 O ILE A 124 3.744 11.664 -7.259 1.00 0.00 O ATOM 2029 CB ILE A 124 2.299 9.444 -6.167 1.00 0.00 C ATOM 2030 CG1 ILE A 124 2.034 10.743 -5.370 1.00 0.00 C ATOM 2031 CG2 ILE A 124 1.945 8.211 -5.335 1.00 0.00 C ATOM 2032 CD1 ILE A 124 0.970 10.515 -4.290 1.00 0.00 C ATOM 0 H ILE A 124 4.657 10.417 -4.947 1.00 0.00 H new ATOM 0 HA ILE A 124 3.998 8.425 -7.031 1.00 0.00 H new ATOM 0 HB ILE A 124 1.677 9.457 -7.062 1.00 0.00 H new ATOM 0 HG12 ILE A 124 2.960 11.086 -4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 124 1.706 11.530 -6.049 1.00 0.00 H new ATOM 0 HG21 ILE A 124 0.891 8.248 -5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 124 2.137 7.311 -5.919 1.00 0.00 H new ATOM 0 HG23 ILE A 124 2.555 8.194 -4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 124 0.802 11.443 -3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 124 0.039 10.195 -4.758 1.00 0.00 H new ATOM 0 HD13 ILE A 124 1.312 9.744 -3.599 1.00 0.00 H new ATOM 2044 N TYR A 125 4.798 10.190 -8.592 1.00 0.00 N ATOM 2045 CA TYR A 125 5.167 11.201 -9.581 1.00 0.00 C ATOM 2046 C TYR A 125 4.338 11.033 -10.852 1.00 0.00 C ATOM 2047 O TYR A 125 4.769 10.379 -11.802 1.00 0.00 O ATOM 2048 CB TYR A 125 6.656 11.083 -9.920 1.00 0.00 C ATOM 2049 CG TYR A 125 7.476 11.837 -8.899 1.00 0.00 C ATOM 2050 CD1 TYR A 125 7.351 11.537 -7.536 1.00 0.00 C ATOM 2051 CD2 TYR A 125 8.363 12.837 -9.315 1.00 0.00 C ATOM 2052 CE1 TYR A 125 8.113 12.236 -6.592 1.00 0.00 C ATOM 2053 CE2 TYR A 125 9.126 13.535 -8.372 1.00 0.00 C ATOM 2054 CZ TYR A 125 9.001 13.235 -7.010 1.00 0.00 C ATOM 2055 OH TYR A 125 9.751 13.923 -6.080 1.00 0.00 O ATOM 0 H TYR A 125 5.111 9.245 -8.813 1.00 0.00 H new ATOM 0 HA TYR A 125 4.969 12.186 -9.158 1.00 0.00 H new ATOM 0 HB2 TYR A 125 6.953 10.034 -9.935 1.00 0.00 H new ATOM 0 HB3 TYR A 125 6.844 11.482 -10.917 1.00 0.00 H new ATOM 0 HD1 TYR A 125 6.667 10.766 -7.213 1.00 0.00 H new ATOM 0 HD2 TYR A 125 8.459 13.070 -10.365 1.00 0.00 H new ATOM 0 HE1 TYR A 125 8.016 12.005 -5.542 1.00 0.00 H new ATOM 0 HE2 TYR A 125 9.811 14.305 -8.695 1.00 0.00 H new ATOM 0 HH TYR A 125 10.704 13.788 -6.264 1.00 0.00 H new ATOM 2065 N ASP A 126 3.146 11.626 -10.863 1.00 0.00 N ATOM 2066 CA ASP A 126 2.259 11.537 -12.022 1.00 0.00 C ATOM 2067 C ASP A 126 1.942 12.928 -12.565 1.00 0.00 C ATOM 2068 O ASP A 126 2.060 13.924 -11.851 1.00 0.00 O ATOM 2069 CB ASP A 126 0.958 10.835 -11.630 1.00 0.00 C ATOM 2070 CG ASP A 126 0.175 10.453 -12.881 1.00 0.00 C ATOM 2071 OD1 ASP A 126 0.607 10.818 -13.962 1.00 0.00 O ATOM 2072 OD2 ASP A 126 -0.848 9.802 -12.741 1.00 0.00 O ATOM 0 H ASP A 126 2.773 12.171 -10.086 1.00 0.00 H new ATOM 0 HA ASP A 126 2.765 10.963 -12.798 1.00 0.00 H new ATOM 0 HB2 ASP A 126 1.179 9.944 -11.043 1.00 0.00 H new ATOM 0 HB3 ASP A 126 0.357 11.491 -11.000 1.00 0.00 H new ATOM 2148 N GLN A 132 -7.182 14.886 -7.701 1.00 0.00 N ATOM 2149 CA GLN A 132 -7.521 15.187 -6.316 1.00 0.00 C ATOM 2150 C GLN A 132 -8.931 14.699 -5.990 1.00 0.00 C ATOM 2151 O GLN A 132 -9.329 14.661 -4.825 1.00 0.00 O ATOM 2152 CB GLN A 132 -7.426 16.697 -6.069 1.00 0.00 C ATOM 2153 CG GLN A 132 -6.407 17.314 -7.029 1.00 0.00 C ATOM 2154 CD GLN A 132 -6.056 18.728 -6.579 1.00 0.00 C ATOM 2155 OE1 GLN A 132 -6.912 19.404 -5.863 1.00 0.00 O flip ATOM 2156 NE2 GLN A 132 -4.976 19.230 -6.889 1.00 0.00 N flip ATOM 0 HA GLN A 132 -6.813 14.670 -5.668 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -8.402 17.161 -6.212 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -7.130 16.889 -5.037 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -5.507 16.700 -7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -6.814 17.336 -8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -4.309 18.699 -7.449 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -4.748 20.177 -6.586 1.00 0.00 H new ATOM 2165 N GLU A 133 -9.684 14.340 -7.025 1.00 0.00 N ATOM 2166 CA GLU A 133 -11.050 13.871 -6.832 1.00 0.00 C ATOM 2167 C GLU A 133 -11.096 12.628 -5.948 1.00 0.00 C ATOM 2168 O GLU A 133 -11.544 12.687 -4.802 1.00 0.00 O ATOM 2169 CB GLU A 133 -11.697 13.566 -8.182 1.00 0.00 C ATOM 2170 CG GLU A 133 -10.804 12.643 -9.009 1.00 0.00 C ATOM 2171 CD GLU A 133 -10.897 12.996 -10.491 1.00 0.00 C ATOM 2172 OE1 GLU A 133 -11.919 13.529 -10.890 1.00 0.00 O ATOM 2173 OE2 GLU A 133 -9.944 12.729 -11.205 1.00 0.00 O ATOM 0 H GLU A 133 -9.375 14.365 -7.997 1.00 0.00 H new ATOM 0 HA GLU A 133 -11.605 14.665 -6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -12.669 13.098 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.872 14.494 -8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -9.771 12.730 -8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -11.103 11.606 -8.857 1.00 0.00 H new ATOM 2180 N GLY A 134 -10.628 11.509 -6.480 1.00 0.00 N ATOM 2181 CA GLY A 134 -10.624 10.263 -5.728 1.00 0.00 C ATOM 2182 C GLY A 134 -9.662 10.346 -4.553 1.00 0.00 C ATOM 2183 O GLY A 134 -10.014 10.015 -3.423 1.00 0.00 O ATOM 0 H GLY A 134 -10.248 11.438 -7.424 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -11.629 10.048 -5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -10.337 9.439 -6.382 1.00 0.00 H new ATOM 2187 N LEU A 135 -8.446 10.791 -4.829 1.00 0.00 N ATOM 2188 CA LEU A 135 -7.433 10.917 -3.789 1.00 0.00 C ATOM 2189 C LEU A 135 -8.036 11.538 -2.528 1.00 0.00 C ATOM 2190 O LEU A 135 -8.097 10.909 -1.475 1.00 0.00 O ATOM 2191 CB LEU A 135 -6.283 11.797 -4.310 1.00 0.00 C ATOM 2192 CG LEU A 135 -4.930 11.121 -4.053 1.00 0.00 C ATOM 2193 CD1 LEU A 135 -3.817 11.940 -4.719 1.00 0.00 C ATOM 2194 CD2 LEU A 135 -4.671 11.036 -2.541 1.00 0.00 C ATOM 0 H LEU A 135 -8.136 11.070 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 135 -7.053 9.927 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -6.410 11.976 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.310 12.769 -3.818 1.00 0.00 H new ATOM 0 HG LEU A 135 -4.943 10.115 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -2.855 11.461 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -3.998 11.995 -5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -3.806 12.947 -4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -3.709 10.555 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -4.659 12.040 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -5.461 10.452 -2.069 1.00 0.00 H new ATOM 2206 N ARG A 136 -8.464 12.786 -2.643 1.00 0.00 N ATOM 2207 CA ARG A 136 -9.045 13.494 -1.517 1.00 0.00 C ATOM 2208 C ARG A 136 -10.252 12.754 -0.946 1.00 0.00 C ATOM 2209 O ARG A 136 -10.553 12.869 0.242 1.00 0.00 O ATOM 2210 CB ARG A 136 -9.478 14.893 -1.970 1.00 0.00 C ATOM 2211 CG ARG A 136 -9.928 15.718 -0.757 1.00 0.00 C ATOM 2212 CD ARG A 136 -11.457 15.704 -0.639 1.00 0.00 C ATOM 2213 NE ARG A 136 -11.856 15.999 0.733 1.00 0.00 N ATOM 2214 CZ ARG A 136 -13.091 15.749 1.158 1.00 0.00 C ATOM 2215 NH1 ARG A 136 -13.968 15.229 0.344 1.00 0.00 N ATOM 2216 NH2 ARG A 136 -13.426 16.024 2.390 1.00 0.00 N ATOM 0 H ARG A 136 -8.419 13.328 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 136 -8.290 13.561 -0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -8.652 15.393 -2.475 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -10.292 14.816 -2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -9.483 15.313 0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -9.574 16.744 -0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -11.889 16.439 -1.318 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -11.844 14.729 -0.937 1.00 0.00 H new ATOM 0 HE ARG A 136 -11.176 16.404 1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -13.706 15.014 -0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -14.915 15.037 0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -12.740 16.431 3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -14.373 15.832 2.716 1.00 0.00 H new ATOM 2230 N THR A 137 -10.957 12.020 -1.798 1.00 0.00 N ATOM 2231 CA THR A 137 -12.147 11.298 -1.373 1.00 0.00 C ATOM 2232 C THR A 137 -11.802 10.042 -0.569 1.00 0.00 C ATOM 2233 O THR A 137 -12.274 9.901 0.544 1.00 0.00 O ATOM 2234 CB THR A 137 -12.995 11.003 -2.623 1.00 0.00 C ATOM 2235 OG1 THR A 137 -13.987 12.011 -2.758 1.00 0.00 O ATOM 2236 CG2 THR A 137 -13.676 9.645 -2.544 1.00 0.00 C ATOM 0 H THR A 137 -10.725 11.910 -2.785 1.00 0.00 H new ATOM 0 HA THR A 137 -12.731 11.910 -0.686 1.00 0.00 H new ATOM 0 HB THR A 137 -12.328 10.993 -3.485 1.00 0.00 H new ATOM 0 HG1 THR A 137 -14.530 11.831 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 137 -14.263 9.479 -3.447 1.00 0.00 H new ATOM 0 HG22 THR A 137 -12.921 8.864 -2.454 1.00 0.00 H new ATOM 0 HG23 THR A 137 -14.332 9.617 -1.674 1.00 0.00 H new ATOM 2244 N LEU A 138 -10.987 9.139 -1.097 1.00 0.00 N ATOM 2245 CA LEU A 138 -10.650 7.935 -0.331 1.00 0.00 C ATOM 2246 C LEU A 138 -9.753 8.272 0.867 1.00 0.00 C ATOM 2247 O LEU A 138 -9.754 7.549 1.860 1.00 0.00 O ATOM 2248 CB LEU A 138 -10.040 6.852 -1.260 1.00 0.00 C ATOM 2249 CG LEU A 138 -8.582 6.603 -0.931 1.00 0.00 C ATOM 2250 CD1 LEU A 138 -8.004 5.517 -1.859 1.00 0.00 C ATOM 2251 CD2 LEU A 138 -7.788 7.910 -1.093 1.00 0.00 C ATOM 0 H LEU A 138 -10.557 9.206 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 138 -11.566 7.515 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -10.602 5.924 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -10.132 7.167 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.503 6.258 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -6.956 5.348 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -8.562 4.590 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -8.084 5.844 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -6.739 7.730 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.873 8.262 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -8.188 8.665 -0.417 1.00 0.00 H new ATOM 2263 N ALA A 139 -9.003 9.366 0.783 1.00 0.00 N ATOM 2264 CA ALA A 139 -8.130 9.751 1.884 1.00 0.00 C ATOM 2265 C ALA A 139 -8.948 10.348 3.024 1.00 0.00 C ATOM 2266 O ALA A 139 -8.638 10.144 4.198 1.00 0.00 O ATOM 2267 CB ALA A 139 -7.092 10.768 1.407 1.00 0.00 C ATOM 0 H ALA A 139 -8.982 9.992 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 139 -7.616 8.860 2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -6.446 11.047 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -6.490 10.328 0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -7.599 11.655 1.028 1.00 0.00 H new ATOM 2273 N GLU A 140 -9.992 11.090 2.668 1.00 0.00 N ATOM 2274 CA GLU A 140 -10.847 11.716 3.664 1.00 0.00 C ATOM 2275 C GLU A 140 -12.020 10.835 4.010 1.00 0.00 C ATOM 2276 O GLU A 140 -12.450 10.762 5.160 1.00 0.00 O ATOM 2277 CB GLU A 140 -11.382 13.016 3.108 1.00 0.00 C ATOM 2278 CG GLU A 140 -10.234 13.999 2.952 1.00 0.00 C ATOM 2279 CD GLU A 140 -9.878 14.605 4.306 1.00 0.00 C ATOM 2280 OE1 GLU A 140 -9.259 13.913 5.097 1.00 0.00 O ATOM 2281 OE2 GLU A 140 -10.233 15.751 4.531 1.00 0.00 O ATOM 0 H GLU A 140 -10.263 11.270 1.701 1.00 0.00 H new ATOM 0 HA GLU A 140 -10.253 11.885 4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -11.863 12.844 2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -12.141 13.426 3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -9.365 13.492 2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -10.512 14.788 2.253 1.00 0.00 H new ATOM 2288 N ALA A 141 -12.547 10.191 2.997 1.00 0.00 N ATOM 2289 CA ALA A 141 -13.694 9.338 3.182 1.00 0.00 C ATOM 2290 C ALA A 141 -13.430 8.313 4.270 1.00 0.00 C ATOM 2291 O ALA A 141 -14.366 7.837 4.913 1.00 0.00 O ATOM 2292 CB ALA A 141 -14.053 8.651 1.875 1.00 0.00 C ATOM 0 H ALA A 141 -12.201 10.241 2.039 1.00 0.00 H new ATOM 0 HA ALA A 141 -14.537 9.954 3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -14.921 8.009 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -14.286 9.403 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -13.210 8.047 1.538 1.00 0.00 H new ATOM 2298 N GLY A 142 -12.161 7.989 4.510 1.00 0.00 N ATOM 2299 CA GLY A 142 -11.865 7.035 5.574 1.00 0.00 C ATOM 2300 C GLY A 142 -10.516 6.344 5.416 1.00 0.00 C ATOM 2301 O GLY A 142 -10.086 5.636 6.327 1.00 0.00 O ATOM 0 H GLY A 142 -11.353 8.355 4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -11.888 7.554 6.532 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -12.650 6.279 5.602 1.00 0.00 H new ATOM 2305 N ALA A 143 -9.833 6.532 4.290 1.00 0.00 N ATOM 2306 CA ALA A 143 -8.537 5.879 4.133 1.00 0.00 C ATOM 2307 C ALA A 143 -7.430 6.735 4.732 1.00 0.00 C ATOM 2308 O ALA A 143 -7.211 7.868 4.299 1.00 0.00 O ATOM 2309 CB ALA A 143 -8.226 5.614 2.660 1.00 0.00 C ATOM 0 H ALA A 143 -10.138 7.106 3.504 1.00 0.00 H new ATOM 0 HA ALA A 143 -8.586 4.926 4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -7.255 5.127 2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -8.994 4.967 2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -8.207 6.559 2.116 1.00 0.00 H new ATOM 2315 N LYS A 144 -6.726 6.190 5.721 1.00 0.00 N ATOM 2316 CA LYS A 144 -5.637 6.916 6.347 1.00 0.00 C ATOM 2317 C LYS A 144 -4.365 6.746 5.542 1.00 0.00 C ATOM 2318 O LYS A 144 -3.772 5.667 5.502 1.00 0.00 O ATOM 2319 CB LYS A 144 -5.418 6.412 7.759 1.00 0.00 C ATOM 2320 CG LYS A 144 -6.713 6.531 8.553 1.00 0.00 C ATOM 2321 CD LYS A 144 -7.175 7.994 8.686 1.00 0.00 C ATOM 2322 CE LYS A 144 -6.010 8.894 9.114 1.00 0.00 C ATOM 2323 NZ LYS A 144 -6.547 10.155 9.698 1.00 0.00 N ATOM 0 H LYS A 144 -6.892 5.257 6.099 1.00 0.00 H new ATOM 0 HA LYS A 144 -5.898 7.974 6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -5.087 5.374 7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -4.629 6.988 8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -7.493 5.947 8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -6.570 6.104 9.546 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -7.578 8.341 7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -7.980 8.061 9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -5.387 8.378 9.845 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -5.376 9.119 8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -5.758 10.767 9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -7.124 10.649 8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -7.135 9.931 10.526 1.00 0.00 H new ATOM 2337 N ILE A 145 -3.966 7.821 4.891 1.00 0.00 N ATOM 2338 CA ILE A 145 -2.772 7.809 4.062 1.00 0.00 C ATOM 2339 C ILE A 145 -1.569 8.334 4.842 1.00 0.00 C ATOM 2340 O ILE A 145 -1.708 9.209 5.696 1.00 0.00 O ATOM 2341 CB ILE A 145 -2.991 8.691 2.830 1.00 0.00 C ATOM 2342 CG1 ILE A 145 -4.453 8.642 2.373 1.00 0.00 C ATOM 2343 CG2 ILE A 145 -2.102 8.215 1.689 1.00 0.00 C ATOM 2344 CD1 ILE A 145 -4.957 7.196 2.328 1.00 0.00 C ATOM 0 H ILE A 145 -4.451 8.718 4.919 1.00 0.00 H new ATOM 0 HA ILE A 145 -2.577 6.781 3.756 1.00 0.00 H new ATOM 0 HB ILE A 145 -2.738 9.716 3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 145 -5.072 9.227 3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 145 -4.546 9.096 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 145 -2.262 8.846 