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 160:sc= 0 USER MOD Set 1.2: A 133 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.59) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0.0289 USER MOD Set 2.2: A 101 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 60 GLN : amide:sc= -1.44 K(o=-1.4,f=-4!) USER MOD Set 3.3: A 67 LYS NZ :NH3+ 169:sc= -0.01 (180deg=-0.141) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.748 K(o=-0.75,f=-0.16) USER MOD Single : A 71 GLN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-1.3) USER MOD Single : A 82 MET CE :methyl 177:sc= -0.809 (180deg=-0.844) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 171:sc=-0.00733 (180deg=-0.0889) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 171:sc=-0.00682 (180deg=-0.107) USER MOD Single : A 99 CYS SG : rot 180:sc= -0.061 USER MOD Single : A 100 MET CE :methyl 158:sc= 0 (180deg=-0.136) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 129:sc= -3.79! USER MOD Single : A 128 HIS : no HD1:sc= -0.673 K(o=-0.67,f=0.088) USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 6.628 -7.164 7.011 1.00 0.00 N ATOM 414 CA GLY A 55 6.909 -7.704 5.690 1.00 0.00 C ATOM 415 C GLY A 55 7.427 -6.649 4.722 1.00 0.00 C ATOM 416 O GLY A 55 8.008 -6.987 3.689 1.00 0.00 O ATOM 0 HA2 GLY A 55 7.645 -8.503 5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.001 -8.150 5.284 1.00 0.00 H new ATOM 420 N PHE A 56 7.224 -5.372 5.062 1.00 0.00 N ATOM 421 CA PHE A 56 7.674 -4.274 4.212 1.00 0.00 C ATOM 422 C PHE A 56 9.025 -3.743 4.679 1.00 0.00 C ATOM 423 O PHE A 56 9.945 -3.597 3.876 1.00 0.00 O ATOM 424 CB PHE A 56 6.645 -3.140 4.187 1.00 0.00 C ATOM 425 CG PHE A 56 6.961 -2.070 3.177 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.316 -2.407 1.878 1.00 0.00 C ATOM 427 CD2 PHE A 56 6.907 -0.730 3.524 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.611 -1.430 0.949 1.00 0.00 C ATOM 429 CE2 PHE A 56 7.200 0.252 2.597 1.00 0.00 C ATOM 430 CZ PHE A 56 7.553 -0.098 1.308 1.00 0.00 C ATOM 0 H PHE A 56 6.752 -5.078 5.917 1.00 0.00 H new ATOM 0 HA PHE A 56 7.783 -4.664 3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.661 -3.556 3.969 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.588 -2.689 5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.362 -3.447 1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.633 -0.450 4.530 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.887 -1.707 -0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.153 1.293 2.880 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.783 0.669 0.583 1.00 0.00 H new ATOM 440 N THR A 57 9.140 -3.459 5.981 1.00 0.00 N ATOM 441 CA THR A 57 10.387 -2.945 6.554 1.00 0.00 C ATOM 442 C THR A 57 11.567 -3.864 6.229 1.00 0.00 C ATOM 443 O THR A 57 12.692 -3.393 6.055 1.00 0.00 O ATOM 444 CB THR A 57 10.283 -2.762 8.083 1.00 0.00 C ATOM 445 OG1 THR A 57 9.137 -1.962 8.404 1.00 0.00 O ATOM 446 CG2 THR A 57 11.535 -2.101 8.640 1.00 0.00 C ATOM 0 H THR A 57 8.385 -3.577 6.657 1.00 0.00 H new ATOM 0 HA THR A 57 10.560 -1.969 6.100 1.00 0.00 H new ATOM 0 HB THR A 57 10.180 -3.748 8.535 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.077 -1.852 9.376 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.435 -1.984 9.719 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.403 -2.723 8.421 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.665 -1.122 8.179 1.00 0.00 H new ATOM 454 N LYS A 58 11.308 -5.171 6.148 1.00 0.00 N ATOM 455 CA LYS A 58 12.352 -6.137 5.811 1.00 0.00 C ATOM 456 C LYS A 58 12.900 -5.852 4.416 1.00 0.00 C ATOM 457 O LYS A 58 14.091 -6.024 4.159 1.00 0.00 O ATOM 458 CB LYS A 58 11.808 -7.565 5.880 1.00 0.00 C ATOM 459 CG LYS A 58 11.647 -8.086 7.298 1.00 0.00 C ATOM 460 CD LYS A 58 10.937 -9.429 7.321 1.00 0.00 C ATOM 461 CE LYS A 58 10.838 -9.984 8.733 1.00 0.00 C ATOM 462 NZ LYS A 58 10.176 -11.318 8.762 1.00 0.00 N ATOM 0 H LYS A 58 10.389 -5.582 6.311 1.00 0.00 H new ATOM 0 HA LYS A 58 13.159 -6.039 6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.842 -7.602 5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.478 -8.227 5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.627 -8.184 7.764 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.083 -7.365 7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.937 -9.320 6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.473 -10.136 6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.837 -10.065 9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.279 -9.288 9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.129 -11.661 9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.213 -11.236 8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.723 -11.990 8.187 1.00 0.00 H new ATOM 476 N GLU A 59 12.016 -5.410 3.522 1.00 0.00 N ATOM 477 CA GLU A 59 12.397 -5.068 2.160 1.00 0.00 C ATOM 478 C GLU A 59 13.047 -3.686 2.132 1.00 0.00 C ATOM 479 O GLU A 59 14.013 -3.458 1.402 1.00 0.00 O ATOM 480 CB GLU A 59 11.165 -5.085 1.250 1.00 0.00 C ATOM 481 CG GLU A 59 11.463 -4.698 -0.189 1.00 0.00 C ATOM 482 CD GLU A 59 10.239 -4.765 -1.082 1.00 0.00 C ATOM 483 OE1 GLU A 59 9.385 -3.857 -0.991 1.00 0.00 O ATOM 484 OE2 GLU A 59 10.140 -5.723 -1.876 1.00 0.00 O ATOM 0 H GLU A 59 11.024 -5.281 3.723 1.00 0.00 H new ATOM 0 HA GLU A 59 13.114 -5.805 1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.727 -6.083 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.417 -4.402 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.869 -3.686 -0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.233 -5.359 -0.586 1.00 0.00 H new ATOM 491 N GLN A 60 12.502 -2.770 2.937 1.00 0.00 N ATOM 492 CA GLN A 60 13.014 -1.404 3.029 1.00 0.00 C ATOM 493 C GLN A 60 14.477 -1.380 3.467 1.00 0.00 C ATOM 494 O GLN A 60 15.229 -0.487 3.081 1.00 0.00 O ATOM 495 CB GLN A 60 12.171 -0.590 4.014 1.00 0.00 C ATOM 496 CG GLN A 60 10.685 -0.614 3.705 1.00 0.00 C ATOM 497 CD GLN A 60 9.933 0.536 4.345 1.00 0.00 C ATOM 498 OE1 GLN A 60 9.452 0.426 5.474 1.00 0.00 O ATOM 499 NE2 GLN A 60 9.826 1.648 3.626 1.00 0.00 N ATOM 0 H GLN A 60 11.699 -2.954 3.539 1.00 0.00 H new ATOM 0 HA GLN A 60 12.949 -0.961 2.035 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.331 -0.975 5.021 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.518 0.443 4.009 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.543 -0.579 2.625 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.262 -1.557 4.052 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.240 1.695 2.695 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.330 2.455 4.005 1.00 0.00 H new ATOM 508 N GLN A 61 14.871 -2.356 4.284 1.00 0.00 N ATOM 509 CA GLN A 61 16.250 -2.441 4.767 1.00 0.00 C ATOM 510 C GLN A 61 17.149 -3.187 3.777 1.00 0.00 C ATOM 511 O GLN A 61 18.313 -2.824 3.599 1.00 0.00 O ATOM 512 CB GLN A 61 16.297 -3.119 6.140 1.00 0.00 C ATOM 513 CG GLN A 61 15.802 -4.557 6.138 1.00 0.00 C ATOM 514 CD GLN A 61 15.752 -5.160 7.530 1.00 0.00 C ATOM 515 OE1 GLN A 61 16.725 -5.751 7.997 1.00 0.00 O ATOM 516 NE2 GLN A 61 14.613 -5.013 8.199 1.00 0.00 N ATOM 0 H GLN A 61 14.258 -3.097 4.625 1.00 0.00 H new ATOM 0 HA GLN A 61 16.629 -1.423 4.861 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.323 -3.099 6.508 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.696 -2.540 6.840 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.807 -4.594 5.694 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.455 -5.161 5.508 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.832 -4.515 7.772 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.520 -5.398 9.139 1.00 0.00 H new ATOM 525 N ARG A 62 16.607 -4.223 3.136 1.00 0.00 N ATOM 526 CA ARG A 62 17.369 -5.012 2.163 1.00 0.00 C ATOM 527 C ARG A 62 17.608 -4.238 0.865 1.00 0.00 C ATOM 528 O ARG A 62 18.635 -4.421 0.209 1.00 0.00 O ATOM 529 CB ARG A 62 16.642 -6.325 1.854 1.00 0.00 C ATOM 530 CG ARG A 62 16.668 -7.321 3.002 1.00 0.00 C ATOM 531 CD ARG A 62 15.861 -8.573 2.683 1.00 0.00 C ATOM 532 NE ARG A 62 14.430 -8.287 2.533 1.00 0.00 N ATOM 533 CZ ARG A 62 13.453 -9.137 2.863 1.00 0.00 C ATOM 534 NH1 ARG A 62 13.735 -10.339 3.361 1.00 0.00 N ATOM 535 NH2 ARG A 62 12.183 -8.782 2.691 1.00 0.00 N ATOM 0 H ARG A 62 15.646 -4.536 3.271 1.00 0.00 H new ATOM 0 HA ARG A 62 18.339 -5.229 2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.605 -6.105 1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.096 -6.784 0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.699 -7.599 3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.269 -6.850 3.901 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.238 -9.022 1.764 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.002 -9.306 3.477 1.00 0.00 H new ATOM 0 HE ARG A 62 14.163 -7.379 2.152 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.706 -10.621 3.495 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.980 -10.978 3.609 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.957 -7.864 2.308 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.434 -9.428 2.942 1.00 0.00 H new ATOM 549 N LEU A 63 16.660 -3.374 0.501 1.00 0.00 N ATOM 550 CA LEU A 63 16.754 -2.582 -0.727 1.00 0.00 C ATOM 551 C LEU A 63 17.096 -1.116 -0.442 1.00 0.00 C ATOM 552 O LEU A 63 17.765 -0.468 -1.249 1.00 0.00 O ATOM 553 CB LEU A 63 15.431 -2.658 -1.495 1.00 0.00 C ATOM 554 CG LEU A 63 14.851 -4.065 -1.664 1.00 0.00 C ATOM 555 CD1 LEU A 63 13.605 -4.025 -2.530 1.00 0.00 C ATOM 556 CD2 LEU A 63 15.885 -5.008 -2.262 1.00 0.00 C ATOM 0 H LEU A 63 15.813 -3.204 1.043 1.00 0.00 H new ATOM 0 HA LEU A 63 17.562 -3.002 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.696 -2.039 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.578 -2.223 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 63 14.577 -4.441 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.206 -5.033 -2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.856 -3.387 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.857 -3.626 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.450 -6.001 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 63 16.195 -4.636 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.752 -5.063 -1.603 1.00 0.00 H new ATOM 568 N GLY A 64 16.636 -0.597 0.699 1.00 0.00 N ATOM 569 CA GLY A 64 16.901 0.793 1.048 1.00 0.00 C ATOM 570 C GLY A 64 15.686 1.698 0.871 1.00 0.00 C ATOM 571 O GLY A 64 15.769 2.902 1.117 1.00 0.00 O ATOM 0 H GLY A 64 16.086 -1.113 1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.236 0.843 2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.718 1.167 0.430 1.00 0.00 H new ATOM 575 N ILE A 65 14.559 1.117 0.440 1.00 0.00 N ATOM 576 CA ILE A 65 13.322 1.874 0.235 1.00 0.00 C ATOM 577 C ILE A 65 12.915 2.614 1.514 1.00 0.00 C ATOM 578 O ILE A 65 12.735 1.993 2.561 1.00 0.00 O ATOM 579 CB ILE A 65 12.163 0.948 -0.204 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.551 0.161 -1.461 1.00 0.00 C ATOM 581 CG2 ILE A 65 10.898 1.760 -0.453 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.668 -1.040 -1.723 1.00 0.00 C ATOM 0 H ILE A 65 14.481 0.123 0.227 1.00 0.00 H new ATOM 0 HA ILE A 65 13.517 2.598 -0.556 1.00 0.00 H new ATOM 0 HB ILE A 65 11.965 0.238 0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.509 0.827 -2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.584 -0.173 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.092 1.093 -0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.611 2.277 0.463 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.084 2.492 -1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.003 -1.547 -2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.728 -1.727 -0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.636 -0.712 -1.851 1.00 0.00 H new ATOM 594 N PRO A 66 12.768 3.953 1.445 1.00 0.00 N ATOM 595 CA PRO A 66 12.388 4.765 2.608 1.00 0.00 C ATOM 596 C PRO A 66 10.899 4.654 2.943 1.00 0.00 C ATOM 597 O PRO A 66 10.127 4.069 2.182 1.00 0.00 O ATOM 598 CB PRO A 66 12.736 6.185 2.167 1.00 0.00 C ATOM 599 CG PRO A 66 12.592 6.167 0.684 1.00 0.00 C ATOM 600 CD PRO A 66 12.968 4.778 0.237 1.00 0.00 C ATOM 0 HA PRO A 66 12.900 4.445 3.515 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.067 6.916 2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.750 6.454 2.463 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.570 6.406 0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.239 6.912 0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.340 4.439 -0.587 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.000 4.735 -0.110 1.00 0.00 H new ATOM 608 N LYS A 67 10.501 5.222 4.082 1.00 0.00 N ATOM 609 CA LYS A 67 9.101 5.189 4.510 1.00 0.00 C ATOM 610 C LYS A 67 8.391 6.501 4.161 1.00 0.00 C ATOM 611 O LYS A 67 7.672 7.068 4.988 1.00 0.00 O ATOM 612 CB LYS A 67 9.009 4.924 6.017 1.00 0.00 C ATOM 613 CG LYS A 67 9.538 3.559 6.434 1.00 0.00 C ATOM 614 CD LYS A 67 9.443 3.354 7.939 1.00 0.00 C ATOM 615 CE LYS A 67 7.996 3.324 8.417 1.00 0.00 C ATOM 616 NZ LYS A 67 7.244 2.159 7.869 1.00 0.00 N ATOM 0 H LYS A 67 11.126 5.709 4.724 1.00 0.00 H new ATOM 0 HA LYS A 67 8.604 4.378 3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.566 5.697 6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.968 5.011 6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.973 2.779 5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.576 3.459 6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.935 2.420 8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.978 4.155 8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.976 3.287 9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.498 4.247 8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.331 2.073 8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.078 2.300 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.798 1.290 8.012 1.00 0.00 H new ATOM 630 N ASP A 68 8.595 6.977 2.930 1.00 0.00 N ATOM 631 CA ASP A 68 7.978 8.220 2.472 1.00 0.00 C ATOM 632 C ASP A 68 7.641 8.150 0.982 1.00 0.00 C ATOM 633 O ASP A 68 8.526 8.269 0.133 1.00 0.00 O ATOM 634 CB ASP A 68 8.911 9.406 2.736 1.00 0.00 C ATOM 635 CG ASP A 68 9.173 9.624 4.214 1.00 0.00 C ATOM 636 OD1 ASP A 68 8.329 10.260 4.879 1.00 0.00 O ATOM 637 OD2 ASP A 68 10.221 9.158 4.707 1.00 0.00 O ATOM 0 H ASP A 68 9.183 6.519 2.234 1.00 0.00 H new ATOM 0 HA ASP A 68 7.052 8.360 3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.858 9.239 2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.473 10.309 2.311 1.00 0.00 H new ATOM 642 N PRO A 69 6.348 7.950 0.652 1.00 0.00 N ATOM 643 CA PRO A 69 5.881 7.873 -0.741 1.00 0.00 C ATOM 644 C PRO A 69 6.236 9.124 -1.539 1.00 0.00 C ATOM 645 O PRO A 69 6.722 9.024 -2.663 1.00 0.00 O ATOM 646 CB PRO A 69 4.362 7.725 -0.604 1.00 0.00 C ATOM 647 CG PRO A 69 4.164 7.164 0.759 1.00 0.00 C ATOM 648 CD PRO A 69 5.240 7.776 1.606 1.00 0.00 C ATOM 0 HA PRO A 69 6.348 7.052 -1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.858 8.685 -0.715 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.957 7.062 -1.369 1.00 0.00 H new ATOM 0 HG2 PRO A 69 3.174 7.410 1.144 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.242 6.077 0.751 1.00 0.00 H new ATOM 0 HD2 PRO A 69 4.924 8.726 2.037 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.519 7.127 2.436 1.00 0.00 H new ATOM 656 N ARG A 70 5.979 10.301 -0.965 1.00 0.00 N ATOM 657 CA ARG A 70 6.313 11.561 -1.632 1.00 0.00 C ATOM 658 C ARG A 70 7.810 11.625 -1.957 1.00 0.00 C ATOM 659 O ARG A 70 8.207 12.209 -2.965 1.00 0.00 O ATOM 660 CB ARG A 70 5.908 12.766 -0.771 1.00 0.00 C ATOM 661 CG ARG A 70 6.643 12.869 0.560 1.00 0.00 C ATOM 662 CD ARG A 70 5.917 12.122 1.669 1.00 0.00 C ATOM 663 NE ARG A 70 6.482 12.409 2.987 1.00 0.00 N ATOM 664 CZ ARG A 70 5.784 12.378 4.125 1.00 0.00 C ATOM 665 NH1 ARG A 70 4.486 12.089 4.116 1.00 0.00 N ATOM 666 NH2 ARG A 70 6.388 12.643 5.278 1.00 0.00 N ATOM 0 H ARG A 70 5.545 10.408 -0.048 1.00 0.00 H new ATOM 0 HA ARG A 70 5.751 11.600 -2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.084 13.679 -1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.837 12.714 -0.577 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.650 12.467 0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.747 13.918 0.837 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.862 12.396 1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.969 11.050 1.478 1.00 0.00 H new ATOM 0 HE ARG A 70 7.472 12.648 3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.014 11.888 3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.962 12.068 4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.382 12.869 5.293 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.857 12.620 6.149 1.00 0.00 H new ATOM 680 N GLN A 71 8.630 11.019 -1.093 1.00 0.00 N ATOM 681 CA GLN A 71 10.079 10.992 -1.285 1.00 0.00 C ATOM 682 C GLN A 71 10.535 9.652 -1.877 1.00 0.00 C ATOM 683 O GLN A 71 11.549 9.088 -1.460 1.00 0.00 O ATOM 684 CB GLN A 71 10.787 11.252 0.047 1.00 0.00 C ATOM 685 CG GLN A 71 10.509 12.629 0.628 1.00 0.00 C ATOM 686 CD GLN A 71 11.064 12.791 2.030 1.00 0.00 C ATOM 687 OE1 GLN A 71 12.194 13.246 2.213 1.00 0.00 O ATOM 688 NE2 GLN A 71 10.274 12.411 3.028 1.00 0.00 N ATOM 0 H GLN A 71 8.311 10.539 -0.251 1.00 0.00 H new ATOM 0 HA GLN A 71 10.345 11.778 -1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.477 10.494 0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.862 11.137 -0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.944 13.388 -0.022 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.433 12.802 0.644 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.345 12.040 2.830 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.596 12.491 3.992 1.00 0.00 H new ATOM 697 N TRP A 72 9.773 9.151 -2.852 1.00 0.00 N ATOM 698 CA TRP A 72 10.090 7.890 -3.522 1.00 0.00 C ATOM 699 C TRP A 72 10.408 8.136 -4.993 1.00 0.00 C ATOM 700 O TRP A 72 10.202 9.241 -5.502 1.00 0.00 O ATOM 701 CB TRP A 72 8.902 6.928 -3.430 1.00 0.00 C ATOM 702 CG TRP A 72 8.975 5.948 -2.302 1.00 0.00 C ATOM 703 CD1 TRP A 72 9.865 5.936 -1.268 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.108 4.830 -2.101 1.00 0.00 C ATOM 705 NE1 TRP A 72 9.602 4.875 -0.436 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.527 4.183 -0.926 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.014 4.314 -2.802 1.00 0.00 C ATOM 708 CZ2 TRP A 72 7.891 3.046 -0.437 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.384 3.186 -2.317 1.00 0.00 C ATOM 710 CH2 TRP A 72 6.824 2.563 -1.144 1.00 0.00 C ATOM 0 H TRP A 72 8.926 9.604 -3.196 1.00 0.00 H new ATOM 0 HA TRP A 72 10.958 7.453 -3.028 1.00 0.00 H new ATOM 0 HB2 TRP A 72 7.987 7.511 -3.327 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.825 6.377 -4.367 1.00 0.00 H new ATOM 0 HD1 TRP A 72 10.659 6.654 -1.125 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.123 4.641 0.409 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.668 4.790 -3.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.228 2.562 0.