USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 627 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 106 CYS SG : rot 82:sc= -2.31! USER MOD Set 1.2: A 133 GLN : amide:sc= -0.772 X(o=-3.1,f=-2.8) USER MOD Set 2.1: A 60 GLN : amide:sc= -1 K(o=-1,f=-2.9!) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 171:sc= -0.011 (180deg=-0.128) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= -0.0622 (180deg=-0.402) USER MOD Single : A 61 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.62) USER MOD Single : A 71 GLN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.8 X(o=-1.8,f=-2.2!) USER MOD Single : A 82 MET CE :methyl -164:sc= -1.18 (180deg=-1.63!) USER MOD Single : A 86 ASN : amide:sc= 0.444 X(o=0.44,f=0) USER MOD Single : A 89 SER OG : rot -55:sc= 0.208 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.26) USER MOD Single : A 97 LYS NZ :NH3+ 161:sc= 0.044 (180deg=0.00669) USER MOD Single : A 99 CYS SG : rot 37:sc= -1.28! USER MOD Single : A 100 MET CE :methyl -116:sc= -0.191 (180deg=-0.731) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 6.222 -7.176 6.731 1.00 0.00 N ATOM 414 CA GLY A 55 6.855 -7.783 5.570 1.00 0.00 C ATOM 415 C GLY A 55 7.361 -6.759 4.560 1.00 0.00 C ATOM 416 O GLY A 55 7.941 -7.129 3.540 1.00 0.00 O ATOM 0 HA2 GLY A 55 7.690 -8.401 5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.142 -8.446 5.080 1.00 0.00 H new ATOM 420 N PHE A 56 7.147 -5.470 4.851 1.00 0.00 N ATOM 421 CA PHE A 56 7.586 -4.399 3.963 1.00 0.00 C ATOM 422 C PHE A 56 8.899 -3.797 4.454 1.00 0.00 C ATOM 423 O PHE A 56 9.831 -3.607 3.672 1.00 0.00 O ATOM 424 CB PHE A 56 6.520 -3.305 3.855 1.00 0.00 C ATOM 425 CG PHE A 56 6.858 -2.244 2.844 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.314 -2.592 1.582 1.00 0.00 C ATOM 427 CD2 PHE A 56 6.725 -0.900 3.157 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.632 -1.621 0.653 1.00 0.00 C ATOM 429 CE2 PHE A 56 7.041 0.075 2.230 1.00 0.00 C ATOM 430 CZ PHE A 56 7.495 -0.287 0.977 1.00 0.00 C ATOM 0 H PHE A 56 6.673 -5.149 5.695 1.00 0.00 H new ATOM 0 HA PHE A 56 7.743 -4.830 2.974 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.567 -3.761 3.588 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.388 -2.838 4.831 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.422 -3.635 1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.371 -0.612 4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.988 -1.906 -0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.933 1.119 2.485 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.743 0.474 0.251 1.00 0.00 H new ATOM 440 N THR A 57 8.964 -3.501 5.753 1.00 0.00 N ATOM 441 CA THR A 57 10.162 -2.920 6.356 1.00 0.00 C ATOM 442 C THR A 57 11.389 -3.807 6.126 1.00 0.00 C ATOM 443 O THR A 57 12.490 -3.299 5.904 1.00 0.00 O ATOM 444 CB THR A 57 9.972 -2.677 7.867 1.00 0.00 C ATOM 445 OG1 THR A 57 8.846 -1.817 8.085 1.00 0.00 O ATOM 446 CG2 THR A 57 11.214 -2.053 8.483 1.00 0.00 C ATOM 0 H THR A 57 8.198 -3.655 6.409 1.00 0.00 H new ATOM 0 HA THR A 57 10.328 -1.960 5.867 1.00 0.00 H new ATOM 0 HB THR A 57 9.797 -3.641 8.345 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.730 -1.668 9.047 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.051 -1.893 9.549 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.064 -2.720 8.342 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.419 -1.097 8.000 1.00 0.00 H new ATOM 454 N LYS A 58 11.198 -5.126 6.174 1.00 0.00 N ATOM 455 CA LYS A 58 12.298 -6.065 5.944 1.00 0.00 C ATOM 456 C LYS A 58 12.834 -5.917 4.521 1.00 0.00 C ATOM 457 O LYS A 58 14.037 -6.042 4.284 1.00 0.00 O ATOM 458 CB LYS A 58 11.842 -7.509 6.181 1.00 0.00 C ATOM 459 CG LYS A 58 10.698 -7.953 5.280 1.00 0.00 C ATOM 460 CD LYS A 58 10.349 -9.415 5.510 1.00 0.00 C ATOM 461 CE LYS A 58 9.379 -9.939 4.458 1.00 0.00 C ATOM 462 NZ LYS A 58 9.951 -9.879 3.083 1.00 0.00 N ATOM 0 H LYS A 58 10.299 -5.567 6.369 1.00 0.00 H new ATOM 0 HA LYS A 58 13.094 -5.832 6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.690 -8.177 6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.534 -7.616 7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.821 -7.333 5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.975 -7.803 4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.260 -10.013 5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.909 -9.532 6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.112 -10.969 4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.459 -9.356 4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.409 -10.506 2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.899 -8.903 2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.944 -10.186 3.106 1.00 0.00 H new ATOM 476 N GLU A 59 11.927 -5.649 3.582 1.00 0.00 N ATOM 477 CA GLU A 59 12.287 -5.464 2.183 1.00 0.00 C ATOM 478 C GLU A 59 12.950 -4.101 1.983 1.00 0.00 C ATOM 479 O GLU A 59 13.920 -3.979 1.234 1.00 0.00 O ATOM 480 CB GLU A 59 11.037 -5.585 1.304 1.00 0.00 C ATOM 481 CG GLU A 59 11.221 -5.074 -0.117 1.00 0.00 C ATOM 482 CD GLU A 59 10.398 -3.831 -0.399 1.00 0.00 C ATOM 483 OE1 GLU A 59 10.798 -2.738 0.054 1.00 0.00 O ATOM 484 OE2 GLU A 59 9.352 -3.951 -1.070 1.00 0.00 O ATOM 0 H GLU A 59 10.929 -5.555 3.771 1.00 0.00 H new ATOM 0 HA GLU A 59 12.997 -6.238 1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.734 -6.631 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.222 -5.034 1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.275 -4.854 -0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.942 -5.858 -0.821 1.00 0.00 H new ATOM 491 N GLN A 60 12.413 -3.082 2.659 1.00 0.00 N ATOM 492 CA GLN A 60 12.946 -1.722 2.572 1.00 0.00 C ATOM 493 C GLN A 60 14.407 -1.665 3.022 1.00 0.00 C ATOM 494 O GLN A 60 15.162 -0.805 2.575 1.00 0.00 O ATOM 495 CB GLN A 60 12.103 -0.770 3.422 1.00 0.00 C ATOM 496 CG GLN A 60 10.672 -0.628 2.931 1.00 0.00 C ATOM 497 CD GLN A 60 9.871 0.374 3.741 1.00 0.00 C ATOM 498 OE1 GLN A 60 9.263 0.025 4.753 1.00 0.00 O ATOM 499 NE2 GLN A 60 9.858 1.626 3.296 1.00 0.00 N ATOM 0 H GLN A 60 11.606 -3.175 3.275 1.00 0.00 H new ATOM 0 HA GLN A 60 12.900 -1.412 1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.092 -1.127 4.452 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.575 0.212 3.431 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.680 -0.320 1.885 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.180 -1.600 2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.376 1.873 2.453 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.330 2.340 3.798 1.00 0.00 H new ATOM 508 N GLN A 61 14.795 -2.579 3.914 1.00 0.00 N ATOM 509 CA GLN A 61 16.170 -2.632 4.412 1.00 0.00 C ATOM 510 C GLN A 61 17.080 -3.393 3.447 1.00 0.00 C ATOM 511 O GLN A 61 18.218 -2.984 3.210 1.00 0.00 O ATOM 512 CB GLN A 61 16.220 -3.281 5.798 1.00 0.00 C ATOM 513 CG GLN A 61 15.552 -2.454 6.886 1.00 0.00 C ATOM 514 CD GLN A 61 15.607 -3.120 8.249 1.00 0.00 C ATOM 515 OE1 GLN A 61 16.539 -3.865 8.555 1.00 0.00 O ATOM 516 NE2 GLN A 61 14.605 -2.852 9.081 1.00 0.00 N ATOM 0 H GLN A 61 14.178 -3.291 4.305 1.00 0.00 H new ATOM 0 HA GLN A 61 16.531 -1.606 4.489 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.739 -4.258 5.749 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.261 -3.452 6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 61 16.036 -1.479 6.943 1.00 0.00 H new ATOM 0 HG3 GLN A 61 14.511 -2.278 6.615 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.852 -2.229 8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.589 -3.269 10.012 1.00 0.00 H new ATOM 525 N ARG A 62 16.577 -4.497 2.891 1.00 0.00 N ATOM 526 CA ARG A 62 17.350 -5.309 1.949 1.00 0.00 C ATOM 527 C ARG A 62 17.631 -4.540 0.656 1.00 0.00 C ATOM 528 O ARG A 62 18.738 -4.599 0.118 1.00 0.00 O ATOM 529 CB ARG A 62 16.603 -6.605 1.626 1.00 0.00 C ATOM 530 CG ARG A 62 17.406 -7.575 0.778 1.00 0.00 C ATOM 531 CD ARG A 62 16.578 -8.787 0.378 1.00 0.00 C ATOM 532 NE ARG A 62 17.334 -9.716 -0.462 1.00 0.00 N ATOM 533 CZ ARG A 62 16.775 -10.653 -1.232 1.00 0.00 C ATOM 534 NH1 ARG A 62 15.453 -10.799 -1.269 1.00 0.00 N ATOM 535 NH2 ARG A 62 17.544 -11.449 -1.967 1.00 0.00 N ATOM 0 H ARG A 62 15.638 -4.849 3.077 1.00 0.00 H new ATOM 0 HA ARG A 62 18.303 -5.549 2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.324 -7.096 2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.677 -6.361 1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.764 -7.067 -0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.286 -7.902 1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.237 -9.305 1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.688 -8.457 -0.157 1.00 0.00 H new ATOM 0 HE ARG A 62 18.351 -9.644 -0.459 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.857 -10.192 -0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.036 -11.518 -1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.558 -11.343 -1.942 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.120 -12.166 -2.556 1.00 0.00 H new ATOM 549 N LEU A 63 16.622 -3.821 0.166 1.00 0.00 N ATOM 550 CA LEU A 63 16.737 -3.043 -1.068 1.00 0.00 C ATOM 551 C LEU A 63 17.238 -1.623 -0.803 1.00 0.00 C ATOM 552 O LEU A 63 17.917 -1.034 -1.647 1.00 0.00 O ATOM 553 CB LEU A 63 15.376 -2.979 -1.768 1.00 0.00 C ATOM 554 CG LEU A 63 14.697 -4.332 -2.003 1.00 0.00 C ATOM 555 CD1 LEU A 63 13.324 -4.136 -2.623 1.00 0.00 C ATOM 556 CD2 LEU A 63 15.559 -5.220 -2.888 1.00 0.00 C ATOM 0 H LEU A 63 15.706 -3.761 0.610 1.00 0.00 H new ATOM 0 HA LEU A 63 17.466 -3.543 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.709 -2.355 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.504 -2.483 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 63 14.575 -4.826 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.855 -5.107 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.704 -3.540 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.426 -3.620 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.058 -6.176 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.715 -4.733 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.522 -5.389 -2.406 1.00 0.00 H new ATOM 568 N GLY A 64 16.903 -1.074 0.366 1.00 0.00 N ATOM 569 CA GLY A 64 17.317 0.279 0.703 1.00 0.00 C ATOM 570 C GLY A 64 16.187 1.292 0.555 1.00 0.00 C ATOM 571 O GLY A 64 16.355 2.462 0.903 1.00 0.00 O ATOM 0 H GLY A 64 16.352 -1.543 1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.685 0.298 1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 64 18.148 0.571 0.061 1.00 0.00 H new ATOM 575 N ILE A 65 15.039 0.840 0.033 1.00 0.00 N ATOM 576 CA ILE A 65 13.874 1.706 -0.155 1.00 0.00 C ATOM 577 C ILE A 65 13.534 2.452 1.138 1.00 0.00 C ATOM 578 O ILE A 65 13.329 1.834 2.183 1.00 0.00 O ATOM 579 CB ILE A 65 12.639 0.899 -0.619 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.925 0.206 -1.956 1.00 0.00 C ATOM 581 CG2 ILE A 65 11.423 1.809 -0.741 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.885 -0.821 -2.346 1.00 0.00 C ATOM 0 H ILE A 65 14.895 -0.124 -0.267 1.00 0.00 H new ATOM 0 HA ILE A 65 14.133 2.427 -0.930 1.00 0.00 H new ATOM 0 HB ILE A 65 12.425 0.135 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.988 0.961 -2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.899 -0.280 -1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.563 1.225 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 65 11.208 2.260 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.627 2.594 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.156 -1.268 -3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.837 -1.598 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.912 -0.338 -2.434 1.00 0.00 H new ATOM 594 N PRO A 66 13.477 3.798 1.082 1.00 0.00 N ATOM 595 CA PRO A 66 13.170 4.628 2.254 1.00 0.00 C ATOM 596 C PRO A 66 11.700 4.547 2.666 1.00 0.00 C ATOM 597 O PRO A 66 10.878 3.965 1.955 1.00 0.00 O ATOM 598 CB PRO A 66 13.517 6.042 1.783 1.00 0.00 C ATOM 599 CG PRO A 66 13.331 6.005 0.306 1.00 0.00 C ATOM 600 CD PRO A 66 13.707 4.614 -0.127 1.00 0.00 C ATOM 0 HA PRO A 66 13.724 4.306 3.136 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.866 6.784 2.246 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.541 6.307 2.047 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.299 6.231 0.037 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.959 6.749 -0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.094 4.275 -0.962 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.746 4.563 -0.453 1.00 0.00 H new ATOM 608 N LYS A 67 11.376 5.134 3.818 1.00 0.00 N ATOM 609 CA LYS A 67 10.003 5.135 4.324 1.00 0.00 C ATOM 610 C LYS A 67 9.316 6.471 4.034 1.00 0.00 C ATOM 611 O LYS A 67 8.658 7.043 4.905 1.00 0.00 O ATOM 612 CB LYS A 67 9.992 4.856 5.832 1.00 0.00 C ATOM 613 CG LYS A 67 10.545 3.490 6.210 1.00 0.00 C ATOM 614 CD LYS A 67 10.460 3.247 7.711 1.00 0.00 C ATOM 615 CE LYS A 67 9.018 3.252 8.204 1.00 0.00 C ATOM 616 NZ LYS A 67 8.207 2.163 7.586 1.00 0.00 N ATOM 0 H LYS A 67 12.045 5.615 4.419 1.00 0.00 H new ATOM 0 HA LYS A 67 9.452 4.346 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.575 5.626 6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.969 4.937 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.990 2.714 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.583 3.415 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.923 2.290 7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.027 4.016 8.236 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.006 3.141 9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.562 4.216 7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.282 2.108 8.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.067 2.365 6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.705 1.256 7.692 1.00 0.00 H new ATOM 630 N ASP A 68 9.469 6.965 2.804 1.00 0.00 N ATOM 631 CA ASP A 68 8.867 8.237 2.409 1.00 0.00 C ATOM 632 C ASP A 68 8.308 8.172 0.990 1.00 0.00 C ATOM 633 O ASP A 68 9.058 8.238 0.015 1.00 0.00 O ATOM 634 CB ASP A 68 9.893 9.367 2.523 1.00 0.00 C ATOM 635 CG ASP A 68 10.327 9.607 3.956 1.00 0.00 C ATOM 636 OD1 ASP A 68 9.519 10.150 4.738 1.00 0.00 O ATOM 637 OD2 ASP A 68 11.474 9.249 4.298 1.00 0.00 O ATOM 0 H ASP A 68 10.003 6.504 2.067 1.00 0.00 H new ATOM 0 HA ASP A 68 8.037 8.439 3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.766 9.125 1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.467 10.284 2.116 1.00 0.00 H new ATOM 642 N PRO A 69 6.971 8.041 0.863 1.00 0.00 N ATOM 643 CA PRO A 69 6.296 7.974 -0.442 1.00 0.00 C ATOM 644 C PRO A 69 6.550 9.215 -1.298 1.00 0.00 C ATOM 645 O PRO A 69 6.581 9.127 -2.524 1.00 0.00 O ATOM 646 CB PRO A 69 4.810 7.861 -0.082 1.00 0.00 C ATOM 647 CG PRO A 69 4.789 7.372 1.324 1.00 0.00 C ATOM 648 CD PRO A 69 6.013 7.943 1.978 1.00 0.00 C ATOM 0 HA PRO A 69 6.662 7.140 -1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.308 8.824 -0.172 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.294 7.169 -0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 69 3.884 7.698 1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.800 6.283 1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 69 5.814 8.917 2.426 1.00 0.00 H new ATOM 0 HD3 PRO A 69 6.384 7.296 2.773 1.00 0.00 H new ATOM 656 N ARG A 70 6.726 10.370 -0.650 1.00 0.00 N ATOM 657 CA ARG A 70 6.994 11.616 -1.369 1.00 0.00 C ATOM 658 C ARG A 70 8.444 11.639 -1.853 1.00 0.00 C ATOM 659 O ARG A 70 8.736 12.148 -2.936 1.00 0.00 O ATOM 660 CB ARG A 70 6.717 12.840 -0.486 1.00 0.00 C ATOM 661 CG ARG A 70 5.268 12.973 -0.037 1.00 0.00 C ATOM 662 CD ARG A 70 4.943 12.029 1.112 1.00 0.00 C ATOM 663 NE ARG A 70 3.688 12.383 1.774 1.00 0.00 N ATOM 664 CZ ARG A 70 3.604 13.173 2.849 1.00 0.00 C ATOM 665 NH1 ARG A 70 4.697 13.723 3.375 1.00 0.00 N ATOM 666 NH2 ARG A 70 2.419 13.422 3.396 1.00 0.00 N ATOM 0 H ARG A 70 6.688 10.467 0.365 1.00 0.00 H new ATOM 0 HA ARG A 70 6.324 11.660 -2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.355 12.789 0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.000 13.740 -1.033 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.076 14.001 0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.606 12.764 -0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.879 11.008 0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.755 12.050 1.839 1.00 0.00 H new ATOM 0 HE ARG A 70 2.822 12.003 1.391 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.610 13.543 2.957 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.621 14.324 4.195 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.576 13.011 2.996 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.352 14.024 4.216 1.00 0.00 H new ATOM 680 N GLN A 71 9.344 11.081 -1.040 1.00 0.00 N ATOM 681 CA GLN A 71 10.761 11.009 -1.385 1.00 0.00 C ATOM 682 C GLN A 71 11.098 9.653 -2.016 1.00 0.00 C ATOM 683 O GLN A 71 12.161 9.083 -1.761 1.00 0.00 O ATOM 684 CB GLN A 71 11.621 11.246 -0.140 1.00 0.00 C ATOM 685 CG GLN A 71 11.394 12.604 0.507 1.00 0.00 C ATOM 686 CD GLN A 71 12.132 12.752 1.822 1.00 0.00 C ATOM 687 OE1 GLN A 71 13.271 13.219 1.859 1.00 0.00 O ATOM 688 NE2 GLN A 71 11.486 12.351 2.911 1.00 0.00 N ATOM 0 H GLN A 71 9.113 10.672 -0.135 1.00 0.00 H new ATOM 0 HA GLN A 71 10.978 11.789 -2.115 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.411 10.465 0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.672 11.154 -0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.718 13.388 -0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.327 12.749 0.675 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.543 11.970 2.833 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.933 12.424 3.825 1.00 0.00 H new ATOM 697 N TRP A 72 10.179 9.146 -2.843 1.00 0.00 N ATOM 698 CA TRP A 72 10.362 7.868 -3.524 1.00 0.00 C ATOM 699 C TRP A 72 10.611 8.092 -5.015 1.00 0.00 C ATOM 700 O TRP A 72 10.470 9.214 -5.508 1.00 0.00 O ATOM 701 CB TRP A 72 9.113 7.000 -3.349 1.00 0.00 C ATOM 702 CG TRP A 72 9.241 5.940 -2.298 1.00 0.00 C ATOM 703 CD1 TRP A 72 10.194 5.850 -1.326 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.377 4.815 -2.120 1.00 0.00 C ATOM 705 NE1 TRP A 72 9.974 4.736 -0.554 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.864 4.083 -1.021 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.236 4.354 -2.784 1.00 0.00 C ATOM 708 CZ2 TRP A 72 8.248 2.918 -0.573 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.627 3.198 -2.339 1.00 0.00 C ATOM 710 CH2 TRP A 72 7.135 2.492 -1.242 1.00 0.00 C ATOM 0 H TRP A 72 9.295 9.608 -3.056 1.00 0.00 H new ATOM 0 HA TRP A 72 11.224 7.364 -3.087 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.270 7.644 -3.098 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.879 6.524 -4.301 1.00 0.00 H new ATOM 0 HD1 TRP A 72 11.003 6.552 -1.185 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.545 4.442 0.239 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.838 4.893 -3.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.636 2.370 0.