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 145 -1.057 8.274 1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 145 -2.350 7.183 1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 145 -5.997 7.183 2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 145 -4.350 6.621 1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 145 -4.883 6.754 3.322 1.00 0.00 H new ATOM 2356 N SER A 146 -0.389 7.802 4.536 1.00 0.00 N ATOM 2357 CA SER A 146 0.827 8.233 5.208 1.00 0.00 C ATOM 2358 C SER A 146 1.977 8.363 4.212 1.00 0.00 C ATOM 2359 O SER A 146 2.169 7.509 3.346 1.00 0.00 O ATOM 2360 CB SER A 146 1.192 7.232 6.306 1.00 0.00 C ATOM 2361 OG SER A 146 0.473 6.024 6.099 1.00 0.00 O ATOM 0 H SER A 146 -0.252 7.077 3.832 1.00 0.00 H new ATOM 0 HA SER A 146 0.651 9.211 5.656 1.00 0.00 H new ATOM 0 HB2 SER A 146 2.264 7.037 6.294 1.00 0.00 H new ATOM 0 HB3 SER A 146 0.954 7.647 7.286 1.00 0.00 H new ATOM 0 HG SER A 146 0.578 5.736 5.168 1.00 0.00 H new ATOM 2367 N ILE A 147 2.738 9.437 4.358 1.00 0.00 N ATOM 2368 CA ILE A 147 3.878 9.689 3.492 1.00 0.00 C ATOM 2369 C ILE A 147 5.124 9.090 4.128 1.00 0.00 C ATOM 2370 O ILE A 147 5.649 9.616 5.109 1.00 0.00 O ATOM 2371 CB ILE A 147 4.075 11.203 3.285 1.00 0.00 C ATOM 2372 CG1 ILE A 147 2.835 11.901 2.635 1.00 0.00 C ATOM 2373 CG2 ILE A 147 5.307 11.446 2.392 1.00 0.00 C ATOM 2374 CD1 ILE A 147 1.659 10.951 2.362 1.00 0.00 C ATOM 0 H ILE A 147 2.585 10.150 5.071 1.00 0.00 H new ATOM 0 HA ILE A 147 3.698 9.230 2.520 1.00 0.00 H new ATOM 0 HB ILE A 147 4.214 11.638 4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 147 2.497 12.703 3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 147 3.141 12.364 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 147 5.445 12.517 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 147 6.192 11.028 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 147 5.156 10.965 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 147 0.838 11.509 1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 147 1.979 10.162 1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 147 1.325 10.507 3.300 1.00 0.00 H new ATOM 2386 N MET A 148 5.574 7.967 3.580 1.00 0.00 N ATOM 2387 CA MET A 148 6.741 7.281 4.120 1.00 0.00 C ATOM 2388 C MET A 148 8.028 8.059 3.870 1.00 0.00 C ATOM 2389 O MET A 148 8.631 7.961 2.800 1.00 0.00 O ATOM 2390 CB MET A 148 6.856 5.887 3.502 1.00 0.00 C ATOM 2391 CG MET A 148 7.653 4.972 4.438 1.00 0.00 C ATOM 2392 SD MET A 148 8.547 3.751 3.448 1.00 0.00 S ATOM 2393 CE MET A 148 7.089 2.907 2.789 1.00 0.00 C ATOM 0 H MET A 148 5.152 7.515 2.769 1.00 0.00 H new ATOM 0 HA MET A 148 6.605 7.201 5.198 1.00 0.00 H new ATOM 0 HB2 MET A 148 5.863 5.472 3.330 1.00 0.00 H new ATOM 0 HB3 MET A 148 7.348 5.948 2.531 1.00 0.00 H new ATOM 0 HG2 MET A 148 8.353 5.559 5.033 1.00 0.00 H new ATOM 0 HG3 MET A 148 6.982 4.472 5.137 1.00 0.00 H new ATOM 0 HE1 MET A 148 7.404 2.095 2.134 1.00 0.00 H new ATOM 0 HE2 MET A 148 6.500 2.502 3.612 1.00 0.00 H new ATOM 0 HE3 MET A 148 6.483 3.615 2.224 1.00 0.00 H new ATOM 2403 N THR A 149 8.455 8.816 4.878 1.00 0.00 N ATOM 2404 CA THR A 149 9.687 9.593 4.779 1.00 0.00 C ATOM 2405 C THR A 149 10.829 8.826 5.443 1.00 0.00 C ATOM 2406 O THR A 149 10.601 7.771 6.034 1.00 0.00 O ATOM 2407 CB THR A 149 9.505 10.952 5.467 1.00 0.00 C ATOM 2408 OG1 THR A 149 8.619 10.805 6.568 1.00 0.00 O ATOM 2409 CG2 THR A 149 8.925 11.972 4.478 1.00 0.00 C ATOM 0 H THR A 149 7.968 8.908 5.769 1.00 0.00 H new ATOM 0 HA THR A 149 9.925 9.757 3.728 1.00 0.00 H new ATOM 0 HB THR A 149 10.474 11.308 5.816 1.00 0.00 H new ATOM 0 HG1 THR A 149 8.888 10.029 7.103 1.00 0.00 H new ATOM 0 HG21 THR A 149 8.800 12.933 4.978 1.00 0.00 H new ATOM 0 HG22 THR A 149 9.605 12.088 3.634 1.00 0.00 H new ATOM 0 HG23 THR A 149 7.957 11.621 4.119 1.00 0.00 H new ATOM 2417 N TYR A 150 12.050 9.356 5.341 1.00 0.00 N ATOM 2418 CA TYR A 150 13.216 8.706 5.934 1.00 0.00 C ATOM 2419 C TYR A 150 12.836 7.944 7.198 1.00 0.00 C ATOM 2420 O TYR A 150 12.941 6.718 7.246 1.00 0.00 O ATOM 2421 CB TYR A 150 14.283 9.753 6.256 1.00 0.00 C ATOM 2422 CG TYR A 150 13.642 10.943 6.924 1.00 0.00 C ATOM 2423 CD1 TYR A 150 12.975 11.900 6.153 1.00 0.00 C ATOM 2424 CD2 TYR A 150 13.717 11.089 8.314 1.00 0.00 C ATOM 2425 CE1 TYR A 150 12.380 13.007 6.770 1.00 0.00 C ATOM 2426 CE2 TYR A 150 13.122 12.196 8.932 1.00 0.00 C ATOM 2427 CZ TYR A 150 12.454 13.155 8.161 1.00 0.00 C ATOM 2428 OH TYR A 150 11.869 14.247 8.771 1.00 0.00 O ATOM 0 H TYR A 150 12.254 10.229 4.855 1.00 0.00 H new ATOM 0 HA TYR A 150 13.613 7.991 5.214 1.00 0.00 H new ATOM 0 HB2 TYR A 150 15.043 9.323 6.909 1.00 0.00 H new ATOM 0 HB3 TYR A 150 14.788 10.065 5.342 1.00 0.00 H new ATOM 0 HD1 TYR A 150 12.919 11.785 5.081 1.00 0.00 H new ATOM 0 HD2 TYR A 150 14.233 10.350 8.909 1.00 0.00 H new ATOM 0 HE1 TYR A 150 11.865 13.746 6.174 1.00 0.00 H new ATOM 0 HE2 TYR A 150 13.178 12.310 10.004 1.00 0.00 H new ATOM 0 HH TYR A 150 12.012 14.196 9.739 1.00 0.00 H new ATOM 2438 N SER A 151 12.384 8.665 8.216 1.00 0.00 N ATOM 2439 CA SER A 151 11.985 8.023 9.459 1.00 0.00 C ATOM 2440 C SER A 151 11.045 6.856 9.166 1.00 0.00 C ATOM 2441 O SER A 151 11.365 5.695 9.436 1.00 0.00 O ATOM 2442 CB SER A 151 11.286 9.035 10.370 1.00 0.00 C ATOM 2443 OG SER A 151 10.554 9.956 9.570 1.00 0.00 O ATOM 0 H SER A 151 12.286 9.680 8.206 1.00 0.00 H new ATOM 0 HA SER A 151 12.875 7.646 9.962 1.00 0.00 H new ATOM 0 HB2 SER A 151 10.616 8.520 11.059 1.00 0.00 H new ATOM 0 HB3 SER A 151 12.021 9.565 10.976 1.00 0.00 H new ATOM 0 HG SER A 151 9.620 9.665 9.508 1.00 0.00 H new ATOM 2449 N GLU A 152 9.889 7.177 8.599 1.00 0.00 N ATOM 2450 CA GLU A 152 8.902 6.160 8.258 1.00 0.00 C ATOM 2451 C GLU A 152 9.502 5.138 7.299 1.00 0.00 C ATOM 2452 O GLU A 152 8.937 4.064 7.090 1.00 0.00 O ATOM 2453 CB GLU A 152 7.680 6.820 7.621 1.00 0.00 C ATOM 2454 CG GLU A 152 6.836 7.499 8.706 1.00 0.00 C ATOM 2455 CD GLU A 152 7.563 8.730 9.235 1.00 0.00 C ATOM 2456 OE1 GLU A 152 8.460 9.202 8.556 1.00 0.00 O ATOM 2457 OE2 GLU A 152 7.212 9.184 10.312 1.00 0.00 O ATOM 0 H GLU A 152 9.612 8.131 8.366 1.00 0.00 H new ATOM 0 HA GLU A 152 8.598 5.645 9.169 1.00 0.00 H new ATOM 0 HB2 GLU A 152 7.996 7.554 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 152 7.083 6.074 7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 152 5.867 7.786 8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 152 6.645 6.801 9.521 1.00 0.00 H new ATOM 2464 N PHE A 153 10.652 5.474 6.728 1.00 0.00 N ATOM 2465 CA PHE A 153 11.325 4.572 5.805 1.00 0.00 C ATOM 2466 C PHE A 153 12.039 3.479 6.597 1.00 0.00 C ATOM 2467 O PHE A 153 11.638 2.313 6.580 1.00 0.00 O ATOM 2468 CB PHE A 153 12.330 5.364 4.953 1.00 0.00 C ATOM 2469 CG PHE A 153 12.302 4.876 3.525 1.00 0.00 C ATOM 2470 CD1 PHE A 153 13.066 3.770 3.156 1.00 0.00 C ATOM 2471 CD2 PHE A 153 11.510 5.534 2.576 1.00 0.00 C ATOM 2472 CE1 PHE A 153 13.044 3.313 1.832 1.00 0.00 C ATOM 2473 CE2 PHE A 153 11.486 5.078 1.253 1.00 0.00 C ATOM 2474 CZ PHE A 153 12.253 3.968 0.880 1.00 0.00 C ATOM 0 H PHE A 153 11.135 6.358 6.887 1.00 0.00 H new ATOM 0 HA PHE A 153 10.595 4.108 5.142 1.00 0.00 H new ATOM 0 HB2 PHE A 153 12.089 6.426 4.987 1.00 0.00 H new ATOM 0 HB3 PHE A 153 13.334 5.252 5.364 1.00 0.00 H new ATOM 0 HD1 PHE A 153 13.675 3.265 3.891 1.00 0.00 H new ATOM 0 HD2 PHE A 153 10.919 6.391 2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 153 13.636 2.457 1.546 1.00 0.00 H new ATOM 0 HE2 PHE A 153 10.875 5.583 0.519 1.00 0.00 H new ATOM 0 HZ PHE A 153 12.235 3.617 -0.141 1.00 0.00 H new ATOM 2484 N LYS A 154 13.086 3.867 7.315 1.00 0.00 N ATOM 2485 CA LYS A 154 13.820 2.910 8.129 1.00 0.00 C ATOM 2486 C LYS A 154 12.826 2.023 8.860 1.00 0.00 C ATOM 2487 O LYS A 154 13.119 0.878 9.212 1.00 0.00 O ATOM 2488 CB LYS A 154 14.696 3.647 9.144 1.00 0.00 C ATOM 2489 CG LYS A 154 15.557 4.699 8.423 1.00 0.00 C ATOM 2490 CD LYS A 154 15.640 5.983 9.260 1.00 0.00 C ATOM 2491 CE LYS A 154 16.490 5.750 10.521 1.00 0.00 C ATOM 2492 NZ LYS A 154 15.599 5.714 11.716 1.00 0.00 N ATOM 0 H LYS A 154 13.441 4.823 7.350 1.00 0.00 H new ATOM 0 HA LYS A 154 14.461 2.303 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 154 14.071 4.129 9.896 1.00 0.00 H new ATOM 0 HB3 LYS A 154 15.336 2.938 9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 154 16.558 4.304 8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 154 15.129 4.921 7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 154 16.075 6.785 8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 154 14.638 6.304 9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 154 17.040 4.813 10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 154 17.229 6.544 10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 16.177 5.727 12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 14.972 6.543 11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 15.026 4.846 11.696 1.00 0.00 H new ATOM 2506 N HIS A 155 11.636 2.572 9.065 1.00 0.00 N ATOM 2507 CA HIS A 155 10.572 1.847 9.740 1.00 0.00 C ATOM 2508 C HIS A 155 9.932 0.863 8.774 1.00 0.00 C ATOM 2509 O HIS A 155 9.640 -0.279 9.127 1.00 0.00 O ATOM 2510 CB HIS A 155 9.518 2.832 10.243 1.00 0.00 C ATOM 2511 CG HIS A 155 8.756 2.221 11.388 1.00 0.00 C ATOM 2512 ND1 HIS A 155 9.210 2.284 12.696 1.00 0.00 N ATOM 2513 CD2 HIS A 155 7.568 1.536 11.437 1.00 0.00 C ATOM 2514 CE1 HIS A 155 8.308 1.653 13.469 1.00 0.00 C ATOM 2515 NE2 HIS A 155 7.287 1.178 12.750 1.00 0.00 N ATOM 0 H HIS A 155 11.385 3.517 8.773 1.00 0.00 H new ATOM 0 HA HIS A 155 10.989 1.302 10.587 1.00 0.00 H new ATOM 0 HB2 HIS A 155 9.996 3.757 10.565 1.00 0.00 H new ATOM 0 HB3 HIS A 155 8.833 3.091 9.435 1.00 0.00 H new ATOM 0 HD2 HIS A 155 6.945 1.309 10.584 1.00 0.00 H new ATOM 0 HE1 HIS A 155 8.398 1.544 14.540 1.00 0.00 H new ATOM 0 HE2 HIS A 155 6.475 0.663 13.092 1.00 0.00 H new ATOM 2524 N CYS A 156 9.726 1.321 7.546 1.00 0.00 N ATOM 2525 CA CYS A 156 9.129 0.486 6.516 1.00 0.00 C ATOM 2526 C CYS A 156 9.927 -0.806 6.356 1.00 0.00 C ATOM 2527 O CYS A 156 9.396 -1.819 5.901 1.00 0.00 O ATOM 2528 CB CYS A 156 9.078 1.261 5.197 1.00 0.00 C ATOM 2529 SG CYS A 156 9.157 0.123 3.787 1.00 0.00 S ATOM 0 H CYS A 156 9.964 2.265 7.241 1.00 0.00 H new ATOM 0 HA CYS A 156 8.113 0.221 6.808 1.00 0.00 H new ATOM 0 HB2 CYS A 156 8.160 1.847 5.148 1.00 0.00 H new ATOM 0 HB3 CYS A 156 9.908 1.965 5.150 1.00 0.00 H new ATOM 0 HG CYS A 156 9.011 -1.099 4.207 1.00 0.00 H new ATOM 2535 N TRP A 157 11.194 -0.779 6.769 1.00 0.00 N ATOM 2536 CA TRP A 157 12.020 -1.980 6.695 1.00 0.00 C ATOM 2537 C TRP A 157 11.741 -2.803 7.932 1.00 0.00 C ATOM 2538 O TRP A 157 11.416 -3.989 7.867 1.00 0.00 O ATOM 2539 CB TRP A 157 13.514 -1.632 6.663 1.00 0.00 C ATOM 2540 CG TRP A 157 13.837 -0.726 5.516 1.00 0.00 C ATOM 2541 CD1 TRP A 157 13.170 -0.667 4.338 1.00 0.00 C ATOM 2542 CD2 TRP A 157 14.916 0.250 5.420 1.00 0.00 C ATOM 2543 NE1 TRP A 157 13.773 0.285 3.534 1.00 0.00 N ATOM 2544 CE2 TRP A 157 14.846 0.877 4.157 1.00 0.00 C ATOM 2545 CE3 TRP A 157 15.937 0.650 6.301 1.00 0.00 C ATOM 2546 CZ2 TRP A 157 15.750 1.862 3.777 1.00 0.00 C ATOM 2547 CZ3 TRP A 157 16.854 1.644 5.921 1.00 0.00 C ATOM 2548 CH2 TRP A 157 16.759 2.251 4.662 1.00 0.00 C ATOM 0 H TRP A 157 11.662 0.043 7.150 1.00 0.00 H new ATOM 0 HA TRP A 157 11.780 -2.524 5.782 1.00 0.00 H new ATOM 0 HB2 TRP A 157 13.798 -1.152 7.600 1.00 0.00 H new ATOM 0 HB3 TRP A 157 14.101 -2.547 6.583 1.00 0.00 H new ATOM 0 HD1 TRP A 157 12.310 -1.264 4.071 1.00 0.00 H new ATOM 0 HE1 TRP A 157 13.459 0.519 2.592 1.00 0.00 H new ATOM 0 HE3 TRP A 157 16.016 0.190 7.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 157 15.673 2.324 2.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 157 17.637 1.942 6.603 1.00 0.00 H new ATOM 0 HH2 TRP A 157 17.464 3.018 4.376 1.00 0.00 H new ATOM 2559 N ASP A 158 11.853 -2.133 9.062 1.00 0.00 N ATOM 2560 CA ASP A 158 11.605 -2.750 10.346 1.00 0.00 C ATOM 2561 C ASP A 158 10.222 -3.385 10.382 1.00 0.00 C ATOM 2562 O ASP A 158 9.955 -4.268 11.196 1.00 0.00 O ATOM 2563 CB ASP A 158 11.696 -1.671 11.418 1.00 0.00 C ATOM 2564 CG ASP A 158 11.372 -2.258 12.787 1.00 0.00 C ATOM 2565 OD1 ASP A 158 11.272 -3.471 12.881 1.00 0.00 O ATOM 2566 OD2 ASP A 158 11.225 -1.488 13.721 1.00 0.00 O ATOM 0 H ASP A 158 12.118 -1.149 9.114 1.00 0.00 H new ATOM 0 HA ASP A 158 12.343 -3.532 10.521 1.00 0.00 H new ATOM 0 HB2 ASP A 158 12.698 -1.241 11.427 1.00 0.00 H new ATOM 0 HB3 ASP A 158 11.003 -0.861 11.189 1.00 0.00 H new ATOM 2571 N THR A 159 9.340 -2.901 9.519 1.00 0.00 N ATOM 2572 CA THR A 159 7.967 -3.403 9.484 1.00 0.00 C ATOM 2573 C THR A 159 7.740 -4.497 8.438 1.00 0.00 C ATOM 2574 O THR A 159 7.161 -5.539 8.745 1.00 0.00 O ATOM 2575 CB THR A 159 7.009 -2.235 9.212 1.00 0.00 C ATOM 2576 OG1 THR A 159 6.946 -1.398 10.357 1.00 0.00 O ATOM 2577 CG2 THR A 159 5.608 -2.764 8.889 1.00 0.00 C ATOM 0 H THR A 159 9.544 -2.169 8.839 1.00 0.00 H new ATOM 0 HA THR A 159 7.774 -3.856 10.457 1.00 0.00 H new ATOM 0 HB THR A 159 7.378 -1.665 8.359 1.00 0.00 H new ATOM 0 HG1 THR A 159 6.336 -0.651 10.183 1.00 0.00 H new ATOM 0 HG21 THR A 159 4.938 -1.926 8.698 1.00 0.00 H new ATOM 0 HG22 THR A 159 5.654 -3.400 8.005 1.00 0.00 H new ATOM 0 HG23 THR A 159 5.234 -3.343 9.734 1.00 0.00 H new ATOM 2585 N PHE A 160 8.139 -4.238 7.199 1.00 0.00 N ATOM 2586 CA PHE A 160 7.905 -5.195 6.118 1.00 0.00 C ATOM 2587 C PHE A 160 9.114 -6.092 5.849 1.00 0.00 C ATOM 2588 O PHE A 160 8.958 -7.286 5.589 1.00 0.00 O ATOM 2589 CB PHE A 160 7.528 -4.414 4.846 1.00 0.00 C ATOM 2590 CG PHE A 160 7.907 -5.193 3.604 1.00 0.00 C ATOM 2591 CD1 PHE A 160 7.434 -6.497 3.423 1.00 0.00 C ATOM 2592 CD2 PHE A 160 8.734 -4.606 2.639 1.00 0.00 C ATOM 2593 CE1 PHE A 160 7.789 -7.217 2.275 1.00 0.00 C ATOM 2594 CE2 PHE A 160 9.089 -5.324 1.491 1.00 0.00 C ATOM 2595 CZ PHE A 160 8.617 -6.630 1.309 1.00 0.00 C ATOM 0 H PHE A 160 8.621 -3.384 6.917 1.00 0.00 H new ATOM 0 HA PHE A 160 7.093 -5.857 6.421 1.00 0.00 H new ATOM 0 HB2 PHE A 160 6.457 -4.213 4.842 1.00 0.00 H new ATOM 0 HB3 PHE A 160 8.034 -3.448 4.843 1.00 0.00 H new ATOM 0 HD1 PHE A 160 6.795 -6.948 4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 160 9.098 -3.599 2.780 1.00 0.00 H new ATOM 0 HE1 PHE A 160 7.425 -8.224 2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 160 9.726 -4.871 0.746 1.00 0.00 H new ATOM 0 HZ PHE A 160 8.891 -7.185 0.424 1.00 0.00 H new ATOM 2605 N VAL A 161 10.307 -5.521 5.873 1.00 0.00 N ATOM 2606 CA VAL A 161 11.503 -6.290 5.588 1.00 0.00 C ATOM 2607 C VAL A 161 11.822 -7.273 6.708 1.00 0.00 C ATOM 2608 O VAL A 161 11.886 -6.900 7.880 1.00 0.00 O ATOM 2609 CB VAL A 161 12.671 -5.336 5.371 1.00 0.00 C ATOM 2610 CG1 VAL A 161 13.931 -6.138 5.090 1.00 0.00 C ATOM 2611 CG2 VAL A 161 12.365 -4.434 4.173 1.00 0.00 C ATOM 0 H VAL A 161 10.471 -4.537 6.085 1.00 0.00 H new ATOM 0 HA VAL A 161 11.330 -6.875 4.685 1.00 0.00 H new ATOM 0 HB VAL A 161 12.819 -4.726 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 161 14.768 -5.458 