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.539 2.778 -2.851 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.310 1.682 -0.789 1.00 0.00 H new ATOM 721 N THR A 73 10.909 7.109 -5.679 1.00 0.00 N ATOM 722 CA THR A 73 11.203 7.225 -7.103 1.00 0.00 C ATOM 723 C THR A 73 10.595 6.042 -7.863 1.00 0.00 C ATOM 724 O THR A 73 9.956 5.180 -7.258 1.00 0.00 O ATOM 725 CB THR A 73 12.722 7.318 -7.373 1.00 0.00 C ATOM 726 OG1 THR A 73 12.966 7.583 -8.759 1.00 0.00 O ATOM 727 CG2 THR A 73 13.428 6.031 -6.965 1.00 0.00 C ATOM 0 H THR A 73 11.117 6.196 -5.274 1.00 0.00 H new ATOM 0 HA THR A 73 10.753 8.151 -7.460 1.00 0.00 H new ATOM 0 HB THR A 73 13.119 8.138 -6.775 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.932 7.641 -8.916 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.496 6.122 -7.165 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.272 5.852 -5.901 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.022 5.196 -7.536 1.00 0.00 H new ATOM 735 N GLU A 74 10.789 6.000 -9.183 1.00 0.00 N ATOM 736 CA GLU A 74 10.238 4.922 -10.009 1.00 0.00 C ATOM 737 C GLU A 74 10.567 3.541 -9.440 1.00 0.00 C ATOM 738 O GLU A 74 9.705 2.662 -9.405 1.00 0.00 O ATOM 739 CB GLU A 74 10.755 5.031 -11.447 1.00 0.00 C ATOM 740 CG GLU A 74 10.331 6.311 -12.148 1.00 0.00 C ATOM 741 CD GLU A 74 10.659 6.306 -13.628 1.00 0.00 C ATOM 742 OE1 GLU A 74 11.791 6.689 -13.988 1.00 0.00 O ATOM 743 OE2 GLU A 74 9.780 5.919 -14.429 1.00 0.00 O ATOM 0 H GLU A 74 11.322 6.698 -9.702 1.00 0.00 H new ATOM 0 HA GLU A 74 9.154 5.034 -10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.843 4.974 -11.439 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.395 4.176 -12.020 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.258 6.452 -12.019 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.824 7.160 -11.674 1.00 0.00 H new ATOM 750 N THR A 75 11.810 3.355 -8.993 1.00 0.00 N ATOM 751 CA THR A 75 12.239 2.076 -8.427 1.00 0.00 C ATOM 752 C THR A 75 11.446 1.733 -7.165 1.00 0.00 C ATOM 753 O THR A 75 10.919 0.630 -7.041 1.00 0.00 O ATOM 754 CB THR A 75 13.744 2.079 -8.093 1.00 0.00 C ATOM 755 OG1 THR A 75 14.502 2.463 -9.248 1.00 0.00 O ATOM 756 CG2 THR A 75 14.203 0.707 -7.617 1.00 0.00 C ATOM 0 H THR A 75 12.535 4.072 -9.012 1.00 0.00 H new ATOM 0 HA THR A 75 12.048 1.319 -9.188 1.00 0.00 H new ATOM 0 HB THR A 75 13.909 2.797 -7.290 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.457 2.464 -9.027 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.268 0.739 -7.389 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.648 0.428 -6.721 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.022 -0.029 -8.400 1.00 0.00 H new ATOM 764 N HIS A 76 11.371 2.686 -6.232 1.00 0.00 N ATOM 765 CA HIS A 76 10.639 2.483 -4.978 1.00 0.00 C ATOM 766 C HIS A 76 9.155 2.222 -5.241 1.00 0.00 C ATOM 767 O HIS A 76 8.543 1.372 -4.594 1.00 0.00 O ATOM 768 CB HIS A 76 10.799 3.692 -4.050 1.00 0.00 C ATOM 769 CG HIS A 76 12.211 3.933 -3.606 1.00 0.00 C ATOM 770 ND1 HIS A 76 12.701 5.187 -3.305 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.239 3.074 -3.404 1.00 0.00 C ATOM 772 CE1 HIS A 76 13.967 5.088 -2.940 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.316 3.817 -2.990 1.00 0.00 N ATOM 0 H HIS A 76 11.807 3.604 -6.320 1.00 0.00 H new ATOM 0 HA HIS A 76 11.064 1.606 -4.489 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.432 4.582 -4.562 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.171 3.549 -3.171 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.215 2.003 -3.543 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.607 5.908 -2.650 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.238 3.446 -2.758 1.00 0.00 H new ATOM 782 N VAL A 77 8.586 2.963 -6.193 1.00 0.00 N ATOM 783 CA VAL A 77 7.177 2.816 -6.561 1.00 0.00 C ATOM 784 C VAL A 77 6.905 1.435 -7.158 1.00 0.00 C ATOM 785 O VAL A 77 6.005 0.723 -6.713 1.00 0.00 O ATOM 786 CB VAL A 77 6.761 3.898 -7.583 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.358 3.633 -8.118 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.837 5.277 -6.946 1.00 0.00 C ATOM 0 H VAL A 77 9.084 3.676 -6.727 1.00 0.00 H new ATOM 0 HA VAL A 77 6.590 2.933 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 77 7.454 3.860 -8.424 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.090 4.409 -8.835 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.334 2.660 -8.609 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.646 3.640 -7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.542 6.031 -7.675 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.166 5.319 -6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.858 5.470 -6.617 1.00 0.00 H new ATOM 798 N ARG A 78 7.702 1.075 -8.167 1.00 0.00 N ATOM 799 CA ARG A 78 7.572 -0.209 -8.855 1.00 0.00 C ATOM 800 C ARG A 78 7.915 -1.376 -7.931 1.00 0.00 C ATOM 801 O ARG A 78 7.165 -2.350 -7.858 1.00 0.00 O ATOM 802 CB ARG A 78 8.472 -0.227 -10.099 1.00 0.00 C ATOM 803 CG ARG A 78 8.511 -1.565 -10.828 1.00 0.00 C ATOM 804 CD ARG A 78 9.554 -2.503 -10.233 1.00 0.00 C ATOM 805 NE ARG A 78 10.909 -1.953 -10.316 1.00 0.00 N ATOM 806 CZ ARG A 78 11.935 -2.378 -9.572 1.00 0.00 C ATOM 807 NH1 ARG A 78 11.769 -3.354 -8.683 1.00 0.00 N ATOM 808 NH2 ARG A 78 13.132 -1.822 -9.720 1.00 0.00 N ATOM 0 H ARG A 78 8.453 1.664 -8.528 1.00 0.00 H new ATOM 0 HA ARG A 78 6.533 -0.327 -9.161 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.129 0.541 -10.792 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.486 0.041 -9.803 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.529 -2.035 -10.778 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.731 -1.398 -11.882 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.308 -2.701 -9.190 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.520 -3.459 -10.756 1.00 0.00 H new ATOM 0 HE ARG A 78 11.080 -1.200 -10.982 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.852 -3.785 -8.564 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.558 -3.671 -8.120 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.266 -1.073 -10.400 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.917 -2.144 -9.154 1.00 0.00 H new ATOM 822 N ASP A 79 9.048 -1.286 -7.237 1.00 0.00 N ATOM 823 CA ASP A 79 9.461 -2.351 -6.328 1.00 0.00 C ATOM 824 C ASP A 79 8.422 -2.565 -5.226 1.00 0.00 C ATOM 825 O ASP A 79 8.185 -3.699 -4.806 1.00 0.00 O ATOM 826 CB ASP A 79 10.830 -2.046 -5.714 1.00 0.00 C ATOM 827 CG ASP A 79 11.395 -3.227 -4.948 1.00 0.00 C ATOM 828 OD1 ASP A 79 10.970 -3.442 -3.793 1.00 0.00 O ATOM 829 OD2 ASP A 79 12.258 -3.938 -5.504 1.00 0.00 O ATOM 0 H ASP A 79 9.690 -0.495 -7.286 1.00 0.00 H new ATOM 0 HA ASP A 79 9.540 -3.270 -6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.525 -1.763 -6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.743 -1.190 -5.045 1.00 0.00 H new ATOM 834 N TRP A 80 7.802 -1.473 -4.765 1.00 0.00 N ATOM 835 CA TRP A 80 6.790 -1.573 -3.718 1.00 0.00 C ATOM 836 C TRP A 80 5.535 -2.253 -4.266 1.00 0.00 C ATOM 837 O TRP A 80 5.172 -3.335 -3.810 1.00 0.00 O ATOM 838 CB TRP A 80 6.449 -0.200 -3.125 1.00 0.00 C ATOM 839 CG TRP A 80 5.167 -0.199 -2.344 1.00 0.00 C ATOM 840 CD1 TRP A 80 4.958 -0.736 -1.107 1.00 0.00 C ATOM 841 CD2 TRP A 80 3.914 0.357 -2.759 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.651 -0.550 -0.728 1.00 0.00 N ATOM 843 CE2 TRP A 80 2.990 0.119 -1.725 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.485 1.033 -3.905 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.664 0.533 -1.804 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.169 1.443 -3.981 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.272 1.191 -2.937 1.00 0.00 C ATOM 0 H TRP A 80 7.982 -0.525 -5.097 1.00 0.00 H new ATOM 0 HA TRP A 80 7.200 -2.181 -2.911 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.263 0.121 -2.476 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.377 0.530 -3.931 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.710 -1.234 -0.513 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.239 -0.859 0.152 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.170 1.231 -4.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.969 0.342 -1.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.826 1.967 -4.861 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.248 1.523 -3.028 1.00 0.00 H new ATOM 858 N VAL A 81 4.864 -1.597 -5.223 1.00 0.00 N ATOM 859 CA VAL A 81 3.661 -2.155 -5.849 1.00 0.00 C ATOM 860 C VAL A 81 3.824 -3.652 -6.137 1.00 0.00 C ATOM 861 O VAL A 81 2.942 -4.447 -5.812 1.00 0.00 O ATOM 862 CB VAL A 81 3.293 -1.400 -7.152 1.00 0.00 C ATOM 863 CG1 VAL A 81 4.393 -1.512 -8.197 1.00 0.00 C ATOM 864 CG2 VAL A 81 1.969 -1.903 -7.709 1.00 0.00 C ATOM 0 H VAL A 81 5.135 -0.680 -5.579 1.00 0.00 H new ATOM 0 HA VAL A 81 2.845 -2.026 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 81 3.186 -0.345 -6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.098 -0.970 -9.096 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.315 -1.085 -7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.556 -2.561 -8.443 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.729 -1.360 -8.623 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.048 -2.968 -7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.180 -1.742 -6.974 1.00 0.00 H new ATOM 874 N MET A 82 4.959 -4.030 -6.736 1.00 0.00 N ATOM 875 CA MET A 82 5.246 -5.434 -7.045 1.00 0.00 C ATOM 876 C MET A 82 5.256 -6.263 -5.761 1.00 0.00 C ATOM 877 O MET A 82 4.645 -7.331 -5.692 1.00 0.00 O ATOM 878 CB MET A 82 6.599 -5.554 -7.756 1.00 0.00 C ATOM 879 CG MET A 82 6.987 -6.984 -8.108 1.00 0.00 C ATOM 880 SD MET A 82 5.938 -7.699 -9.391 1.00 0.00 S ATOM 881 CE MET A 82 6.429 -6.730 -10.816 1.00 0.00 C ATOM 0 H MET A 82 5.694 -3.381 -7.017 1.00 0.00 H new ATOM 0 HA MET A 82 4.466 -5.813 -7.705 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.572 -4.960 -8.670 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.372 -5.124 -7.119 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.025 -7.002 -8.442 1.00 0.00 H new ATOM 0 HG3 MET A 82 6.929 -7.602 -7.212 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.904 -7.092 -11.700 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.178 -5.683 -10.648 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.504 -6.825 -10.968 1.00 0.00 H new ATOM 891 N TRP A 83 5.962 -5.754 -4.751 1.00 0.00 N ATOM 892 CA TRP A 83 6.060 -6.412 -3.451 1.00 0.00 C ATOM 893 C TRP A 83 4.678 -6.544 -2.796 1.00 0.00 C ATOM 894 O TRP A 83 4.380 -7.561 -2.169 1.00 0.00 O ATOM 895 CB TRP A 83 7.020 -5.622 -2.548 1.00 0.00 C ATOM 896 CG TRP A 83 6.887 -5.927 -1.086 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.632 -6.808 -0.360 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.952 -5.341 -0.174 1.00 0.00 C ATOM 899 NE1 TRP A 83 7.220 -6.806 0.949 1.00 0.00 N ATOM 900 CE2 TRP A 83 6.186 -5.917 1.087 1.00 0.00 C ATOM 901 CE3 TRP A 83 4.938 -4.387 -0.303 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.441 -5.569 2.212 1.00 0.00 C ATOM 903 CZ3 TRP A 83 4.202 -4.043 0.813 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.455 -4.634 2.057 1.00 0.00 C ATOM 0 H TRP A 83 6.480 -4.877 -4.812 1.00 0.00 H new ATOM 0 HA TRP A 83 6.453 -7.419 -3.593 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.044 -5.829 -2.858 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.850 -4.556 -2.701 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.430 -7.418 -0.757 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.618 -7.373 1.697 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.734 -3.927 -1.