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.745 2.833 -2.845 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.636 1.591 -0.917 1.00 0.00 H new ATOM 721 N THR A 73 10.983 7.031 -5.732 1.00 0.00 N ATOM 722 CA THR A 73 11.206 7.136 -7.173 1.00 0.00 C ATOM 723 C THR A 73 10.515 5.986 -7.906 1.00 0.00 C ATOM 724 O THR A 73 9.867 5.149 -7.279 1.00 0.00 O ATOM 725 CB THR A 73 12.708 7.150 -7.528 1.00 0.00 C ATOM 726 OG1 THR A 73 13.303 5.886 -7.202 1.00 0.00 O ATOM 727 CG2 THR A 73 13.432 8.258 -6.778 1.00 0.00 C ATOM 0 H THR A 73 11.135 6.100 -5.344 1.00 0.00 H new ATOM 0 HA THR A 73 10.777 8.085 -7.495 1.00 0.00 H new ATOM 0 HB THR A 73 12.801 7.332 -8.599 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.255 5.904 -7.432 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.489 8.248 -7.045 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.000 9.222 -7.046 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.327 8.100 -5.705 1.00 0.00 H new ATOM 735 N GLU A 74 10.654 5.946 -9.234 1.00 0.00 N ATOM 736 CA GLU A 74 10.031 4.893 -10.040 1.00 0.00 C ATOM 737 C GLU A 74 10.379 3.503 -9.510 1.00 0.00 C ATOM 738 O GLU A 74 9.524 2.618 -9.471 1.00 0.00 O ATOM 739 CB GLU A 74 10.461 5.010 -11.505 1.00 0.00 C ATOM 740 CG GLU A 74 9.953 6.267 -12.190 1.00 0.00 C ATOM 741 CD GLU A 74 10.272 6.295 -13.672 1.00 0.00 C ATOM 742 OE1 GLU A 74 9.449 5.789 -14.466 1.00 0.00 O ATOM 743 OE2 GLU A 74 11.342 6.822 -14.040 1.00 0.00 O ATOM 0 H GLU A 74 11.190 6.627 -9.772 1.00 0.00 H new ATOM 0 HA GLU A 74 8.951 5.026 -9.971 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.550 4.992 -11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.101 4.138 -12.051 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.874 6.340 -12.053 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.395 7.141 -11.711 1.00 0.00 H new ATOM 750 N THR A 75 11.634 3.319 -9.101 1.00 0.00 N ATOM 751 CA THR A 75 12.089 2.035 -8.574 1.00 0.00 C ATOM 752 C THR A 75 11.365 1.679 -7.276 1.00 0.00 C ATOM 753 O THR A 75 10.839 0.577 -7.136 1.00 0.00 O ATOM 754 CB THR A 75 13.611 2.036 -8.325 1.00 0.00 C ATOM 755 OG1 THR A 75 14.304 2.426 -9.517 1.00 0.00 O ATOM 756 CG2 THR A 75 14.092 0.661 -7.883 1.00 0.00 C ATOM 0 H THR A 75 12.352 4.043 -9.125 1.00 0.00 H new ATOM 0 HA THR A 75 11.855 1.284 -9.329 1.00 0.00 H new ATOM 0 HB THR A 75 13.823 2.751 -7.530 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.270 2.425 -9.349 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.168 0.689 -7.714 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.587 0.378 -6.959 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.865 -0.070 -8.659 1.00 0.00 H new ATOM 764 N HIS A 76 11.348 2.621 -6.329 1.00 0.00 N ATOM 765 CA HIS A 76 10.685 2.407 -5.039 1.00 0.00 C ATOM 766 C HIS A 76 9.179 2.204 -5.224 1.00 0.00 C ATOM 767 O HIS A 76 8.577 1.347 -4.575 1.00 0.00 O ATOM 768 CB HIS A 76 10.944 3.587 -4.095 1.00 0.00 C ATOM 769 CG HIS A 76 12.399 3.879 -3.873 1.00 0.00 C ATOM 770 ND1 HIS A 76 12.874 5.136 -3.565 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.485 3.069 -3.914 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.187 5.089 -3.427 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.582 3.846 -3.633 1.00 0.00 N ATOM 0 H HIS A 76 11.785 3.537 -6.431 1.00 0.00 H new ATOM 0 HA HIS A 76 11.103 1.504 -4.595 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.463 4.477 -4.501 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.474 3.381 -3.133 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.487 2.010 -4.128 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.828 5.924 -3.187 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.546 3.516 -3.590 1.00 0.00 H new ATOM 782 N VAL A 77 8.583 3.000 -6.114 1.00 0.00 N ATOM 783 CA VAL A 77 7.153 2.913 -6.412 1.00 0.00 C ATOM 784 C VAL A 77 6.800 1.552 -7.009 1.00 0.00 C ATOM 785 O VAL A 77 5.929 0.843 -6.505 1.00 0.00 O ATOM 786 CB VAL A 77 6.730 4.023 -7.403 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.318 3.783 -7.924 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.829 5.391 -6.739 1.00 0.00 C ATOM 0 H VAL A 77 9.075 3.719 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 77 6.616 3.042 -5.472 1.00 0.00 H new ATOM 0 HB VAL A 77 7.411 3.997 -8.254 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.046 4.578 -8.618 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.278 2.823 -8.438 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.618 3.776 -7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.528 6.162 -7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.172 5.422 -5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.857 5.569 -6.424 1.00 0.00 H new ATOM 798 N ARG A 78 7.500 1.201 -8.091 1.00 0.00 N ATOM 799 CA ARG A 78 7.288 -0.061 -8.797 1.00 0.00 C ATOM 800 C ARG A 78 7.615 -1.259 -7.907 1.00 0.00 C ATOM 801 O ARG A 78 6.815 -2.191 -7.808 1.00 0.00 O ATOM 802 CB ARG A 78 8.149 -0.091 -10.061 1.00 0.00 C ATOM 803 CG ARG A 78 7.930 -1.315 -10.935 1.00 0.00 C ATOM 804 CD ARG A 78 8.917 -1.343 -12.091 1.00 0.00 C ATOM 805 NE ARG A 78 8.747 -0.199 -12.990 1.00 0.00 N ATOM 806 CZ ARG A 78 9.480 0.919 -12.936 1.00 0.00 C ATOM 807 NH1 ARG A 78 10.437 1.063 -12.021 1.00 0.00 N ATOM 808 NH2 ARG A 78 9.254 1.902 -13.802 1.00 0.00 N ATOM 0 H ARG A 78 8.229 1.785 -8.501 1.00 0.00 H new ATOM 0 HA ARG A 78 6.235 -0.129 -9.070 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.942 0.803 -10.649 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.199 -0.047 -9.773 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.041 -2.219 -10.336 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.911 -1.312 -11.322 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.934 -1.347 -11.699 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.789 -2.268 -12.654 1.00 0.00 H new ATOM 0 HE ARG A 78 8.022 -0.259 -13.705 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.618 0.316 -11.351 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.989 1.920 -11.991 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.523 1.803 -14.506 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.812 2.755 -13.762 1.00 0.00 H new ATOM 822 N ASP A 79 8.786 -1.236 -7.268 1.00 0.00 N ATOM 823 CA ASP A 79 9.192 -2.333 -6.393 1.00 0.00 C ATOM 824 C ASP A 79 8.155 -2.565 -5.294 1.00 0.00 C ATOM 825 O ASP A 79 7.843 -3.708 -4.962 1.00 0.00 O ATOM 826 CB ASP A 79 10.566 -2.061 -5.773 1.00 0.00 C ATOM 827 CG ASP A 79 11.057 -3.220 -4.925 1.00 0.00 C ATOM 828 OD1 ASP A 79 10.649 -3.310 -3.747 1.00 0.00 O ATOM 829 OD2 ASP A 79 11.846 -4.039 -5.439 1.00 0.00 O ATOM 0 H ASP A 79 9.463 -0.477 -7.340 1.00 0.00 H new ATOM 0 HA ASP A 79 9.261 -3.234 -7.002 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.287 -1.864 -6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.513 -1.162 -5.159 1.00 0.00 H new ATOM 834 N TRP A 80 7.627 -1.472 -4.734 1.00 0.00 N ATOM 835 CA TRP A 80 6.616 -1.576 -3.685 1.00 0.00 C ATOM 836 C TRP A 80 5.361 -2.235 -4.253 1.00 0.00 C ATOM 837 O TRP A 80 4.943 -3.292 -3.782 1.00 0.00 O ATOM 838 CB TRP A 80 6.297 -0.200 -3.085 1.00 0.00 C ATOM 839 CG TRP A 80 5.023 -0.170 -2.294 1.00 0.00 C ATOM 840 CD1 TRP A 80 4.792 -0.759 -1.084 1.00 0.00 C ATOM 841 CD2 TRP A 80 3.803 0.480 -2.665 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.502 -0.515 -0.681 1.00 0.00 N ATOM 843 CE2 TRP A 80 2.874 0.244 -1.634 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.405 1.239 -3.769 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.575 0.741 -1.676 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.115 1.732 -3.809 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.213 1.480 -2.768 1.00 0.00 C ATOM 0 H TRP A 80 7.881 -0.517 -4.988 1.00 0.00 H new ATOM 0 HA TRP A 80 7.006 -2.195 -2.877 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.122 0.106 -2.441 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.232 0.532 -3.890 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.517 -1.333 -0.526 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.080 -0.845 0.187 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.094 1.437 -4.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.877 0.550 -0.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.797 2.321 -4.657 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.211 1.878 -2.829 1.00 0.00 H new ATOM 858 N VAL A 81 4.748 -1.582 -5.248 1.00 0.00 N ATOM 859 CA VAL A 81 3.565 -2.121 -5.925 1.00 0.00 C ATOM 860 C VAL A 81 3.716 -3.625 -6.167 1.00 0.00 C ATOM 861 O VAL A 81 2.871 -4.416 -5.745 1.00 0.00 O ATOM 862 CB VAL A 81 3.323 -1.407 -7.278 1.00 0.00 C ATOM 863 CG1 VAL A 81 2.268 -2.133 -8.103 1.00 0.00 C ATOM 864 CG2 VAL A 81 2.919 0.042 -7.055 1.00 0.00 C ATOM 0 H VAL A 81 5.054 -0.676 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 81 2.709 -1.945 -5.274 1.00 0.00 H new ATOM 0 HB VAL A 81 4.259 -1.425 -7.837 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.120 -1.608 -9.047 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.600 -3.152 -8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.329 -2.159 -7.551 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.754 0.526 -8.018 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.001 0.078 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.712 0.563 -6.519 1.00 0.00 H new ATOM 874 N MET A 82 4.805 -4.006 -6.839 1.00 0.00 N ATOM 875 CA MET A 82 5.087 -5.412 -7.131 1.00 0.00 C ATOM 876 C MET A 82 5.156 -6.228 -5.842 1.00 0.00 C ATOM 877 O MET A 82 4.583 -7.315 -5.755 1.00 0.00 O ATOM 878 CB MET A 82 6.406 -5.534 -7.898 1.00 0.00 C ATOM 879 CG MET A 82 6.577 -6.866 -8.612 1.00 0.00 C ATOM 880 SD MET A 82 7.916 -6.837 -9.819 1.00 0.00 S ATOM 881 CE MET A 82 7.367 -5.518 -10.902 1.00 0.00 C ATOM 0 H MET A 82 5.508 -3.357 -7.192 1.00 0.00 H new ATOM 0 HA MET A 82 4.277 -5.805 -7.746 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.466 -4.729 -8.630 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.234 -5.395 -7.203 1.00 0.00 H new ATOM 0 HG2 MET A 82 6.772 -7.646 -7.876 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.645 -7.127 -9.114 1.00 0.00 H new ATOM 0 HE1 MET A 82 7.921 -5.562 -11.839 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.302 -5.633 -11.104 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.543 -4.556 -10.422 1.00 0.00 H new ATOM 891 N TRP A 83 5.865 -5.693 -4.846 1.00 0.00 N ATOM 892 CA TRP A 83 6.006 -6.348 -3.546 1.00 0.00 C ATOM 893 C TRP A 83 4.633 -6.625 -2.920 1.00 0.00 C ATOM 894 O TRP A 83 4.439 -7.649 -2.267 1.00 0.00 O ATOM 895 CB TRP A 83 6.859 -5.474 -2.613 1.00 0.00 C ATOM 896 CG TRP A 83 6.738 -5.835 -1.164 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.560 -6.659 -0.451 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.732 -5.381 -0.251 1.00 0.00 C ATOM 899 NE1 TRP A 83 7.124 -6.748 0.849 1.00 0.00 N ATOM 900 CE2 TRP A 83 6.003 -5.972 0.995 1.00 0.00 C ATOM 901 CE3 TRP A 83 4.627 -4.532 -0.369 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.208 -5.743 2.115 1.00 0.00 C ATOM 903 CZ3 TRP A 83 3.840 -4.305 0.743 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.134 -4.908 1.971 1.00 0.00 C ATOM 0 H TRP A 83 6.354 -4.801 -4.917 1.00 0.00 H new ATOM 0 HA TRP A 83 6.506 -7.306 -3.691 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.904 -5.554 -2.911 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.570 -4.431 -2.743 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.426 -7.166 -0.850 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.563 -7.301 1.585 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.393 -4.062 -1.