USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=18 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 180:sc= -0.0408 USER MOD Set 1.2: A 133 GLN : amide:sc= -1.12 X(o=-1.2,f=-0.75) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0.0548 USER MOD Set 2.2: A 101 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 60 GLN : amide:sc= -1.02 K(o=-1.3,f=-3.4!) USER MOD Set 3.2: A 67 LYS NZ :NH3+ -174:sc=-0.000539 (180deg=-0.0334) USER MOD Set 3.3: A 128 HIS :FLIP no HD1:sc= -0.316 F(o=-2,f=-1.3) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 172:sc=-0.00763 (180deg=-0.0915) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.701 F(o=-1.7,f=-0.7) USER MOD Single : A 71 GLN :FLIP amide:sc=-0.00651 F(o=-0.69,f=-0.0065) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-2) USER MOD Single : A 82 MET CE :methyl 173:sc= -2.28! (180deg=-2.34!) USER MOD Single : A 86 ASN :FLIP amide:sc= 0.622 F(o=0,f=0.62) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= -0.0226 (180deg=-0.169) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot 180:sc= -0.0501 USER MOD Single : A 100 MET CE :methyl -124:sc= -0.0985 (180deg=-0.402) USER MOD Single : A 110 LYS NZ :NH3+ -112:sc= 0.129 (180deg=-0.286) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 413 N GLY A 55 6.746 -7.115 7.196 1.00 0.00 N ATOM 414 CA GLY A 55 7.047 -7.728 5.911 1.00 0.00 C ATOM 415 C GLY A 55 7.522 -6.720 4.873 1.00 0.00 C ATOM 416 O GLY A 55 8.109 -7.102 3.859 1.00 0.00 O ATOM 0 HA2 GLY A 55 7.814 -8.490 6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.157 -8.235 5.538 1.00 0.00 H new ATOM 420 N PHE A 56 7.276 -5.432 5.131 1.00 0.00 N ATOM 421 CA PHE A 56 7.681 -4.374 4.210 1.00 0.00 C ATOM 422 C PHE A 56 9.094 -3.894 4.525 1.00 0.00 C ATOM 423 O PHE A 56 9.924 -3.770 3.625 1.00 0.00 O ATOM 424 CB PHE A 56 6.700 -3.197 4.260 1.00 0.00 C ATOM 425 CG PHE A 56 6.977 -2.149 3.215 1.00 0.00 C ATOM 426 CD1 PHE A 56 7.232 -2.511 1.900 1.00 0.00 C ATOM 427 CD2 PHE A 56 6.988 -0.804 3.548 1.00 0.00 C ATOM 428 CE1 PHE A 56 7.492 -1.553 0.941 1.00 0.00 C ATOM 429 CE2 PHE A 56 7.247 0.159 2.590 1.00 0.00 C ATOM 430 CZ PHE A 56 7.500 -0.216 1.286 1.00 0.00 C ATOM 0 H PHE A 56 6.799 -5.101 5.969 1.00 0.00 H new ATOM 0 HA PHE A 56 7.670 -4.789 3.202 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.685 -3.572 4.129 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.744 -2.737 5.247 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.227 -3.555 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.792 -0.504 4.567 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.689 -1.849 -0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.251 1.204 2.862 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.704 0.535 0.537 1.00 0.00 H new ATOM 440 N THR A 57 9.359 -3.626 5.806 1.00 0.00 N ATOM 441 CA THR A 57 10.677 -3.168 6.248 1.00 0.00 C ATOM 442 C THR A 57 11.782 -4.133 5.812 1.00 0.00 C ATOM 443 O THR A 57 12.909 -3.709 5.552 1.00 0.00 O ATOM 444 CB THR A 57 10.730 -2.991 7.780 1.00 0.00 C ATOM 445 OG1 THR A 57 9.670 -2.128 8.212 1.00 0.00 O ATOM 446 CG2 THR A 57 12.068 -2.411 8.218 1.00 0.00 C ATOM 0 H THR A 57 8.675 -3.719 6.557 1.00 0.00 H new ATOM 0 HA THR A 57 10.845 -2.201 5.774 1.00 0.00 H new ATOM 0 HB THR A 57 10.611 -3.973 8.237 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.710 -2.023 9.185 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.078 -2.297 9.302 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.872 -3.083 7.917 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.214 -1.438 7.749 1.00 0.00 H new ATOM 454 N LYS A 58 11.461 -5.427 5.731 1.00 0.00 N ATOM 455 CA LYS A 58 12.435 -6.432 5.299 1.00 0.00 C ATOM 456 C LYS A 58 12.886 -6.153 3.867 1.00 0.00 C ATOM 457 O LYS A 58 14.018 -6.463 3.489 1.00 0.00 O ATOM 458 CB LYS A 58 11.843 -7.839 5.400 1.00 0.00 C ATOM 459 CG LYS A 58 11.523 -8.267 6.823 1.00 0.00 C ATOM 460 CD LYS A 58 12.775 -8.358 7.681 1.00 0.00 C ATOM 461 CE LYS A 58 12.442 -8.685 9.130 1.00 0.00 C ATOM 462 NZ LYS A 58 11.762 -10.004 9.268 1.00 0.00 N ATOM 0 H LYS A 58 10.540 -5.802 5.957 1.00 0.00 H new ATOM 0 HA LYS A 58 13.301 -6.374 5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.932 -7.884 4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.545 -8.551 4.965 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.828 -7.556 7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.022 -9.235 6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.437 -9.124 7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.316 -7.413 7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.359 -8.687 9.720 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.802 -7.904 9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.676 -10.247 10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.814 -9.952 8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.320 -10.735 8.782 1.00 0.00 H new ATOM 476 N GLU A 59 11.988 -5.565 3.074 1.00 0.00 N ATOM 477 CA GLU A 59 12.285 -5.214 1.693 1.00 0.00 C ATOM 478 C GLU A 59 12.985 -3.857 1.644 1.00 0.00 C ATOM 479 O GLU A 59 13.944 -3.668 0.891 1.00 0.00 O ATOM 480 CB GLU A 59 10.993 -5.167 0.870 1.00 0.00 C ATOM 481 CG GLU A 59 11.199 -4.760 -0.582 1.00 0.00 C ATOM 482 CD GLU A 59 11.939 -5.809 -1.392 1.00 0.00 C ATOM 483 OE1 GLU A 59 13.172 -5.932 -1.224 1.00 0.00 O ATOM 484 OE2 GLU A 59 11.286 -6.505 -2.197 1.00 0.00 O ATOM 0 H GLU A 59 11.043 -5.322 3.372 1.00 0.00 H new ATOM 0 HA GLU A 59 12.943 -5.972 1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.521 -6.149 0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.301 -4.467 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.229 -4.571 -1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.755 -3.823 -0.616 1.00 0.00 H new ATOM 491 N GLN A 60 12.487 -2.917 2.454 1.00 0.00 N ATOM 492 CA GLN A 60 13.051 -1.569 2.530 1.00 0.00 C ATOM 493 C GLN A 60 14.525 -1.604 2.928 1.00 0.00 C ATOM 494 O GLN A 60 15.299 -0.740 2.523 1.00 0.00 O ATOM 495 CB GLN A 60 12.272 -0.720 3.539 1.00 0.00 C ATOM 496 CG GLN A 60 10.771 -0.712 3.307 1.00 0.00 C ATOM 497 CD GLN A 60 10.071 0.396 4.070 1.00 0.00 C ATOM 498 OE1 GLN A 60 9.634 0.203 5.205 1.00 0.00 O ATOM 499 NE2 GLN A 60 9.961 1.568 3.451 1.00 0.00 N ATOM 0 H GLN A 60 11.688 -3.069 3.070 1.00 0.00 H new ATOM 0 HA GLN A 60 12.970 -1.123 1.539 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.473 -1.092 4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.642 0.305 3.499 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.572 -0.597 2.242 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.355 -1.674 3.607 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.337 1.685 2.510 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.500 2.350 3.917 1.00 0.00 H new ATOM 508 N GLN A 61 14.904 -2.594 3.735 1.00 0.00 N ATOM 509 CA GLN A 61 16.292 -2.732 4.178 1.00 0.00 C ATOM 510 C GLN A 61 17.146 -3.451 3.132 1.00 0.00 C ATOM 511 O GLN A 61 18.322 -3.126 2.958 1.00 0.00 O ATOM 512 CB GLN A 61 16.361 -3.470 5.519 1.00 0.00 C ATOM 513 CG GLN A 61 15.871 -4.909 5.464 1.00 0.00 C ATOM 514 CD GLN A 61 15.893 -5.583 6.823 1.00 0.00 C ATOM 515 OE1 GLN A 61 14.798 -5.459 7.567 1.00 0.00 O flip ATOM 516 NE2 GLN A 61 16.883 -6.206 7.204 1.00 0.00 N flip ATOM 0 H GLN A 61 14.273 -3.310 4.095 1.00 0.00 H new ATOM 0 HA GLN A 61 16.696 -1.728 4.308 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.392 -3.462 5.873 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.768 -2.924 6.253 1.00 0.00 H new ATOM 0 HG2 GLN A 61 14.855 -4.929 5.069 