4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 161 14.145 -6.789 5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 161 13.785 -6.744 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 161 13.197 -3.748 4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 161 12.222 -5.047 3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 161 11.457 -3.863 4.370 1.00 0.00 H new ATOM 2621 N ASP A 162 12.032 -8.535 6.334 1.00 0.00 N ATOM 2622 CA ASP A 162 12.359 -9.568 7.309 1.00 0.00 C ATOM 2623 C ASP A 162 13.805 -9.417 7.752 1.00 0.00 C ATOM 2624 O ASP A 162 14.458 -10.377 8.159 1.00 0.00 O ATOM 2625 CB ASP A 162 12.142 -10.958 6.708 1.00 0.00 C ATOM 2626 CG ASP A 162 11.882 -11.970 7.818 1.00 0.00 C ATOM 2627 OD1 ASP A 162 11.230 -11.607 8.783 1.00 0.00 O ATOM 2628 OD2 ASP A 162 12.337 -13.095 7.687 1.00 0.00 O ATOM 0 H ASP A 162 11.981 -8.862 5.369 1.00 0.00 H new ATOM 0 HA ASP A 162 11.703 -9.455 8.172 1.00 0.00 H new ATOM 0 HB2 ASP A 162 11.298 -10.937 6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 162 13.018 -11.255 6.131 1.00 0.00 H new ATOM 2633 N HIS A 163 14.280 -8.189 7.669 1.00 0.00 N ATOM 2634 CA HIS A 163 15.639 -7.852 8.054 1.00 0.00 C ATOM 2635 C HIS A 163 15.672 -6.408 8.529 1.00 0.00 C ATOM 2636 O HIS A 163 16.193 -5.524 7.849 1.00 0.00 O ATOM 2637 CB HIS A 163 16.580 -8.017 6.869 1.00 0.00 C ATOM 2638 CG HIS A 163 16.170 -9.219 6.064 1.00 0.00 C ATOM 2639 ND1 HIS A 163 16.217 -10.504 6.582 1.00 0.00 N ATOM 2640 CD2 HIS A 163 15.706 -9.348 4.779 1.00 0.00 C ATOM 2641 CE1 HIS A 163 15.793 -11.343 5.620 1.00 0.00 C ATOM 2642 NE2 HIS A 163 15.469 -10.691 4.500 1.00 0.00 N ATOM 0 H HIS A 163 13.735 -7.395 7.332 1.00 0.00 H new ATOM 0 HA HIS A 163 15.963 -8.518 8.854 1.00 0.00 H new ATOM 0 HB2 HIS A 163 16.556 -7.123 6.245 1.00 0.00 H new ATOM 0 HB3 HIS A 163 17.606 -8.134 7.219 1.00 0.00 H new ATOM 0 HD1 HIS A 163 16.518 -10.765 7.521 1.00 0.00 H new ATOM 0 HD2 HIS A 163 15.549 -8.532 4.089 1.00 0.00 H new ATOM 0 HE1 HIS A 163 15.723 -12.414 5.739 1.00 0.00 H new ATOM 2651 N GLN A 164 15.084 -6.189 9.688 1.00 0.00 N ATOM 2652 CA GLN A 164 15.007 -4.858 10.272 1.00 0.00 C ATOM 2653 C GLN A 164 16.329 -4.114 10.101 1.00 0.00 C ATOM 2654 O GLN A 164 16.393 -2.897 10.274 1.00 0.00 O ATOM 2655 CB GLN A 164 14.646 -4.958 11.760 1.00 0.00 C ATOM 2656 CG GLN A 164 13.383 -5.824 11.952 1.00 0.00 C ATOM 2657 CD GLN A 164 13.489 -6.629 13.245 1.00 0.00 C ATOM 2658 OE1 GLN A 164 13.866 -6.088 14.285 1.00 0.00 O ATOM 2659 NE2 GLN A 164 13.177 -7.897 13.241 1.00 0.00 N ATOM 0 H GLN A 164 14.648 -6.920 10.251 1.00 0.00 H new ATOM 0 HA GLN A 164 14.229 -4.298 9.753 1.00 0.00 H new ATOM 0 HB2 GLN A 164 15.479 -5.391 12.314 1.00 0.00 H new ATOM 0 HB3 GLN A 164 14.476 -3.961 12.167 1.00 0.00 H new ATOM 0 HG2 GLN A 164 12.498 -5.188 11.982 1.00 0.00 H new ATOM 0 HG3 GLN A 164 13.263 -6.498 11.104 1.00 0.00 H new ATOM 0 HE21 GLN A 164 12.865 -8.343 12.378 1.00 0.00 H new ATOM 0 HE22 GLN A 164 13.245 -8.442 14.101 1.00 0.00 H new ATOM 2668 N GLY A 165 17.378 -4.848 9.740 1.00 0.00 N ATOM 2669 CA GLY A 165 18.690 -4.247 9.523 1.00 0.00 C ATOM 2670 C GLY A 165 19.056 -4.322 8.047 1.00 0.00 C ATOM 2671 O GLY A 165 20.212 -4.541 7.687 1.00 0.00 O ATOM 0 H GLY A 165 17.345 -5.857 9.592 1.00 0.00 H new ATOM 0 HA2 GLY A 165 18.683 -3.208 9.853 1.00 0.00 H new ATOM 0 HA3 GLY A 165 19.440 -4.766 10.120 1.00 0.00 H new ATOM 2675 N CYS A 166 18.048 -4.144 7.203 1.00 0.00 N ATOM 2676 CA CYS A 166 18.240 -4.194 5.758 1.00 0.00 C ATOM 2677 C CYS A 166 19.500 -3.425 5.350 1.00 0.00 C ATOM 2678 O CYS A 166 19.871 -2.448 6.001 1.00 0.00 O ATOM 2679 CB CYS A 166 17.020 -3.588 5.057 1.00 0.00 C ATOM 2680 SG CYS A 166 17.107 -1.782 5.149 1.00 0.00 S ATOM 0 H CYS A 166 17.087 -3.963 7.494 1.00 0.00 H new ATOM 0 HA CYS A 166 18.358 -5.236 5.460 1.00 0.00 H new ATOM 0 HB2 CYS A 166 16.989 -3.909 4.016 1.00 0.00 H new ATOM 0 HB3 CYS A 166 16.103 -3.943 5.527 1.00 0.00 H new ATOM 0 HG CYS A 166 15.928 -1.304 5.418 1.00 0.00 H new ATOM 2686 N PRO A 167 20.161 -3.839 4.292 1.00 0.00 N ATOM 2687 CA PRO A 167 21.399 -3.160 3.807 1.00 0.00 C ATOM 2688 C PRO A 167 21.097 -1.829 3.119 1.00 0.00 C ATOM 2689 O PRO A 167 22.010 -1.097 2.739 1.00 0.00 O ATOM 2690 CB PRO A 167 21.994 -4.161 2.816 1.00 0.00 C ATOM 2691 CG PRO A 167 20.830 -4.942 2.307 1.00 0.00 C ATOM 2692 CD PRO A 167 19.810 -4.995 3.446 1.00 0.00 C ATOM 0 HA PRO A 167 22.074 -2.908 4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 167 22.512 -3.651 2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 167 22.723 -4.810 3.301 1.00 0.00 H new ATOM 0 HG2 PRO A 167 20.401 -4.468 1.424 1.00 0.00 H new ATOM 0 HG3 PRO A 167 21.135 -5.946 2.013 1.00 0.00 H new ATOM 0 HD2 PRO A 167 18.789 -4.920 3.072 1.00 0.00 H new ATOM 0 HD3 PRO A 167 19.879 -5.931 4.000 1.00 0.00 H new ATOM 2700 N PHE A 168 19.812 -1.523 2.962 1.00 0.00 N ATOM 2701 CA PHE A 168 19.408 -0.278 2.317 1.00 0.00 C ATOM 2702 C PHE A 168 19.835 0.920 3.158 1.00 0.00 C ATOM 2703 O PHE A 168 20.039 0.804 4.366 1.00 0.00 O ATOM 2704 CB PHE A 168 17.887 -0.256 2.124 1.00 0.00 C ATOM 2705 CG PHE A 168 17.527 0.584 0.918 1.00 0.00 C ATOM 2706 CD1 PHE A 168 17.507 1.982 1.014 1.00 0.00 C ATOM 2707 CD2 PHE A 168 17.206 -0.037 -0.294 1.00 0.00 C ATOM 2708 CE1 PHE A 168 17.167 2.755 -0.102 1.00 0.00 C ATOM 2709 CE2 PHE A 168 16.865 0.736 -1.410 1.00 0.00 C ATOM 2710 CZ PHE A 168 16.846 2.132 -1.314 1.00 0.00 C ATOM 0 H PHE A 168 19.039 -2.114 3.269 1.00 0.00 H new ATOM 0 HA PHE A 168 19.896 -0.218 1.344 1.00 0.00 H new ATOM 0 HB2 PHE A 168 17.515 -1.272 1.993 1.00 0.00 H new ATOM 0 HB3 PHE A 168 17.406 0.148 3.015 1.00 0.00 H new ATOM 0 HD1 PHE A 168 17.754 2.463 1.949 1.00 0.00 H new ATOM 0 HD2 PHE A 168 17.221 -1.114 -0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 168 17.152 3.832 -0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 168 16.617 0.255 -2.345 1.00 0.00 H new ATOM 0 HZ PHE A 168 16.584 2.729 -2.175 1.00 0.00 H new ATOM 2720 N GLN A 169 19.972 2.069 2.507 1.00 0.00 N ATOM 2721 CA GLN A 169 20.379 3.289 3.191 1.00 0.00 C ATOM 2722 C GLN A 169 19.596 4.494 2.668 1.00 0.00 C ATOM 2723 O GLN A 169 19.039 4.455 1.570 1.00 0.00 O ATOM 2724 CB GLN A 169 21.882 3.507 2.994 1.00 0.00 C ATOM 2725 CG GLN A 169 22.631 3.015 4.230 1.00 0.00 C ATOM 2726 CD GLN A 169 24.116 2.876 3.927 1.00 0.00 C ATOM 2727 OE1 GLN A 169 24.520 2.919 2.765 1.00 0.00 O ATOM 2728 NE2 GLN A 169 24.958 2.712 4.908 1.00 0.00 N ATOM 0 H GLN A 169 19.807 2.181 1.507 1.00 0.00 H new ATOM 0 HA GLN A 169 20.164 3.184 4.254 1.00 0.00 H new ATOM 0 HB2 GLN A 169 22.226 2.971 2.109 1.00 0.00 H new ATOM 0 HB3 GLN A 169 22.089 4.564 2.827 1.00 0.00 H new ATOM 0 HG2 GLN A 169 22.485 3.713 5.054 1.00 0.00 H new ATOM 0 HG3 GLN A 169 22.227 2.055 4.550 1.00 0.00 H new ATOM 0 HE21 GLN A 169 24.620 2.677 5.870 1.00 0.00 H new ATOM 0 HE22 GLN A 169 25.955 2.619 4.714 1.00 0.00 H new ATOM 2737 N PRO A 170 19.539 5.552 3.438 1.00 0.00 N ATOM 2738 CA PRO A 170 18.803 6.790 3.060 1.00 0.00 C ATOM 2739 C PRO A 170 19.598 7.646 2.077 1.00 0.00 C ATOM 2740 O PRO A 170 20.789 7.885 2.272 1.00 0.00 O ATOM 2741 CB PRO A 170 18.635 7.502 4.399 1.00 0.00 C ATOM 2742 CG PRO A 170 19.831 7.115 5.190 1.00 0.00 C ATOM 2743 CD PRO A 170 20.177 5.695 4.761 1.00 0.00 C ATOM 0 HA PRO A 170 17.860 6.586 2.552 1.00 0.00 H new ATOM 0 HB2 PRO A 170 18.581 8.583 4.268 1.00 0.00 H new ATOM 0 HB3 PRO A 170 17.715 7.195 4.897 1.00 0.00 H new ATOM 0 HG2 PRO A 170 20.662 7.794 4.998 1.00 0.00 H new ATOM 0 HG3 PRO A 170 19.623 7.160 6.259 1.00 