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.431 -6.208 3.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 2.984 -3.652 0.663 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.500 -4.710 2.823 1.00 0.00 H new ATOM 915 N ALA A 84 3.684 -5.708 -3.135 1.00 0.00 N ATOM 916 CA ALA A 84 2.333 -5.855 -2.597 1.00 0.00 C ATOM 917 C ALA A 84 1.548 -6.930 -3.356 1.00 0.00 C ATOM 918 O ALA A 84 0.560 -7.461 -2.849 1.00 0.00 O ATOM 919 CB ALA A 84 1.595 -4.525 -2.641 1.00 0.00 C ATOM 0 H ALA A 84 3.829 -4.857 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 84 2.418 -6.173 -1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.591 -4.653 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.135 -3.789 -2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.530 -4.179 -3.673 1.00 0.00 H new ATOM 925 N VAL A 85 2.003 -7.252 -4.570 1.00 0.00 N ATOM 926 CA VAL A 85 1.351 -8.264 -5.395 1.00 0.00 C ATOM 927 C VAL A 85 1.782 -9.674 -4.979 1.00 0.00 C ATOM 928 O VAL A 85 0.996 -10.618 -5.057 1.00 0.00 O ATOM 929 CB VAL A 85 1.666 -8.060 -6.894 1.00 0.00 C ATOM 930 CG1 VAL A 85 0.967 -9.110 -7.742 1.00 0.00 C ATOM 931 CG2 VAL A 85 1.263 -6.663 -7.340 1.00 0.00 C ATOM 0 H VAL A 85 2.822 -6.824 -5.001 1.00 0.00 H new ATOM 0 HA VAL A 85 0.277 -8.155 -5.242 1.00 0.00 H new ATOM 0 HB VAL A 85 2.742 -8.171 -7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.204 -8.946 -8.793 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.306 -10.102 -7.445 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.111 -9.036 -7.597 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.493 -6.538 -8.398 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.193 -6.525 -7.182 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.814 -5.923 -6.760 1.00 0.00 H new ATOM 941 N ASN A 86 3.036 -9.808 -4.537 1.00 0.00 N ATOM 942 CA ASN A 86 3.574 -11.101 -4.111 1.00 0.00 C ATOM 943 C ASN A 86 3.228 -11.402 -2.651 1.00 0.00 C ATOM 944 O ASN A 86 2.899 -12.540 -2.310 1.00 0.00 O ATOM 945 CB ASN A 86 5.093 -11.137 -4.301 1.00 0.00 C ATOM 946 CG ASN A 86 5.499 -11.073 -5.763 1.00 0.00 C ATOM 947 OD1 ASN A 86 5.596 -12.099 -6.436 1.00 0.00 O ATOM 948 ND2 ASN A 86 5.743 -9.866 -6.262 1.00 0.00 N ATOM 0 H ASN A 86 3.698 -9.035 -4.465 1.00 0.00 H new ATOM 0 HA ASN A 86 3.113 -11.868 -4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.543 -10.301 -3.766 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.490 -12.050 -3.857 1.00 0.00 H new ATOM 0 HD21 ASN A 86 6.023 -9.764 -7.238 1.00 0.00 H new ATOM 0 HD22 ASN A 86 5.651 -9.041 -5.669 1.00 0.00 H new ATOM 955 N GLU A 87 3.302 -10.382 -1.794 1.00 0.00 N ATOM 956 CA GLU A 87 3.003 -10.545 -0.369 1.00 0.00 C ATOM 957 C GLU A 87 1.505 -10.735 -0.129 1.00 0.00 C ATOM 958 O GLU A 87 1.106 -11.530 0.722 1.00 0.00 O ATOM 959 CB GLU A 87 3.505 -9.336 0.427 1.00 0.00 C ATOM 960 CG GLU A 87 5.015 -9.145 0.373 1.00 0.00 C ATOM 961 CD GLU A 87 5.781 -10.321 0.948 1.00 0.00 C ATOM 962 OE1 GLU A 87 6.070 -11.270 0.189 1.00 0.00 O ATOM 963 OE2 GLU A 87 6.094 -10.290 2.157 1.00 0.00 O ATOM 0 H GLU A 87 3.566 -9.434 -2.061 1.00 0.00 H new ATOM 0 HA GLU A 87 3.520 -11.441 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.021 -8.437 0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.200 -9.446 1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.320 -8.991 -0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.281 -8.242 0.921 1.00 0.00 H new ATOM 970 N PHE A 88 0.680 -10.006 -0.883 1.00 0.00 N ATOM 971 CA PHE A 88 -0.772 -10.101 -0.743 1.00 0.00 C ATOM 972 C PHE A 88 -1.402 -10.938 -1.863 1.00 0.00 C ATOM 973 O PHE A 88 -2.628 -10.989 -1.983 1.00 0.00 O ATOM 974 CB PHE A 88 -1.396 -8.701 -0.730 1.00 0.00 C ATOM 975 CG PHE A 88 -0.954 -7.848 0.428 1.00 0.00 C ATOM 976 CD1 PHE A 88 -1.658 -7.858 1.622 1.00 0.00 C ATOM 977 CD2 PHE A 88 0.162 -7.033 0.320 1.00 0.00 C ATOM 978 CE1 PHE A 88 -1.255 -7.075 2.687 1.00 0.00 C ATOM 979 CE2 PHE A 88 0.569 -6.247 1.381 1.00 0.00 C ATOM 980 CZ PHE A 88 -0.141 -6.267 2.566 1.00 0.00 C ATOM 0 H PHE A 88 0.993 -9.345 -1.595 1.00 0.00 H new ATOM 0 HA PHE A 88 -0.975 -10.602 0.204 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.143 -8.193 -1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.481 -8.798 -0.704 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.532 -8.485 1.721 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.720 -7.012 -0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.810 -7.095 3.613 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.441 -5.618 1.284 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.174 -5.652 3.396 1.00 0.00 H new ATOM 990 N SER A 89 -0.560 -11.605 -2.670 1.00 0.00 N ATOM 991 CA SER A 89 -1.035 -12.429 -3.787 1.00 0.00 C ATOM 992 C SER A 89 -2.123 -11.699 -4.577 1.00 0.00 C ATOM 993 O SER A 89 -3.210 -12.235 -4.807 1.00 0.00 O ATOM 994 CB SER A 89 -1.553 -13.776 -3.272 1.00 0.00 C ATOM 995 OG SER A 89 -1.840 -14.659 -4.344 1.00 0.00 O ATOM 0 H SER A 89 0.455 -11.588 -2.567 1.00 0.00 H new ATOM 0 HA SER A 89 -0.197 -12.614 -4.459 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.810 -14.227 -2.615 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.452 -13.619 -2.676 1.00 0.00 H new ATOM 0 HG SER A 89 -2.466 -14.229 -4.963 1.00 0.00 H new ATOM 1001 N LEU A 90 -1.817 -10.472 -4.998 1.00 0.00 N ATOM 1002 CA LEU A 90 -2.768 -9.659 -5.745 1.00 0.00 C ATOM 1003 C LEU A 90 -2.689 -9.948 -7.244 1.00 0.00 C ATOM 1004 O LEU A 90 -1.844 -10.729 -7.690 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.510 -8.174 -5.473 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.532 -7.774 -3.995 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.285 -6.282 -3.839 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -3.856 -8.167 -3.355 1.00 0.00 C ATOM 0 H LEU A 90 -0.917 -10.022 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.773 -9.915 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.540 -7.906 -5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.259 -7.587 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.731 -8.308 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.305 -6.019 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.311 -6.029 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.062 -5.728 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.853 -7.875 -2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.673 -7.662 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.991 -9.246 -3.431 1.00 0.00 H new ATOM 1020 N LYS A 91 -3.572 -9.314 -8.016 1.00 0.00 N ATOM 1021 CA LYS A 91 -3.601 -9.508 -9.465 1.00 0.00 C ATOM 1022 C LYS A 91 -4.381 -8.397 -10.170 1.00 0.00 C ATOM 1023 O LYS A 91 -5.278 -7.783 -9.588 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.208 -10.876 -9.813 1.00 0.00 C ATOM 1025 CG LYS A 91 -5.637 -11.072 -9.318 1.00 0.00 C ATOM 1026 CD LYS A 91 -5.678 -11.425 -7.838 1.00 0.00 C ATOM 1027 CE LYS A 91 -7.093 -11.734 -7.377 1.00 0.00 C ATOM 1028 NZ LYS A 91 -7.140 -12.104 -5.934 1.00 0.00 N ATOM 0 H LYS A 91 -4.274 -8.664 -7.663 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.571 -9.472 -9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.190 -11.004 -10.895 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.578 -11.658 -9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.210 -10.161 -9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.116 -11.864 -9.894 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.037 -12.287 -7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.277 -10.596 -7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.729 -10.866 -7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.499 -12.550 -7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.122 -12.307 -5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.554 -12.948 -5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.777 -11.316 -5.361 1.00 0.00 H new ATOM 1042 N GLY A 92 -4.021 -8.149 -11.430 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.688 -7.122 -12.216 1.00 0.00 C ATOM 1044 C GLY A 92 -4.014 -5.758 -12.148 1.00 0.00 C ATOM 1045 O GLY A 92 -4.314 -4.883 -12.962 1.00 0.00 O ATOM 0 H GLY A 92 -3.276 -8.644 -11.921 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.730 -7.444 -13.256 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.717 -7.025 -11.871 1.00 0.00 H new ATOM 1049 N VAL A 93 -3.103 -5.569 -11.187 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.407 -4.293 -11.041 1.00 0.00 C ATOM 1051 C VAL A 93 -1.338 -4.131 -12.116 1.00 0.00 C ATOM 1052 O VAL A 93 -0.524 -5.030 -12.341 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.774 -4.138 -9.638 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.714 -5.201 -9.389 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.190 -2.742 -9.462 1.00 0.00 C ATOM 0 H VAL A 93 -2.834 -6.279 -10.506 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.153 -3.508 -11.161 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.563 -4.276 -8.899 