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.635 -6.022 3.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.418 -3.306 0.725 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.860 -4.346 2.911 1.00 0.00 H new ATOM 915 N ALA A 84 3.839 -5.517 -2.957 1.00 0.00 N ATOM 916 CA ALA A 84 2.491 -5.520 -2.386 1.00 0.00 C ATOM 917 C ALA A 84 1.568 -6.489 -3.134 1.00 0.00 C ATOM 918 O ALA A 84 0.536 -6.905 -2.606 1.00 0.00 O ATOM 919 CB ALA A 84 1.906 -4.115 -2.397 1.00 0.00 C ATOM 0 H ALA A 84 4.071 -4.672 -3.479 1.00 0.00 H new ATOM 0 HA ALA A 84 2.568 -5.862 -1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.904 -4.135 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.539 -3.453 -1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.855 -3.750 -3.423 1.00 0.00 H new ATOM 925 N VAL A 85 1.956 -6.848 -4.362 1.00 0.00 N ATOM 926 CA VAL A 85 1.178 -7.775 -5.177 1.00 0.00 C ATOM 927 C VAL A 85 1.510 -9.218 -4.796 1.00 0.00 C ATOM 928 O VAL A 85 0.654 -10.099 -4.862 1.00 0.00 O ATOM 929 CB VAL A 85 1.443 -7.560 -6.685 1.00 0.00 C ATOM 930 CG1 VAL A 85 0.843 -8.689 -7.512 1.00 0.00 C ATOM 931 CG2 VAL A 85 0.883 -6.220 -7.133 1.00 0.00 C ATOM 0 H VAL A 85 2.807 -6.508 -4.810 1.00 0.00 H new ATOM 0 HA VAL A 85 0.123 -7.581 -4.985 1.00 0.00 H new ATOM 0 HB VAL A 85 2.521 -7.561 -6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.044 -8.513 -8.569 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.289 -9.637 -7.211 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.234 -8.727 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.077 -6.082 -8.197 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.192 -6.197 -6.954 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.362 -5.419 -6.570 1.00 0.00 H new ATOM 941 N ASN A 86 2.765 -9.448 -4.402 1.00 0.00 N ATOM 942 CA ASN A 86 3.219 -10.776 -3.996 1.00 0.00 C ATOM 943 C ASN A 86 2.820 -11.068 -2.549 1.00 0.00 C ATOM 944 O ASN A 86 2.523 -12.212 -2.199 1.00 0.00 O ATOM 945 CB ASN A 86 4.740 -10.888 -4.152 1.00 0.00 C ATOM 946 CG ASN A 86 5.206 -10.613 -5.573 1.00 0.00 C ATOM 947 OD1 ASN A 86 4.503 -10.911 -6.540 1.00 0.00 O ATOM 948 ND2 ASN A 86 6.396 -10.037 -5.706 1.00 0.00 N ATOM 0 H ASN A 86 3.485 -8.727 -4.356 1.00 0.00 H new ATOM 0 HA ASN A 86 2.740 -11.511 -4.642 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.223 -10.185 -3.473 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.059 -11.888 -3.856 1.00 0.00 H new ATOM 0 HD21 ASN A 86 6.759 -9.825 -6.635 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.946 -9.807 -4.879 1.00 0.00 H new ATOM 955 N GLU A 87 2.811 -10.026 -1.712 1.00 0.00 N ATOM 956 CA GLU A 87 2.445 -10.164 -0.303 1.00 0.00 C ATOM 957 C GLU A 87 0.937 -10.368 -0.146 1.00 0.00 C ATOM 958 O GLU A 87 0.497 -11.167 0.682 1.00 0.00 O ATOM 959 CB GLU A 87 2.886 -8.926 0.486 1.00 0.00 C ATOM 960 CG GLU A 87 4.395 -8.741 0.548 1.00 0.00 C ATOM 961 CD GLU A 87 5.069 -9.689 1.521 1.00 0.00 C ATOM 962 OE1 GLU A 87 5.317 -10.854 1.143 1.00 0.00 O ATOM 963 OE2 GLU A 87 5.351 -9.265 2.663 1.00 0.00 O ATOM 0 H GLU A 87 3.054 -9.075 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 87 2.956 -11.042 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.439 -8.041 0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.496 -8.996 1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.815 -8.891 -0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.618 -7.714 0.837 1.00 0.00 H new ATOM 970 N PHE A 88 0.153 -9.642 -0.947 1.00 0.00 N ATOM 971 CA PHE A 88 -1.306 -9.745 -0.898 1.00 0.00 C ATOM 972 C PHE A 88 -1.859 -10.591 -2.052 1.00 0.00 C ATOM 973 O PHE A 88 -3.077 -10.675 -2.229 1.00 0.00 O ATOM 974 CB PHE A 88 -1.938 -8.350 -0.936 1.00 0.00 C ATOM 975 CG PHE A 88 -1.819 -7.593 0.357 1.00 0.00 C ATOM 976 CD1 PHE A 88 -0.681 -6.855 0.643 1.00 0.00 C ATOM 977 CD2 PHE A 88 -2.849 -7.616 1.283 1.00 0.00 C ATOM 978 CE1 PHE A 88 -0.574 -6.156 1.830 1.00 0.00 C ATOM 979 CE2 PHE A 88 -2.748 -6.920 2.471 1.00 0.00 C ATOM 980 CZ PHE A 88 -1.609 -6.189 2.744 1.00 0.00 C ATOM 0 H PHE A 88 0.505 -8.977 -1.636 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.564 -10.241 0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.468 -7.770 -1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.993 -8.446 -1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.130 -6.826 -0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.742 -8.186 1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.317 -5.585 2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.558 -6.947 3.185 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.527 -5.643 3.672 1.00 0.00 H new ATOM 990 N SER A 89 -0.965 -11.229 -2.825 1.00 0.00 N ATOM 991 CA SER A 89 -1.369 -12.055 -3.967 1.00 0.00 C ATOM 992 C SER A 89 -2.441 -11.350 -4.801 1.00 0.00 C ATOM 993 O SER A 89 -3.519 -11.898 -5.042 1.00 0.00 O ATOM 994 CB SER A 89 -1.874 -13.420 -3.487 1.00 0.00 C ATOM 995 OG SER A 89 -0.869 -14.116 -2.772 1.00 0.00 O ATOM 0 H SER A 89 0.043 -11.186 -2.677 1.00 0.00 H new ATOM 0 HA SER A 89 -0.495 -12.209 -4.600 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.748 -13.284 -2.851 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.192 -14.014 -4.343 1.00 0.00 H new ATOM 0 HG SER A 89 -1.219 -14.982 -2.476 1.00 0.00 H new ATOM 1001 N LEU A 90 -2.133 -10.129 -5.244 1.00 0.00 N ATOM 1002 CA LEU A 90 -3.073 -9.341 -6.033 1.00 0.00 C ATOM 1003 C LEU A 90 -3.022 -9.729 -7.510 1.00 0.00 C ATOM 1004 O LEU A 90 -2.120 -10.450 -7.942 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.785 -7.846 -5.859 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.782 -7.354 -4.408 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.602 -5.845 -4.353 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -4.064 -7.768 -3.700 1.00 0.00 C ATOM 0 H LEU A 90 -1.240 -9.668 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.079 -9.552 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.816 -7.623 -6.305 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.530 -7.280 -6.418 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.941 -7.817 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.603 -5.516 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.654 -5.574 -4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.420 -5.361 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.043 -7.410 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.921 -7.337 -4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.147 -8.855 -3.704 1.00 0.00 H new ATOM 1020 N LYS A 91 -3.994 -9.243 -8.282 1.00 0.00 N ATOM 1021 CA LYS A 91 -4.068 -9.551 -9.710 1.00 0.00 C ATOM 1022 C LYS A 91 -4.736 -8.423 -10.499 1.00 0.00 C ATOM 1023 O LYS A 91 -5.540 -7.662 -9.957 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.842 -10.855 -9.921 1.00 0.00 C ATOM 1025 CG LYS A 91 -6.267 -10.808 -9.391 1.00 0.00 C ATOM 1026 CD LYS A 91 -6.654 -12.112 -8.714 1.00 0.00 C ATOM 1027 CE LYS A 91 -8.063 -12.052 -8.140 1.00 0.00 C ATOM 1028 NZ LYS A 91 -9.097 -11.892 -9.204 1.00 0.00 N ATOM 0 H LYS A 91 -4.740 -8.635 -7.943 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.048 -9.661 -10.079 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.866 -11.085 -10.986 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.307 -11.669 -9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.365 -9.986 -8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.955 -10.605 -10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.588 -12.929 -9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.945 -12.332 -7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.263 -12.963 -7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.133 -11.220 -7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.043 -12.008 -8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.018 -10.944 -9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.951 -12.612 -9.941 1.00 0.00 H new ATOM 1042 N GLY A 92 -4.388 -8.326 -11.784 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.964 -7.303 -12.644 1.00 0.00 C ATOM 1044 C GLY A 92 -4.293 -5.941 -12.522 1.00 0.00 C ATOM 1045 O GLY A 92 -4.596 -5.035 -13.301 1.00 0.00 O ATOM 0 H GLY A 92 -3.716 -8.940 -12.244 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.901 -7.636 -13.680 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.023 -7.198 -12.407 1.00 0.00 H new ATOM 1049 N VAL A 93 -3.381 -5.785 -11.556 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.692 -4.513 -11.356 1.00 0.00 C ATOM 1051 C VAL A 93 -1.652 -4.272 -12.447 1.00 0.00 C ATOM 1052 O VAL A 93 -0.852 -5.153 -12.766 1.00 0.00 O ATOM 1053 CB VAL A 93 -2.016 -4.435 -9.968 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.885 -5.448 -9.849 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.508 -3.025 -9.696 1.00 0.00 C ATOM 0 H VAL A 93 -3.107 -6.521 -10.906 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.452 -3.734 -11.410 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.765 -4.681 -9.216 