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.494 -5.475 4.771 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.703 -6.277 6.602 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.883 -6.651 8.122 1.00 0.00 H new ATOM 525 N ARG A 62 16.555 -4.425 2.440 1.00 0.00 N ATOM 526 CA ARG A 62 17.267 -5.180 1.410 1.00 0.00 C ATOM 527 C ARG A 62 17.644 -4.293 0.220 1.00 0.00 C ATOM 528 O ARG A 62 18.703 -4.474 -0.386 1.00 0.00 O ATOM 529 CB ARG A 62 16.408 -6.352 0.925 1.00 0.00 C ATOM 530 CG ARG A 62 17.154 -7.676 0.873 1.00 0.00 C ATOM 531 CD ARG A 62 17.606 -8.120 2.257 1.00 0.00 C ATOM 532 NE ARG A 62 16.481 -8.285 3.181 1.00 0.00 N ATOM 533 CZ ARG A 62 16.601 -8.298 4.512 1.00 0.00 C ATOM 534 NH1 ARG A 62 17.794 -8.166 5.086 1.00 0.00 N ATOM 535 NH2 ARG A 62 15.521 -8.447 5.271 1.00 0.00 N ATOM 0 H ARG A 62 15.585 -4.709 2.574 1.00 0.00 H new ATOM 0 HA ARG A 62 18.186 -5.559 1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.546 -6.456 1.584 1.00 0.00 H new ATOM 0 HB3 ARG A 62 16.024 -6.122 -0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 62 16.510 -8.440 0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 62 18.021 -7.580 0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 62 18.148 -9.062 2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 62 18.302 -7.386 2.663 1.00 0.00 H new ATOM 0 HE ARG A 62 15.548 -8.397 2.784 1.00 0.00 H new ATOM 0 HH11 ARG A 62 18.628 -8.054 4.509 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.875 -8.177 6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.604 -8.551 4.838 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.609 -8.457 6.287 1.00 0.00 H new ATOM 549 N LEU A 63 16.776 -3.335 -0.107 1.00 0.00 N ATOM 550 CA LEU A 63 16.999 -2.425 -1.232 1.00 0.00 C ATOM 551 C LEU A 63 17.453 -1.038 -0.775 1.00 0.00 C ATOM 552 O LEU A 63 18.221 -0.375 -1.474 1.00 0.00 O ATOM 553 CB LEU A 63 15.709 -2.285 -2.041 1.00 0.00 C ATOM 554 CG LEU A 63 15.092 -3.600 -2.516 1.00 0.00 C ATOM 555 CD1 LEU A 63 13.692 -3.364 -3.051 1.00 0.00 C ATOM 556 CD2 LEU A 63 15.964 -4.249 -3.579 1.00 0.00 C ATOM 0 H LEU A 63 15.905 -3.168 0.396 1.00 0.00 H new ATOM 0 HA LEU A 63 17.793 -2.853 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.974 -1.756 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 63 15.911 -1.662 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 63 15.029 -4.277 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.266 -4.310 -3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.067 -2.943 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.735 -2.669 -3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.507 -5.184 -3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 63 16.060 -3.577 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.952 -4.453 -3.165 1.00 0.00 H new ATOM 568 N GLY A 64 16.980 -0.604 0.394 1.00 0.00 N ATOM 569 CA GLY A 64 17.331 0.714 0.903 1.00 0.00 C ATOM 570 C GLY A 64 16.183 1.712 0.789 1.00 0.00 C ATOM 571 O GLY A 64 16.354 2.893 1.099 1.00 0.00 O ATOM 0 H GLY A 64 16.359 -1.143 0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.630 0.628 1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 64 18.193 1.093 0.355 1.00 0.00 H new ATOM 575 N ILE A 65 15.013 1.236 0.339 1.00 0.00 N ATOM 576 CA ILE A 65 13.830 2.083 0.186 1.00 0.00 C ATOM 577 C ILE A 65 13.480 2.777 1.505 1.00 0.00 C ATOM 578 O ILE A 65 13.354 2.122 2.541 1.00 0.00 O ATOM 579 CB ILE A 65 12.612 1.264 -0.303 1.00 0.00 C ATOM 580 CG1 ILE A 65 12.935 0.564 -1.628 1.00 0.00 C ATOM 581 CG2 ILE A 65 11.390 2.159 -0.460 1.00 0.00 C ATOM 582 CD1 ILE A 65 11.877 -0.425 -2.070 1.00 0.00 C ATOM 0 H ILE A 65 14.864 0.262 0.074 1.00 0.00 H new ATOM 0 HA ILE A 65 14.069 2.838 -0.563 1.00 0.00 H new ATOM 0 HB ILE A 65 12.387 0.505 0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.062 1.318 -2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.888 0.043 -1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.545 1.563 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 65 11.146 2.614 0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.603 2.942 -1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 65 12.176 -0.880 -3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.766 -1.201 -1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.927 0.093 -2.201 1.00 0.00 H new ATOM 594 N PRO A 66 13.320 4.117 1.485 1.00 0.00 N ATOM 595 CA PRO A 66 12.993 4.893 2.686 1.00 0.00 C ATOM 596 C PRO A 66 11.519 4.786 3.076 1.00 0.00 C ATOM 597 O PRO A 66 10.718 4.191 2.355 1.00 0.00 O ATOM 598 CB PRO A 66 13.336 6.324 2.272 1.00 0.00 C ATOM 599 CG PRO A 66 13.107 6.354 0.800 1.00 0.00 C ATOM 600 CD PRO A 66 13.447 4.978 0.290 1.00 0.00 C ATOM 0 HA PRO A 66 13.536 4.539 3.562 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.704 7.048 2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.369 6.571 2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.072 6.608 0.573 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.732 7.110 0.325 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.766 4.666 -0.502 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.455 4.942 -0.123 1.00 0.00 H new ATOM 608 N LYS A 67 11.170 5.372 4.222 1.00 0.00 N ATOM 609 CA LYS A 67 9.792 5.352 4.708 1.00 0.00 C ATOM 610 C LYS A 67 9.101 6.688 4.409 1.00 0.00 C ATOM 611 O LYS A 67 8.429 7.262 5.269 1.00 0.00 O ATOM 612 CB LYS A 67 9.770 5.064 6.214 1.00 0.00 C ATOM 613 CG LYS A 67 8.420 4.587 6.732 1.00 0.00 C ATOM 614 CD LYS A 67 8.089 3.191 6.229 1.00 0.00 C ATOM 615 CE LYS A 67 6.828 2.648 6.885 1.00 0.00 C ATOM 616 NZ LYS A 67 6.495 1.278 6.405 1.00 0.00 N ATOM 0 H LYS A 67 11.823 5.866 4.830 1.00 0.00 H new ATOM 0 HA LYS A 67 9.249 4.560 4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.522 4.309 6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.055 5.969 6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.426 4.590 7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.642 5.282 6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.957 3.214 5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.924 2.521 6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.961 2.631 7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.994 3.318 6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.577 0.986 6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.443 1.277 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.232 0.613 6.715 1.00 0.00 H new ATOM 630 N ASP A 68 9.272 7.175 3.176 1.00 0.00 N ATOM 631 CA ASP A 68 8.678 8.444 2.757 1.00 0.00 C ATOM 632 C ASP A 68 8.243 8.393 1.293 1.00 0.00 C ATOM 633 O ASP A 68 9.080 8.301 0.393 1.00 0.00 O ATOM 634 CB ASP A 68 9.675 9.586 2.960 1.00 0.00 C ATOM 635 CG ASP A 68 9.878 9.927 4.424 1.00 0.00 C ATOM 636 OD1 ASP A 68 10.746 9.301 5.067 1.00 0.00 O ATOM 637 OD2 ASP A 68 9.170 10.824 4.924 1.00 0.00 O ATOM 0 H ASP A 68 9.818 6.708 2.452 1.00 0.00 H new ATOM 0 HA ASP A 68 7.795 8.620 3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.633 9.311 2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.322 10.471 2.430 1.00 0.00 H new ATOM 642 N PRO A 69 6.919 8.457 1.039 1.00 0.00 N ATOM 643 CA PRO A 69 6.368 8.425 -0.323 1.00 0.00 C ATOM 644 C PRO A 69 6.834 9.605 -1.180 1.00 0.00 C ATOM 645 O PRO A 69 6.946 9.477 -2.398 1.00 0.00 O ATOM 646 CB PRO A 69 4.850 8.478 -0.109 1.00 0.00 C ATOM 647 CG PRO A 69 4.663 9.007 1.271 1.00 0.00 C ATOM 648 CD PRO A 69 5.860 8.561 2.059 1.00 0.00 C ATOM 0 HA PRO A 69 6.700 7.540 -0.865 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.372 9.124 -0.845 1.00 0.00 H new ATOM 0 HB3 PRO A 