0.00 H new ATOM 0 HD2 PRO A 170 21.255 5.548 4.701 1.00 0.00 H new ATOM 0 HD3 PRO A 170 19.794 4.960 5.469 1.00 0.00 H new ATOM 2751 N TRP A 171 18.935 8.097 1.016 1.00 0.00 N ATOM 2752 CA TRP A 171 19.589 8.914 0.003 1.00 0.00 C ATOM 2753 C TRP A 171 19.063 10.350 0.041 1.00 0.00 C ATOM 2754 O TRP A 171 17.920 10.595 0.434 1.00 0.00 O ATOM 2755 CB TRP A 171 19.349 8.297 -1.371 1.00 0.00 C ATOM 2756 CG TRP A 171 17.899 8.362 -1.709 1.00 0.00 C ATOM 2757 CD1 TRP A 171 17.356 9.173 -2.641 1.00 0.00 C ATOM 2758 CD2 TRP A 171 16.804 7.598 -1.142 1.00 0.00 C ATOM 2759 NE1 TRP A 171 15.985 8.966 -2.666 1.00 0.00 N ATOM 2760 CE2 TRP A 171 15.601 7.997 -1.765 1.00 0.00 C ATOM 2761 CE3 TRP A 171 16.740 6.609 -0.153 1.00 0.00 C ATOM 2762 CZ2 TRP A 171 14.379 7.429 -1.415 1.00 0.00 C ATOM 2763 CZ3 TRP A 171 15.519 6.035 0.201 1.00 0.00 C ATOM 2764 CH2 TRP A 171 14.340 6.443 -0.426 1.00 0.00 C ATOM 0 H TRP A 171 17.948 7.910 0.837 1.00 0.00 H new ATOM 0 HA TRP A 171 20.659 8.944 0.206 1.00 0.00 H new ATOM 0 HB2 TRP A 171 19.931 8.828 -2.124 1.00 0.00 H new ATOM 0 HB3 TRP A 171 19.687 7.261 -1.378 1.00 0.00 H new ATOM 0 HD1 TRP A 171 17.899 9.868 -3.264 1.00 0.00 H new ATOM 0 HE1 TRP A 171 15.341 9.469 -3.276 1.00 0.00 H new ATOM 0 HE3 TRP A 171 17.645 6.287 0.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 171 13.470 7.748 -1.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 171 15.485 5.271 0.964 1.00 0.00 H new ATOM 0 HH2 TRP A 171 13.397 5.996 -0.146 1.00 0.00 H new ATOM 2775 N ASP A 172 19.915 11.294 -0.355 1.00 0.00 N ATOM 2776 CA ASP A 172 19.548 12.709 -0.347 1.00 0.00 C ATOM 2777 C ASP A 172 18.482 13.021 -1.390 1.00 0.00 C ATOM 2778 O ASP A 172 18.512 14.070 -2.033 1.00 0.00 O ATOM 2779 CB ASP A 172 20.781 13.564 -0.616 1.00 0.00 C ATOM 2780 CG ASP A 172 21.612 13.695 0.657 1.00 0.00 C ATOM 2781 OD1 ASP A 172 21.067 14.148 1.651 1.00 0.00 O ATOM 2782 OD2 ASP A 172 22.778 13.342 0.618 1.00 0.00 O ATOM 0 H ASP A 172 20.862 11.106 -0.685 1.00 0.00 H new ATOM 0 HA ASP A 172 19.139 12.939 0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 172 21.381 13.114 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 172 20.480 14.551 -0.967 1.00 0.00 H new ATOM 2787 N GLY A 173 17.531 12.117 -1.531 1.00 0.00 N ATOM 2788 CA GLY A 173 16.433 12.305 -2.478 1.00 0.00 C ATOM 2789 C GLY A 173 15.102 12.229 -1.751 1.00 0.00 C ATOM 2790 O GLY A 173 14.146 12.914 -2.113 1.00 0.00 O ATOM 0 H GLY A 173 17.491 11.244 -1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 173 16.531 13.270 -2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 173 16.477 11.541 -3.255 1.00 0.00 H new ATOM 2794 N LEU A 174 15.052 11.400 -0.710 1.00 0.00 N ATOM 2795 CA LEU A 174 13.845 11.253 0.072 1.00 0.00 C ATOM 2796 C LEU A 174 13.149 12.595 0.214 1.00 0.00 C ATOM 2797 O LEU A 174 11.935 12.675 0.395 1.00 0.00 O ATOM 2798 CB LEU A 174 14.210 10.732 1.447 1.00 0.00 C ATOM 2799 CG LEU A 174 14.461 9.230 1.357 1.00 0.00 C ATOM 2800 CD1 LEU A 174 15.228 8.784 2.586 1.00 0.00 C ATOM 2801 CD2 LEU A 174 13.133 8.470 1.284 1.00 0.00 C ATOM 0 H LEU A 174 15.834 10.826 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 174 13.174 10.555 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 174 15.099 11.241 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 174 13.406 10.938 2.154 1.00 0.00 H new ATOM 0 HG LEU A 174 15.037 9.017 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 174 15.412 7.711 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 174 16.180 9.314 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 174 14.645 9.006 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 174 13.329 7.400 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 174 12.545 8.678 2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 174 12.578 8.790 0.402 1.00 0.00 H new ATOM 2813 N ASP A 175 13.950 13.644 0.129 1.00 0.00 N ATOM 2814 CA ASP A 175 13.454 15.005 0.243 1.00 0.00 C ATOM 2815 C ASP A 175 12.506 15.314 -0.902 1.00 0.00 C ATOM 2816 O ASP A 175 11.308 15.513 -0.706 1.00 0.00 O ATOM 2817 CB ASP A 175 14.630 15.974 0.186 1.00 0.00 C ATOM 2818 CG ASP A 175 15.598 15.548 -0.912 1.00 0.00 C ATOM 2819 OD1 ASP A 175 16.405 14.669 -0.655 1.00 0.00 O ATOM 2820 OD2 ASP A 175 15.519 16.105 -1.994 1.00 0.00 O ATOM 0 H ASP A 175 14.957 13.577 -0.020 1.00 0.00 H new ATOM 0 HA ASP A 175 12.923 15.111 1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 175 14.271 16.985 -0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 175 15.143 15.995 1.148 1.00 0.00 H new ATOM 2825 N GLU A 176 13.067 15.348 -2.098 1.00 0.00 N ATOM 2826 CA GLU A 176 12.291 15.628 -3.294 1.00 0.00 C ATOM 2827 C GLU A 176 11.093 14.696 -3.374 1.00 0.00 C ATOM 2828 O GLU A 176 9.973 15.123 -3.650 1.00 0.00 O ATOM 2829 CB GLU A 176 13.163 15.444 -4.526 1.00 0.00 C ATOM 2830 CG GLU A 176 12.544 16.190 -5.710 1.00 0.00 C ATOM 2831 CD GLU A 176 13.436 16.052 -6.939 1.00 0.00 C ATOM 2832 OE1 GLU A 176 14.517 16.618 -6.929 1.00 0.00 O ATOM 2833 OE2 GLU A 176 13.025 15.383 -7.873 1.00 0.00 O ATOM 0 H GLU A 176 14.060 15.185 -2.267 1.00 0.00 H new ATOM 0 HA GLU A 176 11.936 16.658 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 176 14.168 15.819 -4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 176 13.259 14.384 -4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 176 11.553 15.791 -5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 176 12.416 17.243 -5.460 1.00 0.00 H new ATOM 2840 N HIS A 177 11.343 13.420 -3.122 1.00 0.00 N ATOM 2841 CA HIS A 177 10.282 12.420 -3.159 1.00 0.00 C ATOM 2842 C HIS A 177 9.201 12.758 -2.138 1.00 0.00 C ATOM 2843 O HIS A 177 8.035 12.946 -2.489 1.00 0.00 O ATOM 2844 CB HIS A 177 10.858 11.036 -2.860 1.00 0.00 C ATOM 2845 CG HIS A 177 11.830 10.654 -3.942 1.00 0.00 C ATOM 2846 ND1 HIS A 177 13.155 10.348 -3.671 1.00 0.00 N ATOM 2847 CD2 HIS A 177 11.685 10.523 -5.301 1.00 0.00 C ATOM 2848 CE1 HIS A 177 13.749 10.051 -4.842 1.00 0.00 C ATOM 2849 NE2 HIS A 177 12.898 10.143 -5.867 1.00 0.00 N ATOM 0 H HIS A 177 12.266 13.052 -2.891 1.00 0.00 H new ATOM 0 HA HIS A 177 9.840 12.418 -4.155 1.00 0.00 H new ATOM 0 HB2 HIS A 177 11.358 11.040 -1.892 1.00 0.00 H new ATOM 0 HB3 HIS A 177 10.055 10.301 -2.801 1.00 0.00 H new ATOM 0 HD2 HIS A 177 10.769 10.690 -5.848 1.00 0.00 H new ATOM 0 HE1 HIS A 177 14.788 9.772 -4.941 1.00 0.00 H new ATOM 0 HE2 HIS A 177 13.095 9.972 -6.853 1.00 0.00 H new ATOM 2858 N SER A 178 9.598 12.840 -0.872 1.00 0.00 N ATOM 2859 CA SER A 178 8.660 13.163 0.197 1.00 0.00 C ATOM 2860 C SER A 178 7.935 14.467 -0.112 1.00 0.00 C ATOM 2861 O SER A 178 6.720 14.486 -0.293 1.00 0.00 O ATOM 2862 CB SER A 178 9.407 13.297 1.521 1.00 0.00 C ATOM 2863 OG SER A 178 8.506 13.757 2.522 1.00 0.00 O ATOM 0 H SER A 178 10.558 12.688 -0.562 1.00 0.00 H new ATOM 0 HA SER A 178 7.928 12.359 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 178 9.832 12.336 1.811 1.00 0.00 H new ATOM 0 HB3 SER A 178 10.238 13.994 1.415 1.00 0.00 H new ATOM 0 HG SER A 178 9.004 14.242 3.213 1.00 0.00 H new ATOM 2869 N GLN A 179 8.697 15.555 -0.177 1.00 0.00 N ATOM 2870 CA GLN A 179 8.127 16.865 -0.472 1.00 0.00 C ATOM 2871 C GLN A 179 6.984 16.733 -1.463 1.00 0.00 C ATOM 2872 O GLN A 179 5.873 17.208 -1.229 1.00 0.00 O ATOM 2873 CB GLN A 179 9.200 17.765 -1.085 1.00 0.00 C ATOM 2874 CG GLN A 179 8.746 19.223 -1.014 1.00 0.00 C ATOM 2875 CD GLN A 179 9.660 20.097 -1.867 1.00 0.00 C ATOM 2876 OE1 GLN A 179 10.257 21.048 -1.364 1.00 0.00 O ATOM 2877 NE2 GLN A 179 9.807 19.827 -3.136 1.00 0.00 