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.429 -5.370 -8.862 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.282 -6.454 -9.986 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.134 -5.247 -10.613 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.036 -2.992 -8.714 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.780 -2.747 -10.458 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.344 -2.326 -9.720 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.680 -3.070 -13.016 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.751 -2.699 -14.075 1.00 0.00 C ATOM 1067 C ASP A 94 0.404 -1.867 -13.526 1.00 0.00 C ATOM 1068 O ASP A 94 0.191 -0.898 -12.793 1.00 0.00 O ATOM 1069 CB ASP A 94 -1.487 -1.916 -15.164 1.00 0.00 C ATOM 1070 CG ASP A 94 -2.588 -2.728 -15.821 1.00 0.00 C ATOM 1071 OD1 ASP A 94 -3.734 -2.687 -15.324 1.00 0.00 O ATOM 1072 OD2 ASP A 94 -2.305 -3.404 -16.832 1.00 0.00 O ATOM 0 H ASP A 94 -2.339 -2.335 -12.759 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.339 -3.613 -14.502 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.916 -1.013 -14.730 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.773 -1.597 -15.923 1.00 0.00 H new ATOM 1077 N PHE A 95 1.627 -2.254 -13.889 1.00 0.00 N ATOM 1078 CA PHE A 95 2.824 -1.542 -13.443 1.00 0.00 C ATOM 1079 C PHE A 95 3.141 -0.374 -14.380 1.00 0.00 C ATOM 1080 O PHE A 95 3.813 0.578 -13.980 1.00 0.00 O ATOM 1081 CB PHE A 95 4.014 -2.499 -13.340 1.00 0.00 C ATOM 1082 CG PHE A 95 3.770 -3.646 -12.397 1.00 0.00 C ATOM 1083 CD1 PHE A 95 3.885 -3.470 -11.027 1.00 0.00 C ATOM 1084 CD2 PHE A 95 3.418 -4.896 -12.881 1.00 0.00 C ATOM 1085 CE1 PHE A 95 3.653 -4.518 -10.157 1.00 0.00 C ATOM 1086 CE2 PHE A 95 3.184 -5.948 -12.015 1.00 0.00 C ATOM 1087 CZ PHE A 95 3.302 -5.759 -10.652 1.00 0.00 C ATOM 0 H PHE A 95 1.814 -3.056 -14.490 1.00 0.00 H new ATOM 0 HA PHE A 95 2.630 -1.135 -12.451 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.242 -2.893 -14.330 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.891 -1.944 -13.008 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.159 -2.502 -10.635 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.326 -5.050 -13.946 1.00 0.00 H new ATOM 0 HE1 PHE A 95 3.746 -4.367 -9.092 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.909 -6.917 -12.404 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.120 -6.580 -9.974 1.00 0.00 H new ATOM 1097 N GLN A 96 2.656 -0.451 -15.625 1.00 0.00 N ATOM 1098 CA GLN A 96 2.850 0.627 -16.596 1.00 0.00 C ATOM 1099 C GLN A 96 2.181 1.905 -16.087 1.00 0.00 C ATOM 1100 O GLN A 96 2.683 3.010 -16.295 1.00 0.00 O ATOM 1101 CB GLN A 96 2.264 0.240 -17.958 1.00 0.00 C ATOM 1102 CG GLN A 96 2.971 -0.934 -18.616 1.00 0.00 C ATOM 1103 CD GLN A 96 2.423 -1.247 -19.996 1.00 0.00 C ATOM 1104 OE1 GLN A 96 2.903 -0.721 -21.000 1.00 0.00 O ATOM 1105 NE2 GLN A 96 1.411 -2.108 -20.054 1.00 0.00 N ATOM 0 H GLN A 96 2.128 -1.248 -15.981 1.00 0.00 H new ATOM 0 HA GLN A 96 3.920 0.799 -16.717 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.209 -0.006 -17.833 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.314 1.102 -18.623 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.036 -0.715 -18.693 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.872 -1.815 -17.982 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.043 -2.521 -19.197 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.003 -2.355 -20.955 1.00 0.00 H new ATOM 1114 N LYS A 97 1.040 1.729 -15.412 1.00 0.00 N ATOM 1115 CA LYS A 97 0.285 2.838 -14.835 1.00 0.00 C ATOM 1116 C LYS A 97 1.071 3.523 -13.715 1.00 0.00 C ATOM 1117 O LYS A 97 0.971 4.737 -13.535 1.00 0.00 O ATOM 1118 CB LYS A 97 -1.048 2.327 -14.280 1.00 0.00 C ATOM 1119 CG LYS A 97 -2.186 2.367 -15.287 1.00 0.00 C ATOM 1120 CD LYS A 97 -1.918 1.462 -16.479 1.00 0.00 C ATOM 1121 CE LYS A 97 -3.074 1.485 -17.469 1.00 0.00 C ATOM 1122 NZ LYS A 97 -3.249 2.825 -18.097 1.00 0.00 N ATOM 0 H LYS A 97 0.618 0.814 -15.252 1.00 0.00 H new ATOM 0 HA LYS A 97 0.104 3.567 -15.625 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.918 1.302 -13.933 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.323 2.925 -13.411 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.113 2.062 -14.800 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.329 3.391 -15.633 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.003 1.779 -16.979 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.755 0.441 -16.133 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.900 0.741 -18.246 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.994 1.202 -16.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.942 2.758 -18.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.590 3.501 -17.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.338 3.152 -18.476 1.00 0.00 H new ATOM 1136 N PHE A 98 1.850 2.737 -12.966 1.00 0.00 N ATOM 1137 CA PHE A 98 2.643 3.271 -11.861 1.00 0.00 C ATOM 1138 C PHE A 98 4.113 3.451 -12.254 1.00 0.00 C ATOM 1139 O PHE A 98 5.005 3.355 -11.407 1.00 0.00 O ATOM 1140 CB PHE A 98 2.534 2.352 -10.639 1.00 0.00 C ATOM 1141 CG PHE A 98 1.128 2.187 -10.136 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.364 3.294 -9.801 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.569 0.926 -10.001 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.928 3.146 -9.339 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.723 0.772 -9.540 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.473 1.885 -9.209 1.00 0.00 C ATOM 0 H PHE A 98 1.947 1.731 -13.106 1.00 0.00 H new ATOM 0 HA PHE A 98 2.242 4.253 -11.611 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.937 1.372 -10.894 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.154 2.753 -9.837 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.785 4.284 -9.903 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.151 0.054 -10.259 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.512 4.017 -9.079 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.147 -0.216 -9.438 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.484 1.768 -8.849 1.00 0.00 H new ATOM 1156 N CYS A 99 4.365 3.718 -13.540 1.00 0.00 N ATOM 1157 CA CYS A 99 5.727 3.920 -14.028 1.00 0.00 C ATOM 1158 C CYS A 99 6.155 5.375 -13.817 1.00 0.00 C ATOM 1159 O CYS A 99 6.360 6.124 -14.775 1.00 0.00 O ATOM 1160 CB CYS A 99 5.826 3.538 -15.509 1.00 0.00 C ATOM 1161 SG CYS A 99 7.508 3.583 -16.175 1.00 0.00 S ATOM 0 H CYS A 99 3.644 3.798 -14.257 1.00 0.00 H new ATOM 0 HA CYS A 99 6.400 3.276 -13.462 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.421 2.535 -15.642 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.199 4.214 -16.090 1.00 0.00 H new ATOM 0 HG CYS A 99 7.487 3.244 -17.430 1.00 0.00 H new ATOM 1167 N MET A 100 6.286 5.761 -12.548 1.00 0.00 N ATOM 1168 CA MET A 100 6.680 7.121 -12.187 1.00 0.00 C ATOM 1169 C MET A 100 7.260 7.157 -10.774 1.00 0.00 C ATOM 1170 O MET A 100 7.203 6.166 -10.042 1.00 0.00 O ATOM 1171 CB MET A 100 5.479 8.069 -12.286 1.00 0.00 C ATOM 1172 CG MET A 100 4.466 7.897 -11.161 1.00 0.00 C ATOM 1173 SD MET A 100 2.886 8.689 -11.516 1.00 0.00 S ATOM 1174 CE MET A 100 2.171 7.519 -12.669 1.00 0.00 C ATOM 0 H MET A 100 6.124 5.147 -11.750 1.00 0.00 H new ATOM 0 HA MET A 100 7.448 7.451 -12.887 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.839 9.098 -12.284 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.979 7.908 -13.241 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.303 6.834 -10.985 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.877 8.313 -10.241 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.088 7.638 -12.683 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.569 7.702 -13.667 1.00 0.00 H new ATOM 0 HE3 MET A 100 2.421 6.504 -12.360 1.00 0.00 H new ATOM 1184 N SER A 101 7.813 8.307 -10.394 1.00 0.00 N ATOM 1185 CA SER A 101 8.405 8.473 -9.071 1.00 0.00 C ATOM 1186 C SER A 101 7.327 8.632 -8.000 1.00 0.00 C ATOM 1187 O SER A 101 6.189 9.005 -8.293 1.00 0.00 O ATOM 1188 CB SER A 101 9.352 9.676 -9.052 1.00 0.00 C ATOM 1189 OG SER A 101 10.445 9.480 -9.935 1.00 0.00 O ATOM 0 H SER A 101 7.863 9.137 -10.985 1.00 0.00 H new ATOM 0 HA SER A 101 8.977 7.573 -8.847 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.807 10.576 -9.337 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.723 9.835 -8.039 1.00 0.00 H new ATOM 0 HG SER A 101 11.034 10.263 -9.905 1.00 0.00 H new ATOM 1195 N GLY A 102 7.704 8.342 -6.754 1.00 0.00 N ATOM 1196 CA GLY A 102 6.779 8.445 -5.637 1.00 0.00 C ATOM 1197 C GLY A 102 6.204 9.840 -5.474 1.00 0.00 C ATOM 1198 O GLY A 102 5.030 9.989 -5.135 1.00 0.00 O ATOM 0 H GLY A 102 8.643 8.035 -6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.964 7.736 -5.780 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.292 8.159 -4.719 1.00 0.00 H new ATOM 1202 N ALA A 103 7.032 10.862 -5.707 1.00 0.00 N ATOM 1203 CA ALA A 103 6.589 12.251 -5.600 1.00 0.00 C ATOM 1204 C ALA A 103 5.361 12.493 -6.474 1.00 0.00 C ATOM 1205 O ALA A 103 4.433 13.199 -6.079 1.00 0.00 O ATOM 1206 CB ALA A 103 7.714 13.199 -5.990 1.00 0.00 C ATOM 0 H ALA A 103 8.011 10.752 -5.971 1.00 0.00 H new ATOM 0 HA ALA A 103 6.316 12.445 -4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.368 14.229 -5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.565 13.046 -5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.016 13.002 -7.019 1.00 0.00 H new ATOM 1212 N ALA A 104 5.366 11.889 -7.665 1.00 0.00 N ATOM 1213 CA ALA A 104 4.252 12.015 -8.597 1.00 0.00 C ATOM 1214 C ALA A 104 3.062 11.194 -8.111 1.00 0.00 C ATOM 1215 O ALA A 104 1.931 11.679 -8.089 1.00 0.00 O ATOM 1216 CB ALA A 104 4.670 11.562 -9.988 1.00 0.00 C ATOM 0 H ALA A 104 6.133 11.308 -8.004 1.00 0.00 H new ATOM 0 HA ALA A 104 3.958 13.063 -8.647 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.827 11.662 -10.672 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.497 