69 4.404 7.489 -0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.586 10.094 1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.743 8.625 1.712 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.120 9.279 2.837 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.683 7.606 2.554 1.00 0.00 H new ATOM 656 N ARG A 70 7.107 10.748 -0.545 1.00 0.00 N ATOM 657 CA ARG A 70 7.573 11.932 -1.272 1.00 0.00 C ATOM 658 C ARG A 70 9.032 11.761 -1.694 1.00 0.00 C ATOM 659 O ARG A 70 9.440 12.248 -2.750 1.00 0.00 O ATOM 660 CB ARG A 70 7.427 13.199 -0.420 1.00 0.00 C ATOM 661 CG ARG A 70 5.991 13.550 -0.057 1.00 0.00 C ATOM 662 CD ARG A 70 5.482 12.707 1.101 1.00 0.00 C ATOM 663 NE ARG A 70 4.248 13.240 1.674 1.00 0.00 N ATOM 664 CZ ARG A 70 3.797 12.927 2.890 1.00 0.00 C ATOM 665 NH1 ARG A 70 4.474 12.083 3.663 1.00 0.00 N ATOM 666 NH2 ARG A 70 2.663 13.458 3.334 1.00 0.00 N ATOM 0 H ARG A 70 7.015 10.879 0.462 1.00 0.00 H new ATOM 0 HA ARG A 70 6.952 12.040 -2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.001 13.073 0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.868 14.038 -0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.930 14.606 0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.349 13.401 -0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.309 11.687 0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.248 12.657 1.875 1.00 0.00 H new ATOM 0 HE ARG A 70 3.699 13.890 1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.344 11.670 3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.123 11.848 4.592 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.138 14.105 2.745 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.318 13.219 4.264 1.00 0.00 H new ATOM 680 N GLN A 71 9.811 11.063 -0.863 1.00 0.00 N ATOM 681 CA GLN A 71 11.222 10.817 -1.152 1.00 0.00 C ATOM 682 C GLN A 71 11.418 9.451 -1.821 1.00 0.00 C ATOM 683 O GLN A 71 12.422 8.774 -1.592 1.00 0.00 O ATOM 684 CB GLN A 71 12.044 10.894 0.140 1.00 0.00 C ATOM 685 CG GLN A 71 12.030 12.268 0.791 1.00 0.00 C ATOM 686 CD GLN A 71 12.607 12.249 2.193 1.00 0.00 C ATOM 687 OE1 GLN A 71 11.750 12.033 3.184 1.00 0.00 O flip ATOM 688 NE2 GLN A 71 13.811 12.428 2.385 1.00 0.00 N flip ATOM 0 H GLN A 71 9.486 10.659 0.015 1.00 0.00 H new ATOM 0 HA GLN A 71 11.567 11.586 -1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.659 10.161 0.849 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.075 10.615 -0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.600 12.964 0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.006 12.639 0.827 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.435 12.591 1.595 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.184 12.413 3.334 1.00 0.00 H new ATOM 697 N TRP A 72 10.451 9.058 -2.653 1.00 0.00 N ATOM 698 CA TRP A 72 10.510 7.784 -3.365 1.00 0.00 C ATOM 699 C TRP A 72 10.742 8.011 -4.855 1.00 0.00 C ATOM 700 O TRP A 72 10.498 9.106 -5.366 1.00 0.00 O ATOM 701 CB TRP A 72 9.204 7.013 -3.170 1.00 0.00 C ATOM 702 CG TRP A 72 9.246 5.997 -2.072 1.00 0.00 C ATOM 703 CD1 TRP A 72 10.098 5.963 -1.007 1.00 0.00 C ATOM 704 CD2 TRP A 72 8.387 4.861 -1.937 1.00 0.00 C ATOM 705 NE1 TRP A 72 9.819 4.876 -0.217 1.00 0.00 N ATOM 706 CE2 TRP A 72 8.772 4.184 -0.767 1.00 0.00 C ATOM 707 CE3 TRP A 72 7.327 4.354 -2.693 1.00 0.00 C ATOM 708 CZ2 TRP A 72 8.134 3.024 -0.335 1.00 0.00 C ATOM 709 CZ3 TRP A 72 6.695 3.204 -2.265 1.00 0.00 C ATOM 710 CH2 TRP A 72 7.099 2.551 -1.095 1.00 0.00 C ATOM 0 H TRP A 72 9.615 9.608 -2.849 1.00 0.00 H new ATOM 0 HA TRP A 72 11.340 7.206 -2.960 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.404 7.723 -2.961 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.949 6.511 -4.104 1.00 0.00 H new ATOM 0 HD1 TRP A 72 10.877 6.685 -0.814 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.311 4.624 0.640 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.008 4.853 -3.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.445 2.517 0.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.876 2.802 -2.842 1.00 0.00 H new ATOM 0 HH2 TRP A 72 6.583 1.654 -0.785 1.00 0.00 H new ATOM 721 N THR A 73 11.212 6.976 -5.554 1.00 0.00 N ATOM 722 CA THR A 73 11.435 7.079 -6.992 1.00 0.00 C ATOM 723 C THR A 73 10.720 5.939 -7.725 1.00 0.00 C ATOM 724 O THR A 73 10.060 5.114 -7.094 1.00 0.00 O ATOM 725 CB THR A 73 12.942 7.080 -7.337 1.00 0.00 C ATOM 726 OG1 THR A 73 13.134 7.358 -8.730 1.00 0.00 O ATOM 727 CG2 THR A 73 13.583 5.742 -6.989 1.00 0.00 C ATOM 0 H THR A 73 11.442 6.068 -5.151 1.00 0.00 H new ATOM 0 HA THR A 73 11.020 8.030 -7.324 1.00 0.00 H new ATOM 0 HB THR A 73 13.421 7.860 -6.744 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.092 7.357 -8.935 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.643 5.770 -7.242 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.469 5.551 -5.922 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.096 4.947 -7.554 1.00 0.00 H new ATOM 735 N GLU A 74 10.850 5.900 -9.052 1.00 0.00 N ATOM 736 CA GLU A 74 10.202 4.869 -9.863 1.00 0.00 C ATOM 737 C GLU A 74 10.461 3.466 -9.311 1.00 0.00 C ATOM 738 O GLU A 74 9.527 2.683 -9.133 1.00 0.00 O ATOM 739 CB GLU A 74 10.684 4.956 -11.313 1.00 0.00 C ATOM 740 CG GLU A 74 9.648 4.513 -12.331 1.00 0.00 C ATOM 741 CD GLU A 74 9.146 3.100 -12.093 1.00 0.00 C ATOM 742 OE1 GLU A 74 9.850 2.145 -12.484 1.00 0.00 O ATOM 743 OE2 GLU A 74 8.049 2.949 -11.516 1.00 0.00 O ATOM 0 H GLU A 74 11.399 6.572 -9.588 1.00 0.00 H new ATOM 0 HA GLU A 74 9.128 5.049 -9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.975 5.984 -11.528 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.577 4.342 -11.427 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.803 5.202 -12.304 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.079 4.576 -13.330 1.00 0.00 H new ATOM 750 N THR A 75 11.727 3.153 -9.036 1.00 0.00 N ATOM 751 CA THR A 75 12.095 1.837 -8.513 1.00 0.00 C ATOM 752 C THR A 75 11.368 1.537 -7.200 1.00 0.00 C ATOM 753 O THR A 75 10.837 0.443 -7.018 1.00 0.00 O ATOM 754 CB THR A 75 13.615 1.717 -8.288 1.00 0.00 C ATOM 755 OG1 THR A 75 14.319 2.138 -9.464 1.00 0.00 O ATOM 756 CG2 THR A 75 14.001 0.284 -7.950 1.00 0.00 C ATOM 0 H THR A 75 12.513 3.790 -9.166 1.00 0.00 H new ATOM 0 HA THR A 75 11.793 1.109 -9.266 1.00 0.00 H new ATOM 0 HB THR A 75 13.887 2.359 -7.450 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.284 2.061 -9.313 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.078 0.224 -7.796 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.486 -0.027 -7.041 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.715 -0.373 -8.771 1.00 0.00 H new ATOM 764 N HIS A 76 11.354 2.515 -6.291 1.00 0.00 N ATOM 765 CA HIS A 76 10.686 2.354 -4.995 1.00 0.00 C ATOM 766 C HIS A 76 9.179 2.171 -5.177 1.00 0.00 C ATOM 767 O HIS A 76 8.560 1.346 -4.505 1.00 0.00 O ATOM 768 CB HIS A 76 10.958 3.560 -4.089 1.00 0.00 C ATOM 769 CG HIS A 76 12.412 3.797 -3.810 1.00 0.00 C ATOM 770 ND1 HIS A 76 12.874 4.885 -3.099 1.00 0.00 N ATOM 771 CD2 HIS A 76 13.512 3.082 -4.152 1.00 0.00 C ATOM 772 CE1 HIS A 76 14.191 4.832 -3.019 1.00 0.00 C ATOM 773 NE2 HIS A 76 14.601 3.748 -3.649 1.00 0.00 N ATOM 0 H HIS A 76 11.796 3.424 -6.427 1.00 0.00 H new ATOM 0 HA HIS A 76 11.092 1.460 -4.522 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.537 4.452 -4.553 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.436 3.416 -3.143 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.528 2.161 -4.715 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.824 5.553 -2.523 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.572 