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.288 -5.065 -8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.167 -6.190 -9.457 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.074 -5.111 -10.136 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.750 -2.654 -8.469 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.421 -2.571 -10.216 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.980 -2.000 -9.575 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.352 -2.978 -12.780 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.400 -2.690 -13.846 1.00 0.00 C ATOM 1067 C ASP A 94 0.758 -1.835 -13.341 1.00 0.00 C ATOM 1068 O ASP A 94 0.552 -0.849 -12.629 1.00 0.00 O ATOM 1069 CB ASP A 94 -1.108 -1.978 -15.000 1.00 0.00 C ATOM 1070 CG ASP A 94 -2.272 -2.778 -15.552 1.00 0.00 C ATOM 1071 OD1 ASP A 94 -2.053 -3.581 -16.483 1.00 0.00 O ATOM 1072 OD2 ASP A 94 -3.404 -2.603 -15.051 1.00 0.00 O ATOM 0 H ASP A 94 -2.016 -2.226 -12.596 1.00 0.00 H new ATOM 0 HA ASP A 94 0.008 -3.637 -14.198 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.469 -1.008 -14.657 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.391 -1.788 -15.799 1.00 0.00 H new ATOM 1077 N PHE A 95 1.976 -2.220 -13.721 1.00 0.00 N ATOM 1078 CA PHE A 95 3.179 -1.491 -13.320 1.00 0.00 C ATOM 1079 C PHE A 95 3.465 -0.346 -14.294 1.00 0.00 C ATOM 1080 O PHE A 95 4.082 0.653 -13.918 1.00 0.00 O ATOM 1081 CB PHE A 95 4.381 -2.435 -13.229 1.00 0.00 C ATOM 1082 CG PHE A 95 4.129 -3.639 -12.362 1.00 0.00 C ATOM 1083 CD1 PHE A 95 4.068 -3.516 -10.982 1.00 0.00 C ATOM 1084 CD2 PHE A 95 3.945 -4.890 -12.927 1.00 0.00 C ATOM 1085 CE1 PHE A 95 3.830 -4.619 -10.184 1.00 0.00 C ATOM 1086 CE2 PHE A 95 3.707 -5.997 -12.134 1.00 0.00 C ATOM 1087 CZ PHE A 95 3.649 -5.861 -10.761 1.00 0.00 C ATOM 0 H PHE A 95 2.156 -3.035 -14.308 1.00 0.00 H new ATOM 0 HA PHE A 95 3.005 -1.065 -12.332 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.649 -2.768 -14.232 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.236 -1.886 -12.836 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.208 -2.547 -10.526 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.988 -5.002 -14.000 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.786 -4.510 -9.110 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.567 -6.967 -12.588 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.462 -6.724 -10.139 1.00 0.00 H new ATOM 1097 N GLN A 96 3.019 -0.496 -15.548 1.00 0.00 N ATOM 1098 CA GLN A 96 3.192 0.548 -16.559 1.00 0.00 C ATOM 1099 C GLN A 96 2.485 1.828 -16.112 1.00 0.00 C ATOM 1100 O GLN A 96 2.976 2.935 -16.337 1.00 0.00 O ATOM 1101 CB GLN A 96 2.632 0.090 -17.910 1.00 0.00 C ATOM 1102 CG GLN A 96 3.388 -1.079 -18.525 1.00 0.00 C ATOM 1103 CD GLN A 96 4.840 -0.750 -18.819 1.00 0.00 C ATOM 1104 OE1 GLN A 96 5.715 -0.949 -17.976 1.00 0.00 O ATOM 1105 NE2 GLN A 96 5.104 -0.243 -20.019 1.00 0.00 N ATOM 0 H GLN A 96 2.537 -1.330 -15.884 1.00 0.00 H new ATOM 0 HA GLN A 96 4.258 0.745 -16.673 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.587 -0.192 -17.782 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.653 0.930 -18.605 1.00 0.00 H new ATOM 0 HG2 GLN A 96 3.343 -1.932 -17.847 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.894 -1.380 -19.449 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.348 -0.094 -20.687 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.063 -0.003 -20.271 1.00 0.00 H new ATOM 1114 N LYS A 97 1.324 1.654 -15.476 1.00 0.00 N ATOM 1115 CA LYS A 97 0.531 2.766 -14.961 1.00 0.00 C ATOM 1116 C LYS A 97 1.246 3.480 -13.810 1.00 0.00 C ATOM 1117 O LYS A 97 1.058 4.680 -13.609 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.825 2.247 -14.485 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.686 1.706 -15.617 1.00 0.00 C ATOM 1120 CD LYS A 97 -2.974 1.097 -15.097 1.00 0.00 C ATOM 1121 CE LYS A 97 -3.857 0.607 -16.231 1.00 0.00 C ATOM 1122 NZ LYS A 97 -5.130 0.013 -15.731 1.00 0.00 N ATOM 0 H LYS A 97 0.910 0.738 -15.305 1.00 0.00 H new ATOM 0 HA LYS A 97 0.392 3.487 -15.767 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.668 1.460 -13.747 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.360 3.053 -13.982 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.919 2.511 -16.314 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.126 0.954 -16.173 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.742 0.266 -14.431 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.515 1.837 -14.507 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.083 1.438 -16.900 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.316 -0.136 -16.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.828 -0.012 -16.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.952 -0.954 -15.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.499 0.591 -14.949 1.00 0.00 H new ATOM 1136 N PHE A 98 2.066 2.736 -13.059 1.00 0.00 N ATOM 1137 CA PHE A 98 2.804 3.305 -11.931 1.00 0.00 C ATOM 1138 C PHE A 98 4.270 3.576 -12.286 1.00 0.00 C ATOM 1139 O PHE A 98 5.151 3.464 -11.429 1.00 0.00 O ATOM 1140 CB PHE A 98 2.721 2.376 -10.716 1.00 0.00 C ATOM 1141 CG PHE A 98 1.334 2.238 -10.159 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.652 3.350 -9.690 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.713 1.002 -10.104 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.623 3.231 -9.178 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.564 0.877 -9.592 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.233 1.994 -9.129 1.00 0.00 C ATOM 0 H PHE A 98 2.233 1.742 -13.213 1.00 0.00 H new ATOM 0 HA PHE A 98 2.339 4.260 -11.687 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.090 1.390 -10.997 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.381 2.753 -9.935 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.124 4.321 -9.726 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.232 0.126 -10.465 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.144 4.105 -8.816 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.039 -0.092 -9.554 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.232 1.899 -8.729 1.00 0.00 H new ATOM 1156 N CYS A 99 4.532 3.934 -13.546 1.00 0.00 N ATOM 1157 CA CYS A 99 5.891 4.233 -13.986 1.00 0.00 C ATOM 1158 C CYS A 99 6.229 5.699 -13.708 1.00 0.00 C ATOM 1159 O CYS A 99 6.436 6.491 -14.630 1.00 0.00 O ATOM 1160 CB CYS A 99 6.054 3.918 -15.477 1.00 0.00 C ATOM 1161 SG CYS A 99 6.148 2.153 -15.856 1.00 0.00 S ATOM 0 H CYS A 99 3.823 4.023 -14.274 1.00 0.00 H new ATOM 0 HA CYS A 99 6.583 3.605 -13.425 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.215 4.351 -16.022 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.958 4.405 -15.843 1.00 0.00 H new ATOM 0 HG CYS A 99 5.341 1.498 -15.075 1.00 0.00 H new ATOM 1167 N MET A 100 6.278 6.049 -12.423 1.00 0.00 N ATOM 1168 CA MET A 100 6.581 7.414 -12.001 1.00 0.00 C ATOM 1169 C MET A 100 7.204 7.425 -10.606 1.00 0.00 C ATOM 1170 O MET A 100 7.147 6.429 -9.882 1.00 0.00 O ATOM 1171 CB MET A 100 5.306 8.265 -12.012 1.00 0.00 C ATOM 1172 CG MET A 100 4.367 7.976 -10.849 1.00 0.00 C ATOM 1173 SD MET A 100 2.712 8.640 -11.107 1.00 0.00 S ATOM 1174 CE MET A 100 2.101 7.543 -12.384 1.00 0.00 C ATOM 0 H MET A 100 6.111 5.401 -11.653 1.00 0.00 H new ATOM 0 HA MET A 100 7.299 7.838 -12.703 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.583 9.319 -11.990 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.774 8.094 -12.948 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.302 6.898 -10.700 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.785 8.400 -9.936 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.915 8.113 -13.295 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.843 6.770 -12.585 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.173 7.078 -12.051 1.00 0.00 H new ATOM 1184 N SER A 101 7.795 8.560 -10.234 1.00 0.00 N ATOM 1185 CA SER A 101 8.428 8.698 -8.926 1.00 0.00 C ATOM 1186 C SER A 101 7.387 8.843 -7.817 1.00 0.00 C ATOM 1187 O SER A 101 6.214 9.114 -8.081 1.00 0.00 O ATOM 1188 CB SER A 101 9.384 9.895 -8.911 1.00 0.00 C ATOM 1189 OG SER A 101 8.691 11.109 -9.150 1.00 0.00 O ATOM 0 H SER A 101 7.848 9.394 -10.819 1.00 0.00 H new ATOM 0 HA SER A 101 8.999 7.789 -8.739 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.891 9.946 -7.947 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.154 9.758 -9.670 1.00 0.00 H new ATOM 0 HG SER A 101 9.325 11.856 -9.133 1.00 0.00 H new ATOM 1195 N GLY A 102 7.832 8.658 -6.576 1.00 0.00 N ATOM 1196 CA GLY A 102 6.948 8.764 -5.428 1.00 0.00 C ATOM 1197 C GLY A 102 6.274 10.119 -5.331 1.00 0.00 C ATOM 1198 O GLY A 102 5.079 10.199 -5.040 1.00 0.00 O ATOM 0 H GLY A 102 8.800 8.434 -6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.186 7.987 -5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.518 8.580 -4.517 1.00 0.00 H new ATOM 1202 N ALA A 103 7.040 11.187 -5.573 1.00 0.00 N ATOM 1203 CA ALA A 103 6.505 12.547 -5.529 1.00 0.00 C ATOM 1204 C ALA A 103 5.272 12.672 -6.424 1.00 0.00 C ATOM 1205 O ALA A 103 4.304 13.351 -6.073 1.00 0.00 O ATOM 1206 CB ALA A 103 7.571 13.549 -5.949 1.00 0.00 C ATOM 0 H ALA A 103 8.033 11.134 -5.801 1.00 0.00 H new ATOM 0 HA ALA A 103 6.206 12.766 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.158 14.557 -5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.422 13.480 -5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.897 13.328 -6.965 1.00 0.00 H new ATOM 1212 N ALA A 104 5.315 12.003 -7.579 1.00 0.00 N ATOM 1213 CA ALA A 104 4.202 12.017 -8.523 1.00 0.00 C ATOM 1214 C ALA A 104 3.049 11.163 -8.005 1.00 0.00 C ATOM 1215 O ALA A 104 1.890 11.575 -8.051 1.00 0.00 O ATOM 1216 CB ALA A 104 4.655 11.515 -9.886 1.00 0.00 C ATOM 0 H ALA A 104 6.113 11.444 -7.881 1.00 0.00 H new ATOM 0 HA ALA A 104 3.854 13.045 -8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.813 11.532 -10.578 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.449 