12.179 -10.338 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.986 10.519 -9.952 1.00 0.00 H new ATOM 1222 N LEU A 105 3.337 9.947 -7.714 1.00 0.00 N ATOM 1223 CA LEU A 105 2.308 9.033 -7.217 1.00 0.00 C ATOM 1224 C LEU A 105 1.497 9.670 -6.086 1.00 0.00 C ATOM 1225 O LEU A 105 0.266 9.616 -6.093 1.00 0.00 O ATOM 1226 CB LEU A 105 2.957 7.734 -6.730 1.00 0.00 C ATOM 1227 CG LEU A 105 2.014 6.536 -6.621 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.562 6.084 -8.001 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.692 5.394 -5.875 1.00 0.00 C ATOM 0 H LEU A 105 4.275 9.546 -7.729 1.00 0.00 H new ATOM 0 HA LEU A 105 1.625 8.813 -8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.769 7.476 -7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.404 7.914 -5.752 1.00 0.00 H new ATOM 0 HG LEU A 105 1.132 6.839 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.891 5.230 -7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.039 6.901 -8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.431 5.796 -8.592 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.008 4.548 -5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.590 5.091 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.963 5.725 -4.872 1.00 0.00 H new ATOM 1241 N CYS A 106 2.193 10.270 -5.116 1.00 0.00 N ATOM 1242 CA CYS A 106 1.533 10.928 -3.988 1.00 0.00 C ATOM 1243 C CYS A 106 0.755 12.157 -4.465 1.00 0.00 C ATOM 1244 O CYS A 106 -0.343 12.435 -3.981 1.00 0.00 O ATOM 1245 CB CYS A 106 2.564 11.333 -2.927 1.00 0.00 C ATOM 1246 SG CYS A 106 1.859 12.167 -1.485 1.00 0.00 S ATOM 0 H CYS A 106 3.212 10.313 -5.090 1.00 0.00 H new ATOM 0 HA CYS A 106 0.831 10.223 -3.542 1.00 0.00 H new ATOM 0 HB2 CYS A 106 3.094 10.441 -2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 106 3.303 11.990 -3.387 1.00 0.00 H new ATOM 0 HG CYS A 106 2.691 12.089 -0.489 1.00 0.00 H new ATOM 1252 N ALA A 107 1.338 12.882 -5.423 1.00 0.00 N ATOM 1253 CA ALA A 107 0.711 14.078 -5.991 1.00 0.00 C ATOM 1254 C ALA A 107 -0.528 13.733 -6.828 1.00 0.00 C ATOM 1255 O ALA A 107 -1.362 14.602 -7.090 1.00 0.00 O ATOM 1256 CB ALA A 107 1.719 14.838 -6.843 1.00 0.00 C ATOM 0 H ALA A 107 2.249 12.659 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 107 0.384 14.705 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.245 15.726 -7.262 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.566 15.136 -6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 107 2.068 14.197 -7.653 1.00 0.00 H new ATOM 1262 N LEU A 108 -0.647 12.467 -7.242 1.00 0.00 N ATOM 1263 CA LEU A 108 -1.782 12.022 -8.051 1.00 0.00 C ATOM 1264 C LEU A 108 -3.061 11.895 -7.220 1.00 0.00 C ATOM 1265 O LEU A 108 -4.164 12.056 -7.745 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.467 10.680 -8.721 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.474 10.743 -9.886 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.274 9.363 -10.489 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -0.950 11.727 -10.945 1.00 0.00 C ATOM 0 H LEU A 108 0.030 11.734 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.951 12.781 -8.815 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.072 10.000 -7.966 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.399 10.247 -9.084 1.00 0.00 H new ATOM 0 HG LEU A 108 0.484 11.093 -9.502 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.434 9.426 -11.315 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.115 8.686 -9.728 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.228 8.985 -10.857 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.231 11.757 -11.763 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.921 11.410 -11.326 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.040 12.720 -10.505 1.00 0.00 H new ATOM 1281 N GLY A 109 -2.908 11.612 -5.923 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.062 11.458 -5.052 1.00 0.00 C ATOM 1283 C GLY A 109 -4.696 10.082 -5.158 1.00 0.00 C ATOM 1284 O GLY A 109 -4.352 9.300 -6.045 1.00 0.00 O ATOM 0 H GLY A 109 -2.006 11.487 -5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.760 11.636 -4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.804 12.216 -5.302 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.623 9.788 -4.246 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.315 8.497 -4.233 1.00 0.00 C ATOM 1290 C LYS A 110 -7.090 8.266 -5.532 1.00 0.00 C ATOM 1291 O LYS A 110 -7.037 7.177 -6.102 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.269 8.414 -3.038 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.022 7.094 -2.951 1.00 0.00 C ATOM 1294 CD LYS A 110 -8.957 7.060 -1.754 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.140 8.000 -1.939 1.00 0.00 C ATOM 1296 NZ LYS A 110 -11.083 7.944 -0.787 1.00 0.00 N ATOM 0 H LYS A 110 -5.913 10.427 -3.505 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.558 7.718 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.701 8.560 -2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -7.989 9.230 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.595 6.941 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.309 6.272 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.320 6.043 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.408 7.338 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.777 9.020 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.671 7.739 -2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.874 8.599 -0.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.450 6.976 -0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.584 8.218 0.084 1.00 0.00 H new ATOM 1310 N GLU A 111 -7.810 9.293 -5.989 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.600 9.206 -7.220 1.00 0.00 C ATOM 1312 C GLU A 111 -7.757 8.722 -8.401 1.00 0.00 C ATOM 1313 O GLU A 111 -8.048 7.678 -8.985 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.222 10.567 -7.547 1.00 0.00 C ATOM 1315 CG GLU A 111 -10.099 10.553 -8.788 1.00 0.00 C ATOM 1316 CD GLU A 111 -10.674 11.918 -9.115 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -10.019 12.673 -9.866 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -11.778 12.231 -8.622 1.00 0.00 O ATOM 0 H GLU A 111 -7.862 10.199 -5.523 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.391 8.476 -7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.817 10.899 -6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.425 11.298 -7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.515 10.197 -9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.915 9.845 -8.643 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.714 9.480 -8.746 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.843 9.123 -9.867 1.00 0.00 C ATOM 1327 C CYS A 112 -5.190 7.757 -9.653 1.00 0.00 C ATOM 1328 O CYS A 112 -5.139 6.939 -10.572 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.768 10.190 -10.072 1.00 0.00 C ATOM 1330 SG CYS A 112 -3.752 9.937 -11.546 1.00 0.00 S ATOM 0 H CYS A 112 -6.453 10.342 -8.267 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.464 9.067 -10.761 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -5.248 11.167 -10.137 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -4.120 10.211 -9.196 1.00 0.00 H new ATOM 0 HG CYS A 112 -3.722 11.032 -12.246 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.696 7.514 -8.436 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.051 6.244 -8.105 1.00 0.00 C ATOM 1338 C PHE A 113 -5.015 5.073 -8.301 1.00 0.00 C ATOM 1339 O PHE A 113 -4.636 4.033 -8.845 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.543 6.272 -6.661 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.773 5.043 -6.271 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -1.410 4.962 -6.504 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -3.412 3.970 -5.672 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -0.698 3.834 -6.146 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -2.707 2.838 -5.313 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.347 2.770 -5.550 1.00 0.00 C ATOM 0 H PHE A 113 -4.731 8.181 -7.665 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.205 6.106 -8.778 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -2.908 7.147 -6.525 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.393 6.387 -5.988 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.898 5.790 -6.971 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.474 4.019 -5.483 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.365 3.784 -6.332 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.217 2.008 -4.848 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.793 1.887 -5.270 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.262 5.248 -7.852 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.281 4.210 -7.986 1.00 0.00 C ATOM 1358 C LEU A 114 -7.611 3.962 -9.460 1.00 0.00 C ATOM 1359 O LEU A 114 -7.986 2.854 -9.837 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.547 4.599 -7.216 1.00 0.00 C ATOM 1361 CG LEU A 114 -9.412 3.426 -6.751 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -8.640 2.542 -5.781 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -10.693 3.936 -6.107 1.00 0.00 C ATOM 0 H LEU A 114 -6.587 6.099 -7.393 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.885 3.287 -7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.257 5.184 -6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.153 5.248 -7.848 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.677 2.826 -7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -9.272 1.713 -5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -7.751 2.150 -6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -8.344 3.128 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -11.298 3.090 -5.781 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.445 4.558 -5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.254 