3.452 -3.747 1.00 0.00 H new ATOM 782 N VAL A 77 8.599 2.955 -6.089 1.00 0.00 N ATOM 783 CA VAL A 77 7.170 2.887 -6.384 1.00 0.00 C ATOM 784 C VAL A 77 6.787 1.516 -6.937 1.00 0.00 C ATOM 785 O VAL A 77 5.897 0.848 -6.411 1.00 0.00 O ATOM 786 CB VAL A 77 6.764 3.968 -7.410 1.00 0.00 C ATOM 787 CG1 VAL A 77 5.342 3.737 -7.908 1.00 0.00 C ATOM 788 CG2 VAL A 77 6.896 5.352 -6.795 1.00 0.00 C ATOM 0 H VAL A 77 9.104 3.649 -6.639 1.00 0.00 H new ATOM 0 HA VAL A 77 6.642 3.059 -5.446 1.00 0.00 H new ATOM 0 HB VAL A 77 7.436 3.900 -8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.079 4.511 -8.629 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.278 2.759 -8.385 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.651 3.776 -7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.607 6.105 -7.528 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.246 5.426 -5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.930 5.518 -6.492 1.00 0.00 H new ATOM 798 N ARG A 78 7.479 1.109 -8.003 1.00 0.00 N ATOM 799 CA ARG A 78 7.224 -0.171 -8.656 1.00 0.00 C ATOM 800 C ARG A 78 7.568 -1.344 -7.742 1.00 0.00 C ATOM 801 O ARG A 78 6.792 -2.295 -7.642 1.00 0.00 O ATOM 802 CB ARG A 78 8.023 -0.271 -9.958 1.00 0.00 C ATOM 803 CG ARG A 78 7.652 -1.472 -10.810 1.00 0.00 C ATOM 804 CD ARG A 78 8.524 -1.565 -12.049 1.00 0.00 C ATOM 805 NE ARG A 78 8.066 -2.612 -12.964 1.00 0.00 N ATOM 806 CZ ARG A 78 8.305 -2.615 -14.278 1.00 0.00 C ATOM 807 NH1 ARG A 78 9.007 -1.635 -14.842 1.00 0.00 N ATOM 808 NH2 ARG A 78 7.841 -3.606 -15.032 1.00 0.00 N ATOM 0 H ARG A 78 8.226 1.654 -8.433 1.00 0.00 H new ATOM 0 HA ARG A 78 6.159 -0.221 -8.882 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.869 0.638 -10.540 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.085 -0.320 -9.719 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.756 -2.383 -10.221 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.605 -1.401 -11.105 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.523 -0.605 -12.566 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.554 -1.767 -11.754 1.00 0.00 H new ATOM 0 HE ARG A 78 7.531 -3.388 -12.574 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.368 -0.872 -14.270 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.184 -1.647 -15.846 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.304 -4.362 -14.607 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.022 -3.611 -16.036 1.00 0.00 H new ATOM 822 N ASP A 79 8.726 -1.283 -7.083 1.00 0.00 N ATOM 823 CA ASP A 79 9.138 -2.360 -6.187 1.00 0.00 C ATOM 824 C ASP A 79 8.117 -2.554 -5.067 1.00 0.00 C ATOM 825 O ASP A 79 7.789 -3.686 -4.713 1.00 0.00 O ATOM 826 CB ASP A 79 10.525 -2.097 -5.596 1.00 0.00 C ATOM 827 CG ASP A 79 10.987 -3.227 -4.696 1.00 0.00 C ATOM 828 OD1 ASP A 79 11.601 -4.185 -5.213 1.00 0.00 O ATOM 829 OD2 ASP A 79 10.729 -3.159 -3.475 1.00 0.00 O ATOM 0 H ASP A 79 9.387 -0.509 -7.152 1.00 0.00 H new ATOM 0 HA ASP A 79 9.190 -3.274 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.243 -1.962 -6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.506 -1.167 -5.028 1.00 0.00 H new ATOM 834 N TRP A 80 7.623 -1.444 -4.507 1.00 0.00 N ATOM 835 CA TRP A 80 6.629 -1.521 -3.442 1.00 0.00 C ATOM 836 C TRP A 80 5.361 -2.170 -3.995 1.00 0.00 C ATOM 837 O TRP A 80 4.916 -3.200 -3.491 1.00 0.00 O ATOM 838 CB TRP A 80 6.331 -0.137 -2.851 1.00 0.00 C ATOM 839 CG TRP A 80 5.032 -0.071 -2.105 1.00 0.00 C ATOM 840 CD1 TRP A 80 4.752 -0.617 -0.885 1.00 0.00 C ATOM 841 CD2 TRP A 80 3.832 0.572 -2.542 1.00 0.00 C ATOM 842 NE1 TRP A 80 3.449 -0.353 -0.540 1.00 0.00 N ATOM 843 CE2 TRP A 80 2.864 0.376 -1.541 1.00 0.00 C ATOM 844 CE3 TRP A 80 3.483 1.295 -3.686 1.00 0.00 C ATOM 845 CZ2 TRP A 80 1.570 0.878 -1.649 1.00 0.00 C ATOM 846 CZ3 TRP A 80 2.199 1.792 -3.791 1.00 0.00 C ATOM 847 CH2 TRP A 80 1.257 1.582 -2.780 1.00 0.00 C ATOM 0 H TRP A 80 7.893 -0.497 -4.772 1.00 0.00 H new ATOM 0 HA TRP A 80 7.023 -2.131 -2.629 1.00 0.00 H new ATOM 0 HB2 TRP A 80 7.141 0.144 -2.179 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.316 0.597 -3.656 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.452 -1.174 -0.280 1.00 0.00 H new ATOM 0 HE1 TRP A 80 2.992 -0.651 0.321 1.00 0.00 H new ATOM 0 HE3 TRP A 80 4.204 1.462 -4.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 0.840 0.718 -0.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 1.918 2.353 -4.670 1.00 0.00 H new ATOM 0 HH2 TRP A 80 0.261 1.984 -2.894 1.00 0.00 H new ATOM 858 N VAL A 81 4.768 -1.533 -5.012 1.00 0.00 N ATOM 859 CA VAL A 81 3.584 -2.075 -5.680 1.00 0.00 C ATOM 860 C VAL A 81 3.738 -3.581 -5.897 1.00 0.00 C ATOM 861 O VAL A 81 2.885 -4.365 -5.482 1.00 0.00 O ATOM 862 CB VAL A 81 3.345 -1.381 -7.045 1.00 0.00 C ATOM 863 CG1 VAL A 81 2.334 -2.149 -7.885 1.00 0.00 C ATOM 864 CG2 VAL A 81 2.889 0.055 -6.845 1.00 0.00 C ATOM 0 H VAL A 81 5.091 -0.642 -5.389 1.00 0.00 H new ATOM 0 HA VAL A 81 2.725 -1.886 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 81 4.292 -1.372 -7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.188 -1.637 -8.836 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.705 -3.157 -8.069 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.385 -2.203 -7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.727 0.524 -7.816 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.959 0.066 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.654 0.607 -6.299 1.00 0.00 H new ATOM 874 N MET A 82 4.845 -3.969 -6.536 1.00 0.00 N ATOM 875 CA MET A 82 5.141 -5.376 -6.805 1.00 0.00 C ATOM 876 C MET A 82 5.145 -6.185 -5.508 1.00 0.00 C ATOM 877 O MET A 82 4.568 -7.269 -5.440 1.00 0.00 O ATOM 878 CB MET A 82 6.500 -5.500 -7.499 1.00 0.00 C ATOM 879 CG MET A 82 6.750 -6.862 -8.126 1.00 0.00 C ATOM 880 SD MET A 82 8.237 -6.891 -9.146 1.00 0.00 S ATOM 881 CE MET A 82 7.852 -5.610 -10.339 1.00 0.00 C ATOM 0 H MET A 82 5.555 -3.322 -6.878 1.00 0.00 H new ATOM 0 HA MET A 82 4.364 -5.773 -7.459 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.573 -4.736 -8.273 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.287 -5.295 -6.774 1.00 0.00 H new ATOM 0 HG2 MET A 82 6.839 -7.610 -7.338 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.890 -7.141 -8.735 1.00 0.00 H new ATOM 0 HE1 MET A 82 8.725 -5.421 -10.964 1.00 0.00 H new ATOM 0 HE2 MET A 82 7.021 -5.934 -10.965 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.576 -4.695 -9.814 1.00 0.00 H new ATOM 891 N TRP A 83 5.811 -5.640 -4.487 1.00 0.00 N ATOM 892 CA TRP A 83 5.890 -6.279 -3.175 1.00 0.00 C ATOM 893 C TRP A 83 4.489 -6.538 -2.608 1.00 0.00 C ATOM 894 O TRP A 83 4.256 -7.559 -1.963 1.00 0.00 O ATOM 895 CB TRP A 83 6.710 -5.399 -2.220 1.00 0.00 C ATOM 896 CG TRP A 83 6.642 -5.819 -0.782 1.00 0.00 C ATOM 897 CD1 TRP A 83 7.487 -6.675 -0.138 1.00 0.00 C ATOM 898 CD2 TRP A 83 5.681 -5.394 0.191 1.00 0.00 C ATOM 899 NE1 TRP A 83 7.109 -6.809 1.176 1.00 0.00 N ATOM 900 CE2 TRP A 83 6.002 -6.034 1.402 1.00 0.00 C ATOM 901 CE3 TRP A 83 4.577 -4.534 0.155 1.00 0.00 C ATOM 902 CZ2 TRP A 83 5.261 -5.841 2.565 1.00 0.00 C ATOM 903 CZ3 TRP A 83 3.844 -4.345 1.310 1.00 0.00 C ATOM 904 CH2 TRP A 83 4.188 -4.995 2.500 1.00 0.00 C ATOM 0 H TRP A 83 6.306 -4.750 -4.547 1.00 0.00 H new ATOM 0 HA TRP A 83 6.387 -7.243 -3.283 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.752 -5.409 -2.540 1.00 0.00 H new ATOM 0 HB3 TRP A 83 6.361 -4.370 -2.303 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.329 -7.174 -0.594 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.577 -7.391 1.871 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.304 -4.028 -0.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.524 -6.341 3.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 2.990 -3.684 1.294 1.00 0.00 H new ATOM 0 HH2 TRP A 83 3.594 -4.825 3.386 1.00 0.00 H new ATOM 915 N ALA A 84 3.558 -5.613 -2.864 1.00 0.00 N ATOM 916 CA ALA A 84 2.182 -5.749 -2.384 1.00 0.00 C ATOM 917 C ALA A 84 1.403 -6.770 -3.220 1.00 0.00 C ATOM 918 O ALA A 84 0.385 -7.300 -2.773 1.00 0.00 O ATOM 919 CB ALA A 84 1.475 -4.402 -2.389 1.00 0.00 C ATOM 0 H ALA A 84 3.734 -4.763 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 84 2.221 -6.114 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.454 -4.526 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.008 -3.709 -1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.456 -4.005 -3.404 1.00 0.00 H new ATOM 925 N VAL A 85 1.890 -7.042 -4.436 1.00 0.00 N ATOM 926 CA VAL A 85 1.250 -8.006 -5.326 1.00 0.00 C ATOM 927 C VAL A 85 1.603 -9.435 -4.910 1.00 0.00 C ATOM 928 O VAL A 85 0.787 -10.345 -5.035 1.00 0.00 O ATOM 929 CB VAL A 85 1.662 -7.789 -6.800 1.00 0.00 C ATOM 930 CG1 VAL A 85 1.038 -8.847 -7.698 1.00 0.00 C ATOM 931 CG2 VAL A 85 1.269 -6.396 -7.266 1.00 0.00 C ATOM 0 H VAL A 85 2.727 -6.605 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 85 0.174 -7.853 -5.243 1.00 0.00 H new ATOM 0 HB VAL A 85 2.746 -7.882 -6.866 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.342 -8.674 -8.730 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.372 -9.835 -7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.048 -8.791 -7.626 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.567 -6.263 -8.306 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.189 -6.275 -7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.768 -5.651 -6.647 1.00 0.00 H new ATOM 941 N ASN A 86 2.832 -9.622 -4.419 1.00 0.00 N ATOM 942 CA ASN A 86 3.298 -10.935 -3.976 1.00 0.00 C ATOM 943 C ASN A 86 2.847 -11.226 -2.543 1.00 0.00 C ATOM 944 O ASN A 86 2.499 -12.362 -2.215 1.00 0.00 O ATOM 945 CB ASN A 86 4.825 -11.020 -4.068 1.00 0.00 C ATOM 946 CG ASN A 86 5.329 -10.909 -5.495 1.00 0.00 C ATOM 947 OD1 ASN A 86 5.419 -12.042 -6.184 1.00 0.00 O flip ATOM 948 ND2 ASN A 86 5.634 -9.817 -5.975 1.00 0.00 N flip ATOM 0 H ASN A 86 3.522 -8.877 -4.319 1.00 0.00 H new ATOM 0 HA ASN A 86 2.858 -11.684 -4.634 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.267 -10.225 -3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.159 -11.965 -3.641 1.00 0.00 H new ATOM 0 HD21 ASN A 86 5.550 -8.971 -5.412 1.00 0.00 H new ATOM 0 HD22 ASN A 86 5.971 -9.758 -6.936 1.00 0.00 H new ATOM 955 N GLU A 87 2.849 -10.194 -1.695 1.00 0.00 N ATOM 956 CA GLU A 87 2.441 -10.337 -0.296 1.00 0.00 C ATOM 957 C GLU A 87 0.935 -10.578 -0.178 1.00 0.00 C ATOM 958 O GLU A 87 0.488 -11.328 0.691 1.00 0.00 O ATOM 959 CB GLU A 87 2.824 -9.087 0.505 1.00 0.00 C ATOM 960 CG GLU A 87 4.324 -8.866 0.625 1.00 0.00 C ATOM 961 CD GLU A 87 4.966 -9.732 1.692 1.00 0.00 C ATOM 962 OE1 GLU A 87 5.245 -10.917 1.409 1.00 0.00 O ATOM 963 OE2 GLU A 87 5.193 -9.225 2.811 1.00 0.00 O ATOM 0 H GLU A 87 3.130 -9.248 -1.954 1.00 0.00 H new ATOM 0 HA GLU A 87 2.963 -11.202 0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.375 -8.213 0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.397 -9.164 1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.795 -9.074 -0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.514 -7.817 0.853 1.00 0.00 H new ATOM 970 N PHE A 88 0.159 -9.936 -1.054 1.00 0.00 N ATOM 971 CA PHE A 88 -1.297 -10.075 -1.042 1.00 0.00 C ATOM 972 C PHE A 88 -1.814 -10.866 -2.249 1.00 0.00 C ATOM 973 O PHE A 88 -3.025 -10.942 -2.460 1.00 0.00 O ATOM 974 CB PHE A 88 -1.953 -8.691 -1.025 1.00 0.00 C ATOM 975 CG PHE A 88 -1.668 -7.896 0.218 1.00 0.00 C ATOM 976 CD1 PHE A 88 -0.549 -7.081 0.296 1.00 0.00 C ATOM 977 CD2 PHE A 88 -2.522 -7.960 1.307 1.00 0.00 C ATOM 978 CE1 PHE A 88 -0.288 -6.345 1.437 1.00 0.00 C ATOM 979 CE2 PHE A 88 -2.266 -7.228 2.450 1.00 0.00 C ATOM 980 CZ PHE A 88 -1.148 -6.419 2.515 1.00 0.00 C ATOM 0 H PHE A 88 0.516 -9.315 -1.780 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.561 -10.629 -0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.610 -8.127 -1.892 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.032 -8.810 -1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.127 -7.020 -0.544 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.398 -8.590 1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.587 -5.713 1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.939 -7.288 3.292 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.947 -5.845 3.408 1.00 0.00 H new ATOM 990 N SER A 89 -0.901 -11.466 -3.029 1.00 0.00 N ATOM 991 CA SER A 89 -1.283 -12.229 -4.222 1.00 0.00 C ATOM 992 C SER A 89 -2.350 -11.477 -5.020 1.00 0.00 C ATOM 993 O SER A 89 -3.475 -11.955 -5.189 1.00 0.00 O ATOM 994 CB SER A 89 -1.786 -13.623 -3.827 1.00 0.00 C ATOM 995 OG SER A 89 -2.030 -14.423 -4.972 1.00 0.00 O ATOM 0 H SER A 89 0.103 -11.436 -2.854 1.00 0.00 H new ATOM 0 HA SER A 89 -0.403 -12.347 -4.854 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.049 -14.111 -3.189 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.702 -13.530 -3.243 1.00 0.00 H new ATOM 0 HG SER A 89 -2.348 -15.307 -4.692 1.00 0.00 H new ATOM 1001 N LEU A 90 -1.987 -10.287 -5.502 1.00 0.00 N ATOM 1002 CA LEU A 90 -2.911 -9.451 -6.260 1.00 0.00 C ATOM 1003 C LEU A 90 -2.829 -9.742 -7.756 1.00 0.00 C ATOM 1004 O LEU A 90 -1.795 -10.192 -8.256 1.00 0.00 O ATOM 1005 CB LEU A 90 -2.618 -7.973 -5.986 1.00 0.00 C ATOM 1006 CG LEU A 90 -2.591 -7.586 -4.504 1.00 0.00 C ATOM 1007 CD1 LEU A 90 -2.277 -6.107 -4.338 1.00 0.00 C ATOM 1008 CD2 LEU A 90 -3.916 -7.933 -3.839 1.00 0.00 C ATOM 0 H LEU A 90 -1.059 -9.883 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.925 -9.683 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.656 -7.720 -6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.371 -7.368 -6.491 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.801 -8.156 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.263 -5.855 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.302 -5.891 -4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.040 -5.514 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.880 -7.652 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.723 -7.391 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.095 -9.005 -3.922 1.00 0.00 H new ATOM 1020 N LYS A 91 -3.928 -9.487 -8.464 1.00 0.00 N ATOM 1021 CA LYS A 91 -3.987 -9.721 -9.906 1.00 0.00 C ATOM 1022 C LYS A 91 -4.664 -8.557 -10.629 1.00 0.00 C ATOM 1023 O LYS A 91 -5.516 -7.870 -10.062 1.00 0.00 O ATOM 1024 CB LYS A 91 -4.736 -11.022 -10.215 1.00 0.00 C ATOM 1025 CG LYS A 91 -4.104 -12.262 -9.600 1.00 0.00 C ATOM 1026 CD LYS A 91 -4.636 -12.526 -8.200 1.00 0.00 C ATOM 1027 CE LYS A 91 -3.987 -13.753 -7.573 1.00 0.00 C ATOM 1028 NZ LYS A 91 -4.262 -14.994 -8.352 1.00 0.00 N ATOM 0 H LYS A 91 -4.790 -9.118 -8.062 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.961 -9.805 -10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.761 -10.933 -9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.788 -11.151 -11.296 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.304 -13.126 -10.234 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.022 -12.138 -9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.452 -11.655 -7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.716 -12.667 -8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.910 -13.599 -7.507 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.355 -13.876 -6.