N ATOM 0 H GLN A 179 9.706 15.556 -0.030 1.00 0.00 H new ATOM 0 HA GLN A 179 7.756 17.297 0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 179 10.142 17.640 -0.551 1.00 0.00 H new ATOM 0 HB3 GLN A 179 9.380 17.479 -2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 179 7.717 19.309 -1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 179 8.762 19.567 0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 179 9.311 19.038 -3.550 1.00 0.00 H new ATOM 0 HE22 GLN A 179 10.418 20.405 -3.713 1.00 0.00 H new ATOM 2886 N ASP A 180 7.286 16.091 -2.578 1.00 0.00 N ATOM 2887 CA ASP A 180 6.319 15.890 -3.636 1.00 0.00 C ATOM 2888 C ASP A 180 5.056 15.203 -3.121 1.00 0.00 C ATOM 2889 O ASP A 180 3.963 15.768 -3.201 1.00 0.00 O ATOM 2890 CB ASP A 180 6.969 15.052 -4.727 1.00 0.00 C ATOM 2891 CG ASP A 180 6.259 15.277 -6.059 1.00 0.00 C ATOM 2892 OD1 ASP A 180 6.475 16.320 -6.653 1.00 0.00 O ATOM 2893 OD2 ASP A 180 5.509 14.404 -6.462 1.00 0.00 O ATOM 0 H ASP A 180 8.206 15.697 -2.772 1.00 0.00 H new ATOM 0 HA ASP A 180 6.017 16.860 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 180 8.023 15.316 -4.819 1.00 0.00 H new ATOM 0 HB3 ASP A 180 6.927 13.996 -4.458 1.00 0.00 H new ATOM 2898 N LEU A 181 5.198 13.986 -2.602 1.00 0.00 N ATOM 2899 CA LEU A 181 4.050 13.257 -2.100 1.00 0.00 C ATOM 2900 C LEU A 181 3.347 14.057 -1.015 1.00 0.00 C ATOM 2901 O LEU A 181 2.150 14.307 -1.091 1.00 0.00 O ATOM 2902 CB LEU A 181 4.513 11.928 -1.516 1.00 0.00 C ATOM 2903 CG LEU A 181 3.373 10.888 -1.453 1.00 0.00 C ATOM 2904 CD1 LEU A 181 3.661 9.920 -0.309 1.00 0.00 C ATOM 2905 CD2 LEU A 181 1.998 11.526 -1.183 1.00 0.00 C ATOM 0 H LEU A 181 6.088 13.494 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 181 3.356 13.085 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 181 5.330 11.533 -2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 181 4.908 12.092 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 181 3.336 10.391 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 181 2.864 9.178 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 181 4.612 9.418 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 181 3.713 10.471 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 181 1.236 10.747 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 181 2.022 12.052 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 181 1.761 12.231 -1.980 1.00 0.00 H new ATOM 2917 N SER A 182 4.092 14.435 0.012 1.00 0.00 N ATOM 2918 CA SER A 182 3.511 15.185 1.109 1.00 0.00 C ATOM 2919 C SER A 182 2.816 16.439 0.594 1.00 0.00 C ATOM 2920 O SER A 182 1.596 16.531 0.608 1.00 0.00 O ATOM 2921 CB SER A 182 4.598 15.575 2.112 1.00 0.00 C ATOM 2922 OG SER A 182 4.178 16.722 2.838 1.00 0.00 O ATOM 0 H SER A 182 5.088 14.237 0.107 1.00 0.00 H new ATOM 0 HA SER A 182 2.773 14.553 1.603 1.00 0.00 H new ATOM 0 HB2 SER A 182 4.791 14.748 2.796 1.00 0.00 H new ATOM 0 HB3 SER A 182 5.532 15.783 1.591 1.00 0.00 H new ATOM 0 HG SER A 182 4.872 16.973 3.483 1.00 0.00 H new ATOM 2928 N GLY A 183 3.590 17.399 0.117 1.00 0.00 N ATOM 2929 CA GLY A 183 3.002 18.629 -0.394 1.00 0.00 C ATOM 2930 C GLY A 183 1.720 18.326 -1.146 1.00 0.00 C ATOM 2931 O GLY A 183 0.780 19.118 -1.132 1.00 0.00 O ATOM 0 H GLY A 183 4.608 17.355 0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 183 2.796 19.311 0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 183 3.709 19.131 -1.054 1.00 0.00 H new ATOM 2935 N ARG A 184 1.684 17.166 -1.790 1.00 0.00 N ATOM 2936 CA ARG A 184 0.505 16.767 -2.529 1.00 0.00 C ATOM 2937 C ARG A 184 -0.578 16.250 -1.594 1.00 0.00 C ATOM 2938 O ARG A 184 -1.627 16.871 -1.459 1.00 0.00 O ATOM 2939 CB ARG A 184 0.848 15.685 -3.547 1.00 0.00 C ATOM 2940 CG ARG A 184 1.435 16.333 -4.806 1.00 0.00 C ATOM 2941 CD ARG A 184 0.323 16.568 -5.827 1.00 0.00 C ATOM 2942 NE ARG A 184 0.848 17.249 -7.002 1.00 0.00 N ATOM 2943 CZ ARG A 184 0.035 17.727 -7.938 1.00 0.00 C ATOM 2944 NH1 ARG A 184 -1.257 17.579 -7.819 1.00 0.00 N ATOM 2945 NH2 ARG A 184 0.527 18.344 -8.977 1.00 0.00 N ATOM 0 H ARG A 184 2.452 16.495 -1.813 1.00 0.00 H new ATOM 0 HA ARG A 184 0.132 17.649 -3.050 1.00 0.00 H new ATOM 0 HB2 ARG A 184 1.564 14.983 -3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 184 -0.045 15.115 -3.802 1.00 0.00 H new ATOM 0 HG2 ARG A 184 1.914 17.278 -4.551 1.00 0.00 H new ATOM 0 HG3 ARG A 184 2.205 15.690 -5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 184 -0.119 15.615 -6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 184 -0.472 17.164 -5.378 1.00 0.00 H new ATOM 0 HE ARG A 184 1.856 17.361 -7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 184 -1.642 17.096 -7.007 1.00 0.00 H new ATOM 0 HH12 ARG A 184 -1.881 17.946 -8.538 1.00 0.00 H new ATOM 0 HH21 ARG A 184 1.536 18.460 -9.071 1.00 0.00 H new ATOM 0 HH22 ARG A 184 -0.097 18.711 -9.695 1.00 0.00 H new ATOM 2959 N LEU A 185 -0.318 15.109 -0.949 1.00 0.00 N ATOM 2960 CA LEU A 185 -1.295 14.525 -0.034 1.00 0.00 C ATOM 2961 C LEU A 185 -1.984 15.636 0.723 1.00 0.00 C ATOM 2962 O LEU A 185 -3.203 15.664 0.862 1.00 0.00 O ATOM 2963 CB LEU A 185 -0.633 13.564 0.934 1.00 0.00 C ATOM 2964 CG LEU A 185 -1.728 12.791 1.704 1.00 0.00 C ATOM 2965 CD1 LEU A 185 -1.816 11.349 1.190 1.00 0.00 C ATOM 2966 CD2 LEU A 185 -1.404 12.791 3.204 1.00 0.00 C ATOM 0 H LEU A 185 0.549 14.580 -1.043 1.00 0.00 H new ATOM 0 HA LEU A 185 -2.027 13.960 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 185 0.009 12.869 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 185 0.003 14.110 1.631 1.00 0.00 H new ATOM 0 HG LEU A 185 -2.688 13.281 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 185 -2.590 10.814 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 185 -2.063 11.356 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 185 -0.857 10.851 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 185 -2.178 12.245 3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 185 -0.440 12.310 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 185 -1.364 13.818 3.568 1.00 0.00 H new ATOM 2978 N ARG A 186 -1.180 16.583 1.151 1.00 0.00 N ATOM 2979 CA ARG A 186 -1.678 17.756 1.818 1.00 0.00 C ATOM 2980 C ARG A 186 -2.627 18.437 0.892 1.00 0.00 C ATOM 2981 O ARG A 186 -3.820 18.525 1.123 1.00 0.00 O ATOM 2982 CB ARG A 186 -0.491 18.660 2.036 1.00 0.00 C ATOM 2983 CG ARG A 186 0.511 18.042 3.027 1.00 0.00 C ATOM 2984 CD ARG A 186 0.346 16.520 3.249 1.00 0.00 C ATOM 2985 NE ARG A 186 1.137 16.105 4.403 1.00 0.00 N ATOM 2986 CZ ARG A 186 0.711 16.323 5.643 1.00 0.00 C ATOM 2987 NH1 ARG A 186 -0.434 16.916 5.848 1.00 0.00 N ATOM 2988 NH2 ARG A 186 1.439 15.945 6.659 1.00 0.00 N ATOM 0 H ARG A 186 -0.166 16.558 1.045 1.00 0.00 H new ATOM 0 HA ARG A 186 -2.175 17.515 2.758 1.00 0.00 H new ATOM 0 HB2 ARG A 186 0.005 18.847 1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -0.831 19.624 2.414 1.00 0.00 H new ATOM 0 HG2 ARG A 186 1.522 18.236 2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 186 0.411 18.548 3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -0.705 16.277 3.409 1.00 0.00 H new ATOM 0 HD3 ARG A 186 0.667 15.976 2.361 1.00 0.00 H new ATOM 0 HE ARG A 186 2.032 15.639 4.255 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -1.004 17.213 5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -0.759 17.082 6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 186 2.334 15.483 6.501 1.00 0.00 H new ATOM 0 HH22 ARG A 186 1.112 16.112 7.611 1.00 0.00 H new ATOM 3002 N ALA A 187 -2.043 18.901 -0.170 1.00 0.00 N ATOM 3003 