4.526 -6.831 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.483 5.005 -10.285 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.729 4.887 -11.723 1.00 0.00 C ATOM 1377 C GLU A 115 -6.592 4.118 -12.407 1.00 0.00 C ATOM 1378 O GLU A 115 -6.770 3.563 -13.492 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.870 6.275 -12.355 1.00 0.00 C ATOM 1380 CG GLU A 115 -9.124 7.020 -11.925 1.00 0.00 C ATOM 1381 CD GLU A 115 -9.158 8.449 -12.431 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -9.681 8.672 -13.543 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -8.663 9.345 -11.715 1.00 0.00 O ATOM 0 H GLU A 115 -7.211 5.940 -9.981 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.658 4.335 -11.864 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.996 6.873 -12.095 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.874 6.171 -13.440 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -10.002 6.488 -12.292 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.185 7.023 -10.837 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.422 4.091 -11.755 1.00 0.00 N ATOM 1391 CA LEU A 116 -4.246 3.397 -12.281 1.00 0.00 C ATOM 1392 C LEU A 116 -4.275 1.904 -11.943 1.00 0.00 C ATOM 1393 O LEU A 116 -3.780 1.078 -12.713 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.974 4.026 -11.710 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.707 5.469 -12.143 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.564 6.064 -11.334 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.396 5.531 -13.632 1.00 0.00 C ATOM 0 H LEU A 116 -5.268 4.547 -10.856 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.256 3.499 -13.366 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.030 3.995 -10.622 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.122 3.413 -12.003 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.605 6.057 -11.955 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.387 7.091 -11.655 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.824 6.054 -10.275 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.661 5.474 -11.492 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.209 6.565 -13.922 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.513 4.929 -13.845 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.244 5.144 -14.197 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.856 1.564 -10.789 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.938 0.170 -10.352 1.00 0.00 C ATOM 1411 C ALA A 117 -6.378 -0.343 -10.359 1.00 0.00 C ATOM 1412 O ALA A 117 -7.323 0.437 -10.262 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.333 0.011 -8.965 1.00 0.00 C ATOM 0 H ALA A 117 -5.275 2.233 -10.143 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.368 -0.429 -11.062 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.402 -1.032 -8.655 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.286 0.314 -8.988 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.877 0.637 -8.257 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.554 -1.674 -10.498 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.875 -2.319 -10.507 1.00 0.00 C ATOM 1421 C PRO A 118 -8.809 -1.829 -9.398 1.00 0.00 C ATOM 1422 O PRO A 118 -8.391 -1.167 -8.445 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.545 -3.792 -10.283 1.00 0.00 C ATOM 1424 CG PRO A 118 -6.179 -3.973 -10.843 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.467 -2.651 -10.700 1.00 0.00 C ATOM 0 HA PRO A 118 -8.407 -2.101 -11.433 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -7.573 -4.046 -9.223 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -8.265 -4.438 -10.785 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.644 -4.759 -10.310 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -6.228 -4.274 -11.889 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.777 -2.659 -9.856 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.881 -2.416 -11.588 1.00 0.00 H new ATOM 1433 N ASP A 119 -10.083 -2.190 -9.538 1.00 0.00 N ATOM 1434 CA ASP A 119 -11.127 -1.813 -8.583 1.00 0.00 C ATOM 1435 C ASP A 119 -10.913 -2.415 -7.190 1.00 0.00 C ATOM 1436 O ASP A 119 -11.450 -1.894 -6.211 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.494 -2.256 -9.116 1.00 0.00 C ATOM 1438 CG ASP A 119 -12.873 -1.547 -10.403 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -12.532 -2.063 -11.488 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -13.510 -0.475 -10.325 1.00 0.00 O ATOM 0 H ASP A 119 -10.423 -2.753 -10.318 1.00 0.00 H new ATOM 0 HA ASP A 119 -11.082 -0.729 -8.478 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.482 -3.332 -9.288 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -13.255 -2.062 -8.360 1.00 0.00 H new ATOM 1445 N PHE A 120 -10.143 -3.508 -7.092 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.926 -4.141 -5.786 1.00 0.00 C ATOM 1447 C PHE A 120 -8.503 -3.937 -5.252 1.00 0.00 C ATOM 1448 O PHE A 120 -8.326 -3.504 -4.112 1.00 0.00 O ATOM 1449 CB PHE A 120 -10.311 -5.628 -5.806 1.00 0.00 C ATOM 1450 CG PHE A 120 -9.625 -6.445 -6.870 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -10.034 -6.372 -8.192 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -8.580 -7.295 -6.542 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -9.412 -7.130 -9.168 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -7.953 -8.052 -7.513 1.00 0.00 C ATOM 1455 CZ PHE A 120 -8.370 -7.970 -8.827 1.00 0.00 C ATOM 0 H PHE A 120 -9.673 -3.960 -7.876 1.00 0.00 H new ATOM 0 HA PHE A 120 -10.592 -3.633 -5.088 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -10.083 -6.061 -4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -11.389 -5.708 -5.945 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.848 -5.716 -8.464 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -8.252 -7.366 -5.515 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.741 -7.065 -10.195 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.138 -8.707 -7.245 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.882 -8.562 -9.587 1.00 0.00 H new ATOM 1465 N VAL A 121 -7.493 -4.250 -6.070 1.00 0.00 N ATOM 1466 CA VAL A 121 -6.091 -4.107 -5.650 1.00 0.00 C ATOM 1467 C VAL A 121 -5.737 -2.654 -5.320 1.00 0.00 C ATOM 1468 O VAL A 121 -4.949 -2.397 -4.409 1.00 0.00 O ATOM 1469 CB VAL A 121 -5.108 -4.632 -6.721 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -5.479 -6.041 -7.158 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -5.058 -3.697 -7.914 1.00 0.00 C ATOM 0 H VAL A 121 -7.616 -4.601 -7.020 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.989 -4.712 -4.749 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.114 -4.667 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.771 -6.386 -7.912 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.447 -6.709 -6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.485 -6.039 -7.578 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.359 -4.088 -8.654 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -6.051 -3.620 -8.358 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.728 -2.710 -7.589 1.00 0.00 H new ATOM 1481 N GLY A 122 -6.317 -1.710 -6.070 1.00 0.00 N ATOM 1482 CA GLY A 122 -6.050 -0.296 -5.845 1.00 0.00 C ATOM 1483 C GLY A 122 -6.282 0.137 -4.405 1.00 0.00 C ATOM 1484 O GLY A 122 -5.563 0.996 -3.892 1.00 0.00 O ATOM 0 H GLY A 122 -6.968 -1.903 -6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -5.018 -0.080 -6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.686 0.296 -6.503 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.285 -0.457 -3.754 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.607 -0.127 -2.365 1.00 0.00 C ATOM 1490 C ASP A 123 -6.450 -0.481 -1.430 1.00 0.00 C ATOM 1491 O ASP A 123 -6.027 0.343 -0.622 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.874 -0.864 -1.918 1.00 0.00 C ATOM 1493 CG ASP A 123 -10.082 -0.515 -2.766 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -10.714 0.530 -2.502 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -10.397 -1.289 -3.693 1.00 0.00 O ATOM 0 H ASP A 123 -7.888 -1.169 -4.167 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.779 0.948 -2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.700 -1.939 -1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -9.083 -0.620 -0.876 1.00 0.00 H new ATOM 1500 N ILE A 124 -5.945 -1.711 -1.552 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.839 -2.185 -0.715 1.00 0.00 C ATOM 1502 C ILE A 124 -3.590 -1.328 -0.898 1.00 0.00 C ATOM 1503 O ILE A 124 -3.018 -0.834 0.075 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.474 -3.649 -1.038 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.677 -4.563 -0.815 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -3.289 -4.104 -0.193 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -5.417 -6.000 -1.199 1.00 0.00 C ATOM 0 H ILE A 124 -6.285 -2.399 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.183 -2.112 0.317 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.189 -3.709 -2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -5.966 -4.522 0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.522 -4.187 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.046 -5.139 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.427 -3.470 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.545 -4.029 0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.313 -6.593 -1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -5.157 -6.053 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.593 -6.392 -0.603 1.00 0.00 H new ATOM 1519 N LEU A 125 -3.170 -1.169 -2.152 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.981 -0.385 -2.474 1.00 0.00 C ATOM 1521 C LEU A 125 -2.051 1.010 -1.852 1.00 0.00 C ATOM 1522 O LEU A 125 -1.180 1.375 -1.066 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.790 -0.286 -3.991 1.00 0.00 C ATOM 1524 CG LEU