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.981 -15.824 -7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.278 -15.050 -8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.719 -14.974 -9.239 1.00 0.00 H new ATOM 1042 N GLY A 92 -4.274 -8.348 -11.887 1.00 0.00 N ATOM 1043 CA GLY A 92 -4.851 -7.276 -12.684 1.00 0.00 C ATOM 1044 C GLY A 92 -4.105 -5.953 -12.563 1.00 0.00 C ATOM 1045 O GLY A 92 -4.366 -5.026 -13.333 1.00 0.00 O ATOM 0 H GLY A 92 -3.567 -8.904 -12.369 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.865 -7.581 -13.731 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.887 -7.128 -12.381 1.00 0.00 H new ATOM 1049 N VAL A 93 -3.175 -5.856 -11.607 1.00 0.00 N ATOM 1050 CA VAL A 93 -2.410 -4.629 -11.405 1.00 0.00 C ATOM 1051 C VAL A 93 -1.280 -4.517 -12.424 1.00 0.00 C ATOM 1052 O VAL A 93 -0.621 -5.507 -12.748 1.00 0.00 O ATOM 1053 CB VAL A 93 -1.831 -4.547 -9.973 1.00 0.00 C ATOM 1054 CG1 VAL A 93 -0.810 -5.651 -9.730 1.00 0.00 C ATOM 1055 CG2 VAL A 93 -1.217 -3.177 -9.716 1.00 0.00 C ATOM 0 H VAL A 93 -2.937 -6.612 -10.965 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.099 -3.796 -11.544 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.652 -4.690 -9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.420 -5.569 -8.716 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.287 -6.623 -9.858 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.009 -5.553 -10.443 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.816 -3.142 -8.703 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.413 -2.999 -10.431 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.981 -2.408 -9.830 1.00 0.00 H new ATOM 1065 N ASP A 94 -1.069 -3.304 -12.927 1.00 0.00 N ATOM 1066 CA ASP A 94 -0.029 -3.050 -13.917 1.00 0.00 C ATOM 1067 C ASP A 94 1.018 -2.077 -13.381 1.00 0.00 C ATOM 1068 O ASP A 94 0.695 -1.143 -12.644 1.00 0.00 O ATOM 1069 CB ASP A 94 -0.655 -2.491 -15.194 1.00 0.00 C ATOM 1070 CG ASP A 94 -1.592 -3.479 -15.863 1.00 0.00 C ATOM 1071 OD1 ASP A 94 -1.117 -4.269 -16.706 1.00 0.00 O ATOM 1072 OD2 ASP A 94 -2.799 -3.463 -15.543 1.00 0.00 O ATOM 0 H ASP A 94 -1.607 -2.479 -12.663 1.00 0.00 H new ATOM 0 HA ASP A 94 0.469 -3.994 -14.138 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.203 -1.579 -14.957 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.136 -2.216 -15.892 1.00 0.00 H new ATOM 1077 N PHE A 95 2.275 -2.304 -13.765 1.00 0.00 N ATOM 1078 CA PHE A 95 3.381 -1.448 -13.335 1.00 0.00 C ATOM 1079 C PHE A 95 3.584 -0.284 -14.309 1.00 0.00 C ATOM 1080 O PHE A 95 4.217 0.714 -13.959 1.00 0.00 O ATOM 1081 CB PHE A 95 4.671 -2.261 -13.195 1.00 0.00 C ATOM 1082 CG PHE A 95 4.570 -3.378 -12.192 1.00 0.00 C ATOM 1083 CD1 PHE A 95 4.555 -3.106 -10.833 1.00 0.00 C ATOM 1084 CD2 PHE A 95 4.484 -4.696 -12.609 1.00 0.00 C ATOM 1085 CE1 PHE A 95 4.458 -4.130 -9.910 1.00 0.00 C ATOM 1086 CE2 PHE A 95 4.385 -5.723 -11.690 1.00 0.00 C ATOM 1087 CZ PHE A 95 4.373 -5.439 -10.339 1.00 0.00 C ATOM 0 H PHE A 95 2.552 -3.074 -14.373 1.00 0.00 H new ATOM 0 HA PHE A 95 3.126 -1.034 -12.359 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.935 -2.678 -14.167 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.482 -1.594 -12.903 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.620 -2.083 -10.492 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.494 -4.924 -13.665 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.449 -3.906 -8.854 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.317 -6.746 -12.028 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.297 -6.240 -9.619 1.00 0.00 H new ATOM 1097 N GLN A 96 3.050 -0.415 -15.529 1.00 0.00 N ATOM 1098 CA GLN A 96 3.150 0.645 -16.532 1.00 0.00 C ATOM 1099 C GLN A 96 2.443 1.906 -16.034 1.00 0.00 C ATOM 1100 O GLN A 96 2.892 3.025 -16.287 1.00 0.00 O ATOM 1101 CB GLN A 96 2.530 0.191 -17.858 1.00 0.00 C ATOM 1102 CG GLN A 96 3.230 -1.008 -18.483 1.00 0.00 C ATOM 1103 CD GLN A 96 2.549 -1.487 -19.753 1.00 0.00 C ATOM 1104 OE1 GLN A 96 1.961 -0.698 -20.495 1.00 0.00 O ATOM 1105 NE2 GLN A 96 2.622 -2.789 -20.011 1.00 0.00 N ATOM 0 H GLN A 96 2.546 -1.244 -15.843 1.00 0.00 H new ATOM 0 HA GLN A 96 4.205 0.866 -16.697 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.482 -0.057 -17.692 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.553 1.022 -18.563 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.264 -0.744 -18.707 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.259 -1.824 -17.761 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.119 -3.409 -19.371 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.181 -3.168 -20.849 1.00 0.00 H new ATOM 1114 N LYS A 97 1.331 1.706 -15.321 1.00 0.00 N ATOM 1115 CA LYS A 97 0.550 2.803 -14.754 1.00 0.00 C ATOM 1116 C LYS A 97 1.309 3.489 -13.619 1.00 0.00 C ATOM 1117 O LYS A 97 1.199 4.702 -13.433 1.00 0.00 O ATOM 1118 CB LYS A 97 -0.789 2.278 -14.225 1.00 0.00 C ATOM 1119 CG LYS A 97 -1.834 2.048 -15.307 1.00 0.00 C ATOM 1120 CD LYS A 97 -1.396 0.981 -16.300 1.00 0.00 C ATOM 1121 CE LYS A 97 -2.489 0.681 -17.312 1.00 0.00 C ATOM 1122 NZ LYS A 97 -2.071 -0.363 -18.290 1.00 0.00 N ATOM 0 H LYS A 97 0.950 0.781 -15.122 1.00 0.00 H new ATOM 0 HA LYS A 97 0.372 3.531 -15.545 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.617 1.341 -13.696 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.184 2.987 -13.498 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.775 1.750 -14.845 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.020 2.982 -15.836 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.498 1.313 -16.821 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.134 0.069 -15.764 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.386 0.350 -16.789 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.750 1.595 -17.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.845 -0.538 -18.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.230 -0.037 -18.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.847 -1.243 -17.784 1.00 0.00 H new ATOM 1136 N PHE A 98 2.081 2.703 -12.861 1.00 0.00 N ATOM 1137 CA PHE A 98 2.853 3.234 -11.740 1.00 0.00 C ATOM 1138 C PHE A 98 4.321 3.449 -12.121 1.00 0.00 C ATOM 1139 O PHE A 98 5.213 3.293 -11.285 1.00 0.00 O ATOM 1140 CB PHE A 98 2.757 2.290 -10.536 1.00 0.00 C ATOM 1141 CG PHE A 98 1.351 2.089 -10.044 1.00 0.00 C ATOM 1142 CD1 PHE A 98 0.584 3.169 -9.643 1.00 0.00 C ATOM 1143 CD2 PHE A 98 0.799 0.819 -9.983 1.00 0.00 C ATOM 1144 CE1 PHE A 98 -0.707 2.989 -9.190 1.00 0.00 C ATOM 1145 CE2 PHE A 98 -0.493 0.633 -9.532 1.00 0.00 C ATOM 1146 CZ PHE A 98 -1.247 1.721 -9.135 1.00 0.00 C ATOM 0 H PHE A 98 2.186 1.699 -13.006 1.00 0.00 H new ATOM 0 HA PHE A 98 2.429 4.202 -11.474 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.180 1.323 -10.808 1.00 0.00 H new ATOM 0 HB3 PHE A 98 3.365 2.687 -9.723 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.001 4.164 -9.685 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.385 -0.034 -10.291 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.294 3.840 -8.879 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.913 -0.361 -9.490 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.258 1.579 -8.782 1.00 0.00 H new ATOM 1156 N CYS A 99 4.567 3.813 -13.382 1.00 0.00 N ATOM 1157 CA CYS A 99 5.925 4.057 -13.858 1.00 0.00 C ATOM 1158 C CYS A 99 6.329 5.508 -13.584 1.00 0.00 C ATOM 1159 O CYS A 99 6.560 6.290 -14.509 1.00 0.00 O ATOM 1160 CB CYS A 99 6.034 3.736 -15.353 