CA ALA A 187 -2.776 19.605 -1.214 1.00 0.00 C ATOM 3004 C ALA A 187 -4.108 18.942 -1.533 1.00 0.00 C ATOM 3005 O ALA A 187 -5.165 19.547 -1.356 1.00 0.00 O ATOM 3006 CB ALA A 187 -1.954 19.634 -2.489 1.00 0.00 C ATOM 0 H ALA A 187 -1.043 18.810 -0.351 1.00 0.00 H new ATOM 0 HA ALA A 187 -2.966 20.612 -0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 187 -2.507 20.162 -3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 187 -1.011 20.148 -2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 187 -1.753 18.614 -2.816 1.00 0.00 H new ATOM 3012 N ILE A 188 -4.058 17.714 -2.048 1.00 0.00 N ATOM 3013 CA ILE A 188 -5.283 17.035 -2.426 1.00 0.00 C ATOM 3014 C ILE A 188 -6.317 17.111 -1.300 1.00 0.00 C ATOM 3015 O ILE A 188 -7.496 17.350 -1.554 1.00 0.00 O ATOM 3016 CB ILE A 188 -5.034 15.561 -2.829 1.00 0.00 C ATOM 3017 CG1 ILE A 188 -4.049 14.885 -1.849 1.00 0.00 C ATOM 3018 CG2 ILE A 188 -4.451 15.485 -4.251 1.00 0.00 C ATOM 3019 CD1 ILE A 188 -4.814 14.038 -0.824 1.00 0.00 C ATOM 0 H ILE A 188 -3.201 17.184 -2.208 1.00 0.00 H new ATOM 0 HA ILE A 188 -5.675 17.552 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 188 -5.991 15.041 -2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 188 -3.350 14.256 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 188 -3.458 15.644 -1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 188 -4.282 14.442 -4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 188 -5.152 15.932 -4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 188 -3.506 16.027 -4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 188 -4.107 13.568 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 188 -5.495 14.676 -0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 188 -5.385 13.267 -1.342 1.00 0.00 H new ATOM 3031 N LEU A 189 -5.873 16.920 -0.058 1.00 0.00 N ATOM 3032 CA LEU A 189 -6.781 16.984 1.084 1.00 0.00 C ATOM 3033 C LEU A 189 -7.171 18.440 1.338 1.00 0.00 C ATOM 3034 O LEU A 189 -8.346 18.804 1.316 1.00 0.00 O ATOM 3035 CB LEU A 189 -6.075 16.400 2.321 1.00 0.00 C ATOM 3036 CG LEU A 189 -6.894 15.255 2.925 1.00 0.00 C ATOM 3037 CD1 LEU A 189 -6.707 13.992 2.093 1.00 0.00 C ATOM 3038 CD2 LEU A 189 -6.402 14.976 4.341 1.00 0.00 C ATOM 0 H LEU A 189 -4.901 16.722 0.180 1.00 0.00 H new ATOM 0 HA LEU A 189 -7.682 16.406 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -5.085 16.038 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -5.931 17.182 3.066 1.00 0.00 H new ATOM 0 HG LEU A 189 -7.946 15.539 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -7.292 13.181 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -7.043 14.176 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -5.653 13.715 2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -6.983 14.162 4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -5.349 14.695 4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -6.522 15.871 4.951 1.00 0.00 H new ATOM 3050 N GLN A 190 -6.153 19.257 1.563 1.00 0.00 N ATOM 3051 CA GLN A 190 -6.317 20.673 1.808 1.00 0.00 C ATOM 3052 C GLN A 190 -6.820 21.384 0.557 1.00 0.00 C ATOM 3053 O GLN A 190 -6.755 22.609 0.455 1.00 0.00 O ATOM 3054 CB GLN A 190 -4.967 21.252 2.252 1.00 0.00 C ATOM 3055 CG GLN A 190 -4.915 21.352 3.775 1.00 0.00 C ATOM 3056 CD GLN A 190 -3.662 22.106 4.207 1.00 0.00 C ATOM 3057 OE1 GLN A 190 -2.652 22.086 3.505 1.00 0.00 O ATOM 3058 NE2 GLN A 190 -3.667 22.776 5.327 1.00 0.00 N ATOM 0 H GLN A 190 -5.181 18.947 1.580 1.00 0.00 H new ATOM 0 HA GLN A 190 -7.059 20.824 2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 190 -4.155 20.619 1.893 1.00 0.00 H new ATOM 0 HB3 GLN A 190 -4.822 22.238 1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 190 -5.803 21.865 4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 190 -4.918 20.354 4.213 1.00 0.00 H new ATOM 0 HE21 GLN A 190 -4.505 22.792 5.908 1.00 0.00 H new ATOM 0 HE22 GLN A 190 -2.833 23.284 5.621 1.00 0.00 H new ATOM 3067 N ASN A 191 -7.328 20.592 -0.376 1.00 0.00 N ATOM 3068 CA ASN A 191 -7.863 21.105 -1.632 1.00 0.00 C ATOM 3069 C ASN A 191 -7.205 22.433 -2.007 1.00 0.00 C ATOM 3070 O ASN A 191 -7.797 23.502 -1.854 1.00 0.00 O ATOM 3071 CB ASN A 191 -9.375 21.255 -1.493 1.00 0.00 C ATOM 3072 CG ASN A 191 -9.935 22.277 -2.468 1.00 0.00 C ATOM 3073 OD1 ASN A 191 -9.280 22.643 -3.444 1.00 0.00 O ATOM 3074 ND2 ASN A 191 -11.126 22.754 -2.262 1.00 0.00 N ATOM 0 H ASN A 191 -7.382 19.577 -0.286 1.00 0.00 H new ATOM 0 HA ASN A 191 -7.642 20.404 -2.437 1.00 0.00 H new ATOM 0 HB2 ASN A 191 -9.853 20.290 -1.664 1.00 0.00 H new ATOM 0 HB3 ASN A 191 -9.618 21.555 -0.474 1.00 0.00 H new ATOM 0 HD21 ASN A 191 -11.522 23.435 -2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 191 -11.665 22.448 -1.452 1.00 0.00 H new ATOM 3081 N GLN A 192 -5.972 22.352 -2.495 1.00 0.00 N ATOM 3082 CA GLN A 192 -5.229 23.533 -2.887 1.00 0.00 C ATOM 3083 C GLN A 192 -5.949 24.274 -4.011 1.00 0.00 C ATOM 3084 O GLN A 192 -5.873 23.880 -5.175 1.00 0.00 O ATOM 3085 CB GLN A 192 -3.840 23.099 -3.352 1.00 0.00 C ATOM 3086 CG GLN A 192 -2.833 24.221 -3.120 1.00 0.00 C ATOM 3087 CD GLN A 192 -3.118 25.385 -4.064 1.00 0.00 C ATOM 3088 OE1 GLN A 192 -3.830 26.395 -3.646 1.00 0.00 O flip ATOM 3089 NE2 GLN A 192 -2.678 25.373 -5.214 1.00 0.00 N flip ATOM 0 H GLN A 192 -5.469 21.475 -2.627 1.00 0.00 H new ATOM 0 HA GLN A 192 -5.146 24.210 -2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 192 -3.530 22.205 -2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 192 -3.868 22.838 -4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 192 -2.887 24.560 -2.085 1.00 0.00 H new ATOM 0 HG3 GLN A 192 -1.821 23.851 -3.282 1.00 0.00 H new ATOM 0 HE21 GLN A 192 -2.121 24.582 -5.539 1.00 0.00 H new ATOM 0 HE22 GLN A 192 -2.870 26.154 -5.842 1.00 0.00 H new ATOM 3098 N GLU A 193 -6.651 25.345 -3.652 1.00 0.00 N ATOM 3099 CA GLU A 193 -7.384 26.135 -4.635 1.00 0.00 C ATOM 3100 C GLU A 193 -6.502 26.466 -5.835 1.00 0.00 C ATOM 3101 O GLU A 193 -5.369 25.997 -5.936 1.00 0.00 O ATOM 3102 CB GLU A 193 -7.878 27.432 -3.994 1.00 0.00 C ATOM 3103 CG GLU A 193 -9.149 27.156 -3.190 1.00 0.00 C ATOM 3104 CD GLU A 193 -9.734 28.466 -2.675 1.00 0.00 C ATOM 3105 OE1 GLU A 193 -10.531 29.056 -3.386 1.00 0.00 O ATOM 3106 OE2 GLU A 193 -9.377 28.860 -1.577 1.00 0.00 O ATOM 0 H GLU A 193 -6.727 25.684 -2.693 1.00 0.00 H new ATOM 0 HA GLU A 193 -8.235 25.547 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -7.107 27.845 -3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -8.078 28.177 -4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -9.880 26.642 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -8.924 26.495 -2.353 1.00 0.00 H new ATOM 3113 N ASN A 194 -7.034 27.281 -6.741 1.00 0.00 N ATOM 3114 CA ASN A 194 -6.293 27.673 -7.933 1.00 0.00 C ATOM 3115 C ASN A 194 -4.838 27.975 -7.589 1.00 0.00 C ATOM 3116 O ASN A 194 -4.604 28.528 -6.527 1.00 0.00 O ATOM 3117 CB ASN A 194 -6.935 28.903 -8.562 1.00 0.00 C ATOM 3118 CG ASN A 194 -6.041 29.458 -9.665 1.00 0.00 C ATOM 3119 OD1 ASN A 194 -5.225 30.345 -9.417 1.00 0.00 O ATOM 3120 ND2 ASN A 194 -6.149 28.986 -10.877 1.00 0.00 N ATOM 3121 OXT ASN A 194 -3.981 27.650 -8.393 1.00 0.00 O ATOM 0 H ASN A 194 -7.970 27.680 -6.673 1.00 0.00 H new ATOM 0 HA ASN A 194 -6.320 26.845 -8.642 1.00 0.00 H new ATOM 0 HB2 ASN A 194 -7.911 28.643 -8.971 1.00 0.00 H new ATOM 0 HB3 ASN A 194 -7.101 29.665 -7.801 1.00 0.00 H new ATOM 0 HD21 ASN A 194 -5.556 29.352 -11.622 1.00 0.00 H new ATOM 0 HD22 ASN A 194 -6.826 28.251 -11.079 1.00 0.00 H new