A 125 -1.638 -1.623 -4.720 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.540 -1.403 -6.222 1.00 0.00 C ATOM 1526 CD2 LEU A 125 -0.420 -2.380 -4.209 1.00 0.00 C ATOM 0 H LEU A 125 -3.638 -1.574 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 125 -1.120 -0.900 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.643 0.245 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.906 0.320 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.523 -2.226 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.432 -2.364 -6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.444 -0.907 -6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.674 -0.779 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.331 -3.327 -4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.476 -1.783 -4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.532 -2.572 -3.142 1.00 0.00 H new ATOM 1538 N TRP A 126 -3.090 1.779 -2.183 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.237 3.128 -1.631 1.00 0.00 C ATOM 1540 C TRP A 126 -3.448 3.092 -0.111 1.00 0.00 C ATOM 1541 O TRP A 126 -3.126 4.061 0.577 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.373 3.892 -2.330 1.00 0.00 C ATOM 1543 CG TRP A 126 -5.004 4.951 -1.472 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -4.717 6.283 -1.468 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -6.017 4.756 -0.479 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -5.489 6.931 -0.535 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -6.297 6.014 0.086 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -6.717 3.638 -0.013 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -7.244 6.184 1.093 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -7.656 3.808 0.986 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -7.912 5.073 1.529 1.00 0.00 C ATOM 0 H TRP A 126 -3.833 1.496 -2.822 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.307 3.664 -1.821 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -3.984 4.355 -3.237 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -5.140 3.182 -2.639 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -3.988 6.760 -2.106 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -5.465 7.931 -0.337 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.527 2.659 -0.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -7.444 7.158 1.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.201 2.952 1.354 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -8.653 5.174 2.309 1.00 0.00 H new ATOM 1562 N GLU A 127 -3.978 1.986 0.415 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.185 1.861 1.857 1.00 0.00 C ATOM 1564 C GLU A 127 -2.844 1.949 2.589 1.00 0.00 C ATOM 1565 O GLU A 127 -2.655 2.808 3.453 1.00 0.00 O ATOM 1566 CB GLU A 127 -4.886 0.540 2.190 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.291 0.415 3.650 1.00 0.00 C ATOM 1568 CD GLU A 127 -5.924 -0.927 3.965 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -5.178 -1.870 4.302 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -7.165 -1.035 3.873 1.00 0.00 O ATOM 0 H GLU A 127 -4.268 1.174 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 127 -4.823 2.680 2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.774 0.443 1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.224 -0.287 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.413 0.556 4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -5.993 1.211 3.898 1.00 0.00 H new ATOM 1577 N HIS A 128 -1.913 1.064 2.225 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.581 1.048 2.829 1.00 0.00 C ATOM 1579 C HIS A 128 0.250 2.231 2.327 1.00 0.00 C ATOM 1580 O HIS A 128 1.032 2.816 3.078 1.00 0.00 O ATOM 1581 CB HIS A 128 0.133 -0.268 2.507 1.00 0.00 C ATOM 1582 CG HIS A 128 1.486 -0.401 3.139 1.00 0.00 C ATOM 1583 ND1 HIS A 128 2.465 -1.239 2.646 1.00 0.00 N ATOM 1584 CD2 HIS A 128 2.023 0.201 4.228 1.00 0.00 C ATOM 1585 CE1 HIS A 128 3.541 -1.149 3.405 1.00 0.00 C ATOM 1586 NE2 HIS A 128 3.300 -0.282 4.370 1.00 0.00 N ATOM 0 H HIS A 128 -2.059 0.348 1.513 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.693 1.134 3.910 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.493 -1.098 2.835 1.00 0.00 H new ATOM 0 HB3 HIS A 128 0.239 -0.357 1.426 1.00 0.00 H new ATOM 0 HD2 HIS A 128 1.537 0.925 4.865 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.463 -1.693 3.261 1.00 0.00 H new ATOM 0 HE2 HIS A 128 3.957 -0.014 5.103 1.00 0.00 H new ATOM 1595 N LEU A 129 0.069 2.574 1.050 1.00 0.00 N ATOM 1596 CA LEU A 129 0.783 3.689 0.433 1.00 0.00 C ATOM 1597 C LEU A 129 0.528 4.985 1.197 1.00 0.00 C ATOM 1598 O LEU A 129 1.456 5.748 1.467 1.00 0.00 O ATOM 1599 CB LEU A 129 0.348 3.853 -1.027 1.00 0.00 C ATOM 1600 CG LEU A 129 1.142 4.879 -1.839 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.597 4.454 -1.966 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.513 5.063 -3.213 1.00 0.00 C ATOM 0 H LEU A 129 -0.571 2.090 0.421 1.00 0.00 H new ATOM 0 HA LEU A 129 1.850 3.470 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.425 2.885 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.704 4.137 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 129 1.114 5.834 -1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.144 5.197 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 129 3.040 4.371 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.651 3.489 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 129 1.087 5.795 -3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.513 4.111 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.512 5.415 -3.100 1.00 0.00 H new ATOM 1614 N GLU A 130 -0.739 5.228 1.542 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.117 6.432 2.276 1.00 0.00 C ATOM 1616 C GLU A 130 -0.559 6.391 3.698 1.00 0.00 C ATOM 1617 O GLU A 130 -0.157 7.419 4.242 1.00 0.00 O ATOM 1618 CB GLU A 130 -2.641 6.584 2.300 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.118 7.892 2.910 1.00 0.00 C ATOM 1620 CD GLU A 130 -4.628 8.036 2.865 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -5.303 7.496 3.766 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -5.133 8.689 1.928 1.00 0.00 O ATOM 0 H GLU A 130 -1.517 4.606 1.324 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.691 7.296 1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.020 6.510 1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -3.071 5.754 2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -2.781 7.951 3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.660 8.726 2.378 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.539 5.190 4.289 1.00 0.00 N ATOM 1630 CA ILE A 131 -0.015 4.998 5.642 1.00 0.00 C ATOM 1631 C ILE A 131 1.443 5.454 5.727 1.00 0.00 C ATOM 1632 O ILE A 131 1.846 6.083 6.708 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.125 3.517 6.076 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -1.584 3.160 6.371 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.751 3.234 7.289 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -1.823 1.674 6.539 1.00 0.00 C ATOM 0 H ILE A 131 -0.881 4.336 3.848 1.00 0.00 H new ATOM 0 HA ILE A 131 -0.617 5.605 6.318 1.00 0.00 H new ATOM 0 HB ILE A 131 0.230 2.894 5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -1.899 3.675 7.279 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.211 3.531 5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.654 2.186 7.572 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.791 3.449 7.045 1.00 0.00 H new ATOM 0 HG23 ILE A 131 0.436 3.865 8.120 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -2.878 1.496 6.746 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -1.540 1.154 5.624 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.223 1.300 7.369 1.00 0.00 H new ATOM 1648 N LEU A 132 2.226 5.127 4.697 1.00 0.00 N ATOM 1649 CA LEU A 132 3.634 5.518 4.637 1.00 0.00 C ATOM 1650 C LEU A 132 3.778 7.039 4.743 1.00 0.00 C ATOM 1651 O LEU A 132 4.715 7.539 5.367 1.00 0.00 O ATOM 1652 CB LEU A 132 4.269 5.021 3.336 1.00 0.00 C ATOM 1653 CG LEU A 132 4.457 3.503 3.240 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.881 3.108 1.833 1.00 0.00 C ATOM 1655 CD2 LEU A 132 5.482 3.027 4.259 1.00 0.00 C ATOM 0 H LEU A 132 1.906 4.590 3.891 1.00 0.00 H new ATOM 0 HA LEU A 132 4.151 5.061 5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.650 5.348 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 132 5.241 5.500 3.219 1.00 0.00 H new ATOM 0 HG LEU A 132 3.504 3.023 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 132 5.010 2.027 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 132 4.114 3.416 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.823 3.598 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.603 1.947 4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.438 3.515 4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.141 3.278 5.263 1.00 0.00 H new ATOM 1667 N GLN A 133 2.840 7.765 4.126 1.00 0.00 N ATOM 1668 CA GLN A 133 2.843 9.228 4.158 1.00 0.00 C ATOM 1669 C GLN A 133 2.539 9.725 5.572 1.00 0.00 C ATOM 1670 O GLN A 133 3.223 10.605 6.097 1.00 0.00 O ATOM 1671 CB GLN A 133 1.805 9.795 3.180 1.00 0.00 C ATOM 1672 CG GLN A 133 1.834 9.151 1.804 1.00 0.00 C ATOM 1673 CD GLN A 133 0.717 9.637 0.898 1.00 0.00 C ATOM 1674 OE1 GLN A 133 0.267 10.779 1.003 1.00 0.00 O ATOM 1675 NE2 GLN A 133 0.262 8.769 0.001 1.00 0.00 N ATOM 0 H GLN A 133 2.067 7.360 3.597 1.00 0.00 H new ATOM 0 HA GLN A 133 3.833 9.573 3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 133 0.811 9.668 3.608 1.00 0.00 H new ATOM 0 HB3 GLN A 133 1.971 10.867 3.072 1.00 0.00 H new ATOM 0 HG2 GLN A 133 2.794 9.359 1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 133 1.761 8.069 1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.663 7.833 -0.052 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -0.489 9.039 -0.635 1.00 0.00 H new