12.158 -10.265 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.028 10.495 -9.793 1.00 0.00 H new ATOM 1222 N LEU A 105 3.387 9.970 -7.505 1.00 0.00 N ATOM 1223 CA LEU A 105 2.398 9.036 -6.966 1.00 0.00 C ATOM 1224 C LEU A 105 1.548 9.698 -5.880 1.00 0.00 C ATOM 1225 O LEU A 105 0.322 9.586 -5.892 1.00 0.00 O ATOM 1226 CB LEU A 105 3.099 7.795 -6.401 1.00 0.00 C ATOM 1227 CG LEU A 105 2.231 6.540 -6.318 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.928 6.007 -7.711 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.913 5.475 -5.471 1.00 0.00 C ATOM 0 H LEU A 105 4.347 9.628 -7.463 1.00 0.00 H new ATOM 0 HA LEU A 105 1.737 8.736 -7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.969 7.575 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.468 8.029 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 105 1.287 6.804 -5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.309 5.113 -7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.397 6.767 -8.284 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.861 5.758 -8.216 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.281 4.588 -5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.872 5.213 -5.919 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.076 5.860 -4.464 1.00 0.00 H new ATOM 1241 N CYS A 106 2.205 10.384 -4.940 1.00 0.00 N ATOM 1242 CA CYS A 106 1.503 11.072 -3.856 1.00 0.00 C ATOM 1243 C CYS A 106 0.655 12.221 -4.405 1.00 0.00 C ATOM 1244 O CYS A 106 -0.460 12.460 -3.938 1.00 0.00 O ATOM 1245 CB CYS A 106 2.500 11.604 -2.823 1.00 0.00 C ATOM 1246 SG CYS A 106 3.442 10.316 -1.975 1.00 0.00 S ATOM 0 H CYS A 106 3.220 10.477 -4.909 1.00 0.00 H new ATOM 0 HA CYS A 106 0.843 10.353 -3.370 1.00 0.00 H new ATOM 0 HB2 CYS A 106 3.196 12.280 -3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.959 12.192 -2.081 1.00 0.00 H new ATOM 0 HG CYS A 106 4.435 9.940 -2.725 1.00 0.00 H new ATOM 1252 N ALA A 107 1.197 12.925 -5.403 1.00 0.00 N ATOM 1253 CA ALA A 107 0.496 14.042 -6.036 1.00 0.00 C ATOM 1254 C ALA A 107 -0.754 13.575 -6.792 1.00 0.00 C ATOM 1255 O ALA A 107 -1.663 14.369 -7.044 1.00 0.00 O ATOM 1256 CB ALA A 107 1.435 14.784 -6.978 1.00 0.00 C ATOM 0 H ALA A 107 2.122 12.739 -5.790 1.00 0.00 H new ATOM 0 HA ALA A 107 0.169 14.718 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.903 15.613 -7.444 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.285 15.169 -6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.790 14.101 -7.750 1.00 0.00 H new ATOM 1262 N LEU A 108 -0.797 12.287 -7.148 1.00 0.00 N ATOM 1263 CA LEU A 108 -1.935 11.721 -7.873 1.00 0.00 C ATOM 1264 C LEU A 108 -3.175 11.605 -6.983 1.00 0.00 C ATOM 1265 O LEU A 108 -4.300 11.791 -7.450 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.578 10.339 -8.433 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.632 10.339 -9.635 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.380 8.917 -10.109 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.199 11.186 -10.768 1.00 0.00 C ATOM 0 H LEU A 108 -0.055 11.617 -6.945 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.166 12.401 -8.693 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.125 9.750 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.500 9.833 -8.719 1.00 0.00 H new ATOM 0 HG LEU A 108 0.317 10.776 -9.325 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.295 8.933 -10.965 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.071 8.339 -9.302 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.325 8.458 -10.400 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.510 11.172 -11.613 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.162 10.781 -11.078 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.331 12.212 -10.424 1.00 0.00 H new ATOM 1281 N GLY A 109 -2.962 11.310 -5.699 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.072 11.158 -4.775 1.00 0.00 C ATOM 1283 C GLY A 109 -4.794 9.834 -4.949 1.00 0.00 C ATOM 1284 O GLY A 109 -4.423 9.026 -5.803 1.00 0.00 O ATOM 0 H GLY A 109 -2.040 11.174 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.703 11.236 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.778 11.975 -4.922 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.825 9.610 -4.136 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.608 8.374 -4.201 1.00 0.00 C ATOM 1290 C LYS A 110 -7.274 8.202 -5.569 1.00 0.00 C ATOM 1291 O LYS A 110 -7.200 7.129 -6.164 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.670 8.358 -3.098 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.542 7.110 -3.107 1.00 0.00 C ATOM 1294 CD LYS A 110 -9.484 7.078 -1.915 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.557 8.150 -2.015 1.00 0.00 C ATOM 1296 NZ LYS A 110 -11.499 8.106 -0.862 1.00 0.00 N ATOM 0 H LYS A 110 -6.139 10.268 -3.423 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.922 7.540 -4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.177 8.439 -2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.307 9.236 -3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.121 7.076 -4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.909 6.223 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.955 6.097 -1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.914 7.219 -0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -10.086 9.132 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.114 8.020 -2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.214 8.853 -0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.969 7.179 -0.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.973 8.256 0.022 1.00 0.00 H new ATOM 1310 N GLU A 111 -7.922 9.262 -6.054 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.604 9.237 -7.350 1.00 0.00 C ATOM 1312 C GLU A 111 -7.699 8.708 -8.464 1.00 0.00 C ATOM 1313 O GLU A 111 -7.965 7.647 -9.032 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.098 10.644 -7.708 1.00 0.00 C ATOM 1315 CG GLU A 111 -9.674 10.752 -9.111 1.00 0.00 C ATOM 1316 CD GLU A 111 -10.211 12.137 -9.419 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -11.398 12.392 -9.127 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -9.444 12.966 -9.953 1.00 0.00 O ATOM 0 H GLU A 111 -7.989 10.155 -5.565 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.452 8.558 -7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.859 10.946 -6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.270 11.346 -7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.902 10.497 -9.837 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.475 10.022 -9.228 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.632 9.448 -8.767 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.702 9.063 -9.828 1.00 0.00 C ATOM 1327 C CYS A 112 -5.045 7.708 -9.555 1.00 0.00 C ATOM 1328 O CYS A 112 -4.916 6.889 -10.466 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.630 10.137 -10.011 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.266 11.723 -10.602 1.00 0.00 S ATOM 0 H CYS A 112 -6.391 10.318 -8.292 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.281 8.969 -10.746 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.122 10.294 -9.059 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.882 9.772 -10.715 1.00 0.00 H new ATOM 0 HG CYS A 112 -4.284 12.566 -10.723 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.638 7.467 -8.305 1.00 0.00 N ATOM 1337 CA PHE A 113 -3.994 6.203 -7.946 1.00 0.00 C ATOM 1338 C PHE A 113 -4.932 5.021 -8.182 1.00 0.00 C ATOM 1339 O PHE A 113 -4.526 4.008 -8.755 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.535 6.223 -6.485 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.684 5.040 -6.118 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -1.311 5.080 -6.291 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -3.259 3.889 -5.605 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -0.526 3.994 -5.959 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -2.479 2.799 -5.271 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.110 2.852 -5.448 1.00 0.00 C ATOM 0 H PHE A 113 -4.742 8.125 -7.532 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.121 6.084 -8.587 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -2.973 7.139 -6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.410 6.249 -5.836 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.849 5.971 -6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.329 3.843 -5.465 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.544 4.038 -6.099 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -2.939 1.907 -4.872 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.498 2.002 -5.187 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.183 5.153 -7.733 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.177 4.096 -7.914 1.00 0.00 C ATOM 1358 C LEU A 114 -7.435 3.849 -9.401 1.00 0.00 C ATOM 1359 O LEU A 114 -7.745 2.728 -9.803 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.484 4.448 -7.194 1.00 0.00 C ATOM 1361 CG LEU A 114 -8.443 4.327 -5.668 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -9.780 4.729 -5.065 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -8.076 2.908 -5.250 1.00 0.00 C ATOM 0 H LEU A 114 -6.529 5.978 -7.244 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.782 3.180 -7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.759 5.470 -7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.274 3.800 -7.572 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.676 5.005 -5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -9.732 4.637 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.004 5.762 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -10.564 4.077 -5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -8.052 2.844 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -8.818 2.211 -5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.095 2.653 -5.650 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.313 4.904 -10.212 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.498 4.791 -11.659 1.00 0.00 C ATOM 1377 C GLU A 115 -6.358 3.983 -12.291 1.00 0.00 C ATOM 1378 O GLU A 115 -6.530 3.380 -13.352 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.572 6.180 -12.303 1.00 0.00 C ATOM 1380 CG GLU A 115 -8.864 6.923 -12.004 1.00 0.00 C ATOM 1381 CD GLU A 115 -8.854 8.346 -12.531 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -8.398 9.247 -11.797 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -9.302 8.558 -13.678 1.00 0.00 O ATOM 0 H GLU A 115 -7.087 5.845 -9.890 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.438 4.269 -11.838 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.730 6.778 -11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.464 6.077 -13.383 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.701 6.382 -12.446 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.028 6.940 -10.927 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.194 3.980 -11.631 1.00 0.00 N ATOM 1391 CA LEU A 116 -4.024 3.245 -12.114 1.00 0.00 C ATOM 1392 C LEU A 116 -4.033 1.798 -11.613 1.00 0.00 C ATOM 1393 O LEU A 116 -3.533 0.898 -12.288 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.735 3.933 -11.653 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.569 5.387 -12.097 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.376 6.021 -11.401 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.410 5.471 -13.607 1.00 0.00 C ATOM 0 H LEU A 116 -5.039 4.482 -10.757 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.065 3.238 -13.203 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.694 3.897 -10.564 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.885 3.359 -12.023 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.467 5.937 -11.816 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.272 7.056 -11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.528 5.995 -10.322 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.471 5.468 -11.653 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.293 6.513 -13.903 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.529 4.906 -13.912 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.294 5.054 -14.090 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.598 1.584 -10.424 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.665 0.251 -9.833 1.00 0.00 C ATOM 1411 C ALA A 117 -6.035 -0.394 -10.052 1.00 0.00 C ATOM 1412 O ALA A 117 -6.992 0.275 -10.442 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.338 0.315 -8.349 1.00 0.00 C ATOM 0 H ALA A 117 -5.016 2.319 -9.853 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.924 -0.373 -10.333 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.392 -0.686 -7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.332 0.713 -8.215 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.055 0.964 -7.846 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.138 -1.715 -9.808 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.391 -2.467 -9.974 1.00 0.00 C ATOM 1421 C PRO A 118 -8.477 -2.057 -8.978 1.00 0.00 C ATOM 1422 O PRO A 118 -8.239 -1.264 -8.064 1.00 0.00 O ATOM 1423 CB PRO A 118 -6.978 -3.927 -9.724 1.00 0.00 C ATOM 1424 CG PRO A 118 -5.492 -3.940 -9.817 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.040 -2.584 -9.368 1.00 0.00 C ATOM 0 HA PRO A 118 -7.826 -2.287 -10.957 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -7.313 -4.268 -8.744 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -7.424 -4.593 -10.463 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.068 -4.722 -9.186 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.166 -4.142 -10.837 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.898 -2.542 -8.288 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.092 -2.301 -9.825 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.672 -2.613 -9.175 1.00 0.00 N ATOM 1434 CA ASP A 119 -10.822 -2.340 -8.311 1.00 0.00 C ATOM 1435 C ASP A 119 -10.588 -2.815 -6.873 1.00 0.00 C ATOM 1436 O ASP A 119 -11.152 -2.251 -5.935 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.071 -3.026 -8.881 1.00 0.00 C ATOM 1438 CG ASP A 119 -13.306 -2.796 -8.028 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -13.941 -1.732 -8.177 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -13.639 -3.683 -7.214 1.00 0.00 O ATOM 0 H ASP A 119 -9.871 -3.263 -9.935 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.964 -1.260 -8.285 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.256 -2.655 -9.889 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -11.886 -4.097 -8.964 1.00 0.00 H new ATOM 1445 N PHE A 120 -9.758 -3.849 -6.703 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.492 -4.381 -5.364 1.00 0.00 C ATOM 1447 C PHE A 120 -8.080 -4.033 -4.894 1.00 0.00 C ATOM 1448 O PHE A 120 -7.898 -3.480 -3.808 1.00 0.00 O ATOM 1449 CB PHE A 120 -9.728 -5.894 -5.312 1.00 0.00 C ATOM 1450 CG PHE A 120 -11.013 -6.328 -5.966 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -12.214 -6.259 -5.280 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -11.014 -6.802 -7.268 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -13.395 -6.655 -5.881 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -12.190 -7.199 -7.875 1.00 0.00 C ATOM 1455 CZ PHE A 120 -13.382 -7.126 -7.180 1.00 0.00 C ATOM 0 H PHE A 120 -9.268 -4.326 -7.460 1.00 0.00 H new ATOM 0 HA PHE A 120 -10.195 -3.907 -4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -8.894 -6.400 -5.798 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -9.733 -6.217 -4.271 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.229 -5.892 -4.264 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -10.085 -6.862 -7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -14.326 -6.596 -5.336 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -12.178 -7.566 -8.891 1.00 0.00 H new ATOM 0 HZ PHE A 120 -14.303 -7.437 -7.652 1.00 0.00 H new ATOM 1465 N VAL A 121 -7.085 -4.365 -5.721 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.682 -4.094 -5.405 1.00 0.00 C ATOM 1467 C VAL A 121 -5.438 -2.605 -5.145 1.00 0.00 C ATOM 1468 O VAL A 121 -4.673 -2.246 -4.248 1.00 0.00 O ATOM 1469 CB VAL A 121 -4.753 -4.570 -6.543 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -3.308 -4.174 -6.280 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.877 -6.074 -6.739 1.00 0.00 C ATOM 0 H VAL A 121 -7.228 -4.825 -6.620 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.452 -4.650 -4.496 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.067 -4.076 -7.462 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.680 -4.524 -7.099 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.236 -3.089 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.971 -4.625 -5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.215 -6.392 -7.545 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.598 -6.585 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -5.907 -6.324 -6.995 1.00 0.00 H new ATOM 1481 N GLY A 122 -6.090 -1.747 -5.936 1.00 0.00 N ATOM 1482 CA GLY A 122 -5.938 -0.306 -5.777 1.00 0.00 C ATOM 1483 C GLY A 122 -6.150 0.163 -4.347 1.00 0.00 C ATOM 1484 O GLY A 122 -5.392 0.995 -3.847 1.00 0.00 O ATOM 0 H GLY A 122 -6.722 -2.027 -6.686 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.940 -0.014 -6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.649 0.202 -6.429 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.183 -0.368 -3.692 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.488 -0.005 -2.308 1.00 0.00 C ATOM 1490 C ASP A 123 -6.353 -0.408 -1.370 1.00 0.00 C ATOM 1491 O ASP A 123 -5.933 0.375 -0.522 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.791 -0.672 -1.856 1.00 0.00 C ATOM 1493 CG ASP A 123 -9.997 -0.173 -2.628 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -10.584 0.851 -2.219 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -10.353 -0.807 -3.643 1.00 0.00 O ATOM 0 H ASP A 123 -7.823 -1.051 -4.098 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.604 1.078 -2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.705 -1.751 -1.981 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -8.941 -0.485 -0.793 1.00 0.00 H new ATOM 1500 N ILE A 124 -5.862 -1.637 -1.532 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.775 -2.157 -0.702 1.00 0.00 C ATOM 1502 C ILE A 124 -3.527 -1.279 -0.793 1.00 0.00 C ATOM 1503 O ILE A 124 -2.961 -0.883 0.228 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.391 -3.596 -1.114 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.611 -4.516 -1.070 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.286 -4.133 -0.216 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -5.344 -5.887 -1.646 1.00 0.00 C ATOM 0 H ILE A 124 -6.202 -2.294 -2.234 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.145 -2.155 0.323 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.020 -3.569 -2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -5.941 -4.621 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.429 -4.051 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.029 -5.147 -0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.406 -3.495 -0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.630 -4.142 0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.250 -6.490 -1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -5.042 -5.791 -2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.547 -6.370 -1.081 1.00 0.00 H new ATOM 1519 N LEU A 125 -3.112 -0.980 -2.023 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.917 -0.171 -2.257 1.00 0.00 C ATOM 1521 C LEU A 125 -2.067 1.252 -1.720 1.00 0.00 C ATOM 1522 O LEU A 125 -1.272 1.675 -0.886 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.563 -0.139 -3.746 1.00 0.00 C ATOM 1524 CG LEU A 125 -0.645 -1.266 -4.223 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.286 -2.624 -3.982 1.00 0.00 C ATOM 1526 CD2 LEU A 125 -0.306 -1.087 -5.693 1.00 0.00 C ATOM 0 H LEU A 125 -3.586 -1.286 -2.873 1.00 0.00 H new ATOM 0 HA LEU A 125 -1.103 -0.645 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.487 -0.176 -4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -1.086 0.815 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 125 0.279 -1.222 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.615 -3.410 -4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.475 -2.753 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.228 -2.684 -4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.348 -1.897 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.223 -1.103 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 125 0.201 -0.133 -5.836 1.00 0.00 H new ATOM 1538 N TRP A 126 -3.081 1.987 -2.184 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.281 3.368 -1.730 1.00 0.00 C ATOM 1540 C TRP A 126 -3.527 3.436 -0.217 1.00 0.00 C ATOM 1541 O TRP A 126 -3.143 4.417 0.419 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.416 4.057 -2.512 1.00 0.00 C ATOM 1543 CG TRP A 126 -5.288 4.939 -1.663 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -5.186 6.290 -1.505 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -6.383 4.520 -0.841 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -6.151 6.737 -0.635 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -6.898 5.668 -0.213 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -6.977 3.285 -0.575 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -7.979 5.615 0.664 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -8.048 3.232 0.294 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -8.540 4.390 0.905 1.00 0.00 C ATOM 0 H TRP A 126 -3.767 1.657 -2.863 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.359 3.913 -1.935 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.982 4.654 -3.314 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -5.036 3.294 -2.983 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -4.454 6.917 -1.992 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -6.289 7.706 -0.350 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.604 2.385 -1.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -8.361 6.508 1.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.514 2.281 0.506 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -9.379 4.316 1.581 1.00 0.00 H new ATOM 1562 N GLU A 127 -4.153 2.411 0.361 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.400 2.407 1.803 1.00 0.00 C ATOM 1564 C GLU A 127 -3.071 2.414 2.562 1.00 0.00 C ATOM 1565 O GLU A 127 -2.847 3.263 3.427 1.00 0.00 O ATOM 1566 CB GLU A 127 -5.247 1.199 2.213 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.832 1.311 3.613 1.00 0.00 C ATOM 1568 CD GLU A 127 -6.743 2.516 3.771 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -7.956 2.383 3.503 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -6.242 3.591 4.163 1.00 0.00 O ATOM 0 H GLU A 127 -4.493 1.587 -0.135 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.958 3.308 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -6.060 1.077 1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.634 0.300 2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -6.392 0.404 3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -5.020 1.376 4.338 1.00 0.00 H new ATOM 1577 N HIS A 128 -2.190 1.471 2.220 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.872 1.378 2.849 1.00 0.00 C ATOM 1579 C HIS A 128 0.030 2.523 2.377 1.00 0.00 C ATOM 1580 O HIS A 128 0.899 2.985 3.118 1.00 0.00 O ATOM 1581 CB HIS A 128 -0.224 0.027 2.526 1.00 0.00 C ATOM 1582 CG HIS A 128 1.115 -0.177 3.169 1.00 0.00 C ATOM 1583 ND1 HIS A 128 2.087 -0.998 2.635 1.00 0.00 N ATOM 1584 CD2 HIS A 128 1.645 0.333 4.308 1.00 0.00 C ATOM 1585 CE1 HIS A 128 3.153 -0.983 3.415 1.00 0.00 C ATOM 1586 NE2 HIS A 128 2.910 -0.182 4.435 1.00 0.00 N ATOM 0 H HIS A 128 -2.367 0.760 1.510 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.998 1.458 3.929 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.894 -0.771 2.845 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -0.114 -0.062 1.445 1.00 0.00 H new ATOM 0 HD2 HIS A 128 1.161 1.018 4.989 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.067 -1.533 3.247 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.558 0.022 5.196 1.00 0.00 H new ATOM 1595 N LEU A 129 -0.190 2.976 1.140 1.00 0.00 N ATOM 1596 CA LEU A 129 0.586 4.069 0.561 1.00 0.00 C ATOM 1597 C LEU A 129 0.386 5.353 1.362 1.00 0.00 C ATOM 1598 O LEU A 129 1.353 6.045 1.683 1.00 0.00 O ATOM 1599 CB LEU A 129 0.183 4.292 -0.899 1.00 0.00 C ATOM 1600 CG LEU A 129 1.034 5.307 -1.666 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.485 4.852 -1.741 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.469 5.526 -3.061 1.00 0.00 C ATOM 0 H LEU A 129 -0.905 2.598 0.519 1.00 0.00 H new ATOM 0 HA LEU A 129 1.641 3.797 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.229 3.336 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.856 4.620 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 129 1.004 6.254 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.070 5.590 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.887 4.749 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.539 3.891 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 129 1.085 6.250 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.467 4.582 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.551 5.903 -2.985 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.873 5.665 1.687 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.184 6.864 2.460 1.00 0.00 C ATOM 1616 C GLU A 130 -0.635 6.733 3.880 1.00 0.00 C ATOM 1617 O GLU A 130 -0.223 7.720 4.488 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.695 7.118 2.503 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.312 7.444 1.148 1.00 0.00 C ATOM 1620 CD GLU A 130 -2.651 8.627 0.463 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -2.688 9.740 1.028 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -2.102 8.438 -0.643 1.00 0.00 O ATOM 0 H GLU A 130 -1.686 5.106 1.427 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.710 7.714 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.189 6.237 2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.894 7.942 3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.238 6.569 0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -4.373 7.654 1.280 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.637 5.499 4.402 1.00 0.00 N ATOM 1630 CA ILE A 131 -0.123 5.223 5.744 1.00 0.00 C ATOM 1631 C ILE A 131 1.352 5.617 5.841 1.00 0.00 C ATOM 1632 O ILE A 131 1.779 6.207 6.833 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.297 3.730 6.114 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.777 3.412 6.347 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.528 3.371 7.342 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -2.070 1.929 6.446 1.00 0.00 C ATOM 0 H ILE A 131 -0.990 4.677 3.912 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.699 5.820 6.451 1.00 0.00 H new ATOM 0 HB ILE A 131 0.064 3.127 5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.105 3.901 7.264 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.364 3.836 5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.387 2.317 7.580 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.582 3.560 7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.206 3.979 8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.137 1.779 6.611 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -1.773 1.437 5.520 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.511 1.502 7.279 1.00 0.00 H new ATOM 1648 N LEU A 132 2.122 5.280 4.804 1.00 0.00 N ATOM 1649 CA LEU A 132 3.544 5.615 4.749 1.00 0.00 C ATOM 1650 C LEU A 132 3.739 7.133 4.760 1.00 0.00 C ATOM 1651 O LEU A 132 4.670 7.646 5.384 1.00 0.00 O ATOM 1652 CB LEU A 132 4.179 5.022 3.488 1.00 0.00 C ATOM 1653 CG LEU A 132 4.242 3.492 3.441 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.693 3.020 2.068 1.00 0.00 C ATOM 1655 CD2 LEU A 132 5.174 2.961 4.521 1.00 0.00 C ATOM 0 H LEU A 132 1.781 4.773 3.988 1.00 0.00 H new ATOM 0 HA LEU A 132 4.030 5.191 5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.619 5.372 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 132 5.192 5.413 3.393 1.00 0.00 H new ATOM 0 HG LEU A 132 3.242 3.101 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.732 1.931 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.988 3.369 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.683 3.422 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.205 1.873 4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.176 3.360 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.809 3.269 5.501 1.00 0.00 H new ATOM 1667 N GLN A 133 2.848 7.842 4.058 1.00 0.00 N ATOM 1668 CA GLN A 133 2.894 9.303 3.976 1.00 0.00 C ATOM 1669 C GLN A 133 2.621 9.940 5.336 1.00 0.00 C ATOM 1670 O GLN A 133 3.362 10.817 5.780 1.00 0.00 O ATOM 1671 CB GLN A 133 1.865 9.800 2.958 1.00 0.00 C ATOM 1672 CG GLN A 133 2.080 9.247 1.560 1.00 0.00 C ATOM 1673 CD GLN A 133 1.004 9.675 0.581 1.00 0.00 C ATOM 1674 OE1 GLN A 133 0.404 10.742 0.720 1.00 0.00 O ATOM 1675 NE2 GLN A 133 0.757 8.842 -0.422 1.00 0.00 N ATOM 0 H GLN A 133 2.080 7.421 3.535 1.00 0.00 H new ATOM 0 HA GLN A 133 3.895 9.593 3.656 1.00 0.00 H new ATOM 0 HB2 GLN A 133 0.867 9.526 3.299 1.00 0.00 H new ATOM 0 HB3 GLN A 133 1.901 10.889 2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 133 3.051 9.576 1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 133 2.109 8.158 1.606 1.00 0.00 H new ATOM 0 HE21 GLN A 133 1.278 7.968 -0.499 1.00 0.00 H new ATOM 0 HE22 GLN A 133 0.047 9.075 -1.116 1.00 0.00 H new