1.00 0.00 C ATOM 1161 SG CYS A 99 7.719 3.807 -16.007 1.00 0.00 S ATOM 0 H CYS A 99 3.843 3.944 -14.088 1.00 0.00 H new ATOM 0 HA CYS A 99 6.608 3.401 -13.318 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.630 2.739 -15.529 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.411 4.436 -15.910 1.00 0.00 H new ATOM 0 HG CYS A 99 7.705 3.519 -17.275 1.00 0.00 H new ATOM 1167 N MET A 100 6.407 5.855 -12.299 1.00 0.00 N ATOM 1168 CA MET A 100 6.770 7.207 -11.881 1.00 0.00 C ATOM 1169 C MET A 100 7.342 7.200 -10.463 1.00 0.00 C ATOM 1170 O MET A 100 7.265 6.191 -9.759 1.00 0.00 O ATOM 1171 CB MET A 100 5.544 8.126 -11.949 1.00 0.00 C ATOM 1172 CG MET A 100 4.534 7.886 -10.835 1.00 0.00 C ATOM 1173 SD MET A 100 2.938 8.657 -11.161 1.00 0.00 S ATOM 1174 CE MET A 100 2.292 7.575 -12.434 1.00 0.00 C ATOM 0 H MET A 100 6.222 5.214 -11.527 1.00 0.00 H new ATOM 0 HA MET A 100 7.536 7.583 -12.559 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.876 9.163 -11.908 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.050 7.987 -12.911 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.394 6.813 -10.703 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.935 8.273 -9.898 1.00 0.00 H new ATOM 0 HE1 MET A 100 2.041 8.162 -13.318 1.00 0.00 H new ATOM 0 HE2 MET A 100 3.044 6.830 -12.695 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.397 7.073 -12.066 1.00 0.00 H new ATOM 1184 N SER A 101 7.912 8.332 -10.051 1.00 0.00 N ATOM 1185 CA SER A 101 8.499 8.457 -8.718 1.00 0.00 C ATOM 1186 C SER A 101 7.419 8.606 -7.645 1.00 0.00 C ATOM 1187 O SER A 101 6.273 8.947 -7.946 1.00 0.00 O ATOM 1188 CB SER A 101 9.463 9.645 -8.662 1.00 0.00 C ATOM 1189 OG SER A 101 10.551 9.462 -9.554 1.00 0.00 O ATOM 0 H SER A 101 7.980 9.175 -10.621 1.00 0.00 H new ATOM 0 HA SER A 101 9.054 7.541 -8.516 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.931 10.562 -8.916 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.838 9.765 -7.646 1.00 0.00 H new ATOM 0 HG SER A 101 11.151 10.235 -9.501 1.00 0.00 H new ATOM 1195 N GLY A 102 7.799 8.346 -6.393 1.00 0.00 N ATOM 1196 CA GLY A 102 6.866 8.443 -5.282 1.00 0.00 C ATOM 1197 C GLY A 102 6.221 9.811 -5.167 1.00 0.00 C ATOM 1198 O GLY A 102 5.013 9.911 -4.947 1.00 0.00 O ATOM 0 H GLY A 102 8.744 8.068 -6.129 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.088 7.689 -5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.390 8.215 -4.354 1.00 0.00 H new ATOM 1202 N ALA A 103 7.026 10.870 -5.309 1.00 0.00 N ATOM 1203 CA ALA A 103 6.519 12.241 -5.230 1.00 0.00 C ATOM 1204 C ALA A 103 5.328 12.439 -6.167 1.00 0.00 C ATOM 1205 O ALA A 103 4.355 13.107 -5.816 1.00 0.00 O ATOM 1206 CB ALA A 103 7.626 13.231 -5.563 1.00 0.00 C ATOM 0 H ALA A 103 8.029 10.802 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 103 6.180 12.421 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.236 14.247 -5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.445 13.113 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.990 13.043 -6.573 1.00 0.00 H new ATOM 1212 N ALA A 104 5.413 11.845 -7.361 1.00 0.00 N ATOM 1213 CA ALA A 104 4.341 11.942 -8.349 1.00 0.00 C ATOM 1214 C ALA A 104 3.137 11.110 -7.919 1.00 0.00 C ATOM 1215 O ALA A 104 1.995 11.563 -8.004 1.00 0.00 O ATOM 1216 CB ALA A 104 4.835 11.483 -9.713 1.00 0.00 C ATOM 0 H ALA A 104 6.215 11.292 -7.664 1.00 0.00 H new ATOM 0 HA ALA A 104 4.034 12.985 -8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.025 11.561 -10.438 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.667 12.112 -10.029 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.167 10.447 -9.650 1.00 0.00 H new ATOM 1222 N LEU A 105 3.410 9.888 -7.451 1.00 0.00 N ATOM 1223 CA LEU A 105 2.368 8.970 -6.996 1.00 0.00 C ATOM 1224 C LEU A 105 1.532 9.591 -5.874 1.00 0.00 C ATOM 1225 O LEU A 105 0.302 9.527 -5.905 1.00 0.00 O ATOM 1226 CB LEU A 105 3.002 7.661 -6.516 1.00 0.00 C ATOM 1227 CG LEU A 105 2.058 6.461 -6.463 1.00 0.00 C ATOM 1228 CD1 LEU A 105 1.651 6.039 -7.867 1.00 0.00 C ATOM 1229 CD2 LEU A 105 2.716 5.304 -5.723 1.00 0.00 C ATOM 0 H LEU A 105 4.355 9.511 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 105 1.704 8.765 -7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.836 7.418 -7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.417 7.821 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 105 1.158 6.750 -5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.979 5.183 -7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.143 6.866 -8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.539 5.765 -8.436 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.032 4.456 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.631 5.015 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.957 5.613 -4.706 1.00 0.00 H new ATOM 1241 N CYS A 106 2.203 10.188 -4.885 1.00 0.00 N ATOM 1242 CA CYS A 106 1.512 10.832 -3.768 1.00 0.00 C ATOM 1243 C CYS A 106 0.680 12.017 -4.261 1.00 0.00 C ATOM 1244 O CYS A 106 -0.430 12.251 -3.780 1.00 0.00 O ATOM 1245 CB CYS A 106 2.519 11.296 -2.709 1.00 0.00 C ATOM 1246 SG CYS A 106 1.776 12.164 -1.307 1.00 0.00 S ATOM 0 H CYS A 106 3.221 10.238 -4.836 1.00 0.00 H new ATOM 0 HA CYS A 106 0.841 10.102 -3.315 1.00 0.00 H new ATOM 0 HB2 CYS A 106 3.063 10.428 -2.337 1.00 0.00 H new ATOM 0 HB3 CYS A 106 3.250 11.952 -3.182 1.00 0.00 H new ATOM 0 HG CYS A 106 2.707 12.512 -0.469 1.00 0.00 H new ATOM 1252 N ALA A 107 1.228 12.757 -5.230 1.00 0.00 N ATOM 1253 CA ALA A 107 0.541 13.912 -5.809 1.00 0.00 C ATOM 1254 C ALA A 107 -0.717 13.492 -6.578 1.00 0.00 C ATOM 1255 O ALA A 107 -1.664 14.271 -6.699 1.00 0.00 O ATOM 1256 CB ALA A 107 1.484 14.681 -6.725 1.00 0.00 C ATOM 0 H ALA A 107 2.148 12.574 -5.630 1.00 0.00 H new ATOM 0 HA ALA A 107 0.230 14.559 -4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.961 15.538 -7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.344 15.028 -6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.823 14.028 -7.529 1.00 0.00 H new ATOM 1262 N LEU A 108 -0.721 12.257 -7.094 1.00 0.00 N ATOM 1263 CA LEU A 108 -1.860 11.733 -7.852 1.00 0.00 C ATOM 1264 C LEU A 108 -3.118 11.613 -6.987 1.00 0.00 C ATOM 1265 O LEU A 108 -4.229 11.833 -7.471 1.00 0.00 O ATOM 1266 CB LEU A 108 -1.519 10.364 -8.453 1.00 0.00 C ATOM 1267 CG LEU A 108 -0.542 10.387 -9.630 1.00 0.00 C ATOM 1268 CD1 LEU A 108 -0.234 8.972 -10.091 1.00 0.00 C ATOM 1269 CD2 LEU A 108 -1.104 11.211 -10.781 1.00 0.00 C ATOM 0 H LEU A 108 0.055 11.602 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.067 12.444 -8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.099 9.736 -7.667 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.444 9.890 -8.780 1.00 0.00 H new ATOM 0 HG LEU A 108 0.385 10.853 -9.296 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.462 9.006 -10.929 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.213 8.411 -9.270 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.156 8.483 -10.405 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.393 11.214 -11.607 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.046 10.776 -11.114 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.276 12.234 -10.446 1.00 0.00 H new ATOM 1281 N GLY A 109 -2.939 11.270 -5.709 1.00 0.00 N ATOM 1282 CA GLY A 109 -4.074 11.116 -4.814 1.00 0.00 C ATOM 1283 C GLY A 109 -4.801 9.797 -5.015 1.00 0.00 C ATOM 1284 O GLY A 109 -4.462 9.025 -5.915 1.00 0.00 O ATOM 0 H GLY A 109 -2.030 11.097 -5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.730 11.184 -3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.771 11.939 -4.972 1.00 0.00 H new ATOM 1288 N LYS A 110 -5.803 9.539 -4.173 1.00 0.00 N ATOM 1289 CA LYS A 110 -6.586 8.303 -4.254 1.00 0.00 C ATOM 1290 C LYS A 110 -7.276 8.162 -5.612 1.00 0.00 C ATOM 1291 O LYS A 110 -7.273 7.083 -6.203 1.00 0.00 O ATOM 1292 CB LYS A 110 -7.634 8.259 -3.137 1.00 0.00 C ATOM 1293 CG LYS A 110 -8.501 7.007 -3.165 1.00 0.00 C ATOM 1294 CD LYS A 110 -9.475 6.970 -1.998 1.00 0.00 C ATOM 1295 CE LYS A 110 -10.582 8.001 -2.155 1.00 0.00 C ATOM 1296 NZ LYS A 110 -11.458 7.710 -3.326 1.00 0.00 N ATOM 0 H LYS A 110 -6.092 10.170 -3.426 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.893 7.470 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.129 8.320 -2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.275 9.137 -3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.055 6.969 -4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.864 6.123 -3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.913 5.975 -1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.936 7.154 -1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.186 8.025 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.141 8.991 -2.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.321 8.441 -4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.212 6.780 -3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -12.453 7.706 -3.023 1.00 0.00 H new ATOM 1310 N GLU A 111 -7.866 9.254 -6.097 1.00 0.00 N ATOM 1311 CA GLU A 111 -8.568 9.257 -7.383 1.00 0.00 C ATOM 1312 C GLU A 111 -7.679 8.749 -8.516 1.00 0.00 C ATOM 1313 O GLU A 111 -7.938 7.684 -9.083 1.00 0.00 O ATOM 1314 CB GLU A 111 -9.065 10.668 -7.715 1.00 0.00 C ATOM 1315 CG GLU A 111 -10.309 11.082 -6.942 1.00 0.00 C ATOM 1316 CD GLU A 111 -10.058 11.238 -5.453 1.00 0.00 C ATOM 1317 OE1 GLU A 111 -9.561 12.309 -5.043 1.00 0.00 O ATOM 1318 OE2 GLU A 111 -10.356 10.291 -4.696 1.00 0.00 O ATOM 0 H GLU A 111 -7.872 10.154 -5.616 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.418 8.581 -7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.267 11.381 -7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.277 10.726 -8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.682 12.025 -7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.091 10.338 -7.097 1.00 0.00 H new ATOM 1325 N CYS A 112 -6.632 9.506 -8.839 1.00 0.00 N ATOM 1326 CA CYS A 112 -5.715 9.136 -9.917 1.00 0.00 C ATOM 1327 C CYS A 112 -5.069 7.771 -9.674 1.00 0.00 C ATOM 1328 O CYS A 112 -4.909 6.983 -10.607 1.00 0.00 O ATOM 1329 CB CYS A 112 -4.633 10.204 -10.086 1.00 0.00 C ATOM 1330 SG CYS A 112 -5.256 11.810 -10.641 1.00 0.00 S ATOM 0 H CYS A 112 -6.397 10.380 -8.369 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.302 9.068 -10.833 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -4.117 10.336 -9.135 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.894 9.846 -10.803 1.00 0.00 H new ATOM 0 HG CYS A 112 -4.266 12.645 -10.751 1.00 0.00 H new ATOM 1336 N PHE A 113 -4.708 7.488 -8.419 1.00 0.00 N ATOM 1337 CA PHE A 113 -4.075 6.218 -8.071 1.00 0.00 C ATOM 1338 C PHE A 113 -5.020 5.040 -8.317 1.00 0.00 C ATOM 1339 O PHE A 113 -4.619 4.026 -8.891 1.00 0.00 O ATOM 1340 CB PHE A 113 -3.623 6.229 -6.610 1.00 0.00 C ATOM 1341 CG PHE A 113 -2.761 5.058 -6.247 1.00 0.00 C ATOM 1342 CD1 PHE A 113 -1.403 5.081 -6.508 1.00 0.00 C ATOM 1343 CD2 PHE A 113 -3.308 3.935 -5.654 1.00 0.00 C ATOM 1344 CE1 PHE A 113 -0.604 4.003 -6.182 1.00 0.00 C ATOM 1345 CE2 PHE A 113 -2.516 2.855 -5.325 1.00 0.00 C ATOM 1346 CZ PHE A 113 -1.161 2.890 -5.590 1.00 0.00 C ATOM 0 H PHE A 113 -4.844 8.121 -7.631 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.203 6.095 -8.713 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.074 7.150 -6.414 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.502 6.238 -5.965 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.963 5.951 -6.972 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.367 3.903 -5.446 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.455 4.032 -6.391 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -2.954 1.984 -4.861 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.538 2.046 -5.333 1.00 0.00 H new ATOM 1356 N LEU A 114 -6.275 5.178 -7.876 1.00 0.00 N ATOM 1357 CA LEU A 114 -7.276 4.127 -8.059 1.00 0.00 C ATOM 1358 C LEU A 114 -7.548 3.880 -9.545 1.00 0.00 C ATOM 1359 O LEU A 114 -7.964 2.787 -9.930 1.00 0.00 O ATOM 1360 CB LEU A 114 -8.576 4.483 -7.331 1.00 0.00 C ATOM 1361 CG LEU A 114 -8.541 4.311 -5.809 1.00 0.00 C ATOM 1362 CD1 LEU A 114 -9.841 4.796 -5.188 1.00 0.00 C ATOM 1363 CD2 LEU A 114 -8.282 2.856 -5.441 1.00 0.00 C ATOM 0 H LEU A 114 -6.619 6.007 -7.391 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.878 3.208 -7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.828 5.519 -7.558 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.379 3.864 -7.732 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.725 4.915 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -9.798 4.666 -4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -9.984 5.851 -5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -10.674 4.219 -5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -8.261 2.753 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -9.076 2.231 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.324 2.541 -5.854 1.00 0.00 H new ATOM 1375 N GLU A 115 -7.329 4.903 -10.374 1.00 0.00 N ATOM 1376 CA GLU A 115 -7.516 4.776 -11.820 1.00 0.00 C ATOM 1377 C GLU A 115 -6.359 3.991 -12.451 1.00 0.00 C ATOM 1378 O GLU A 115 -6.506 3.417 -13.531 1.00 0.00 O ATOM 1379 CB GLU A 115 -7.623 6.159 -12.472 1.00 0.00 C ATOM 1380 CG GLU A 115 -8.864 6.937 -12.060 1.00 0.00 C ATOM 1381 CD GLU A 115 -10.153 6.238 -12.448 1.00 0.00 C ATOM 1382 OE1 GLU A 115 -10.607 6.425 -13.597 1.00 0.00 O ATOM 1383 OE2 GLU A 115 -10.709 5.506 -11.603 1.00 0.00 O ATOM 0 H GLU A 115 -7.023 5.827 -10.069 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.444 4.231 -11.993 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.738 6.741 -12.215 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.623 6.041 -13.556 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.850 7.090 -10.981 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.838 7.924 -12.522 1.00 0.00 H new ATOM 1390 N LEU A 116 -5.211 3.968 -11.764 1.00 0.00 N ATOM 1391 CA LEU A 116 -4.026 3.254 -12.244 1.00 0.00 C ATOM 1392 C LEU A 116 -4.085 1.765 -11.893 1.00 0.00 C ATOM 1393 O LEU A 116 -3.643 0.921 -12.674 1.00 0.00 O ATOM 1394 CB LEU A 116 -2.758 3.872 -11.643 1.00 0.00 C ATOM 1395 CG LEU A 116 -2.472 5.315 -12.063 1.00 0.00 C ATOM 1396 CD1 LEU A 116 -1.266 5.859 -11.311 1.00 0.00 C ATOM 1397 CD2 LEU A 116 -2.247 5.403 -13.566 1.00 0.00 C ATOM 0 H LEU A 116 -5.079 4.439 -10.869 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.002 3.348 -13.330 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.836 3.836 -10.556 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.905 3.254 -11.922 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.340 5.924 -11.811 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.077 6.886 -11.622 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.464 5.835 -10.239 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.392 5.246 -11.532 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.045 6.438 -13.844 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.397 4.780 -13.844 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.138 5.054 -14.088 1.00 0.00 H new ATOM 1409 N ALA A 117 -4.634 1.448 -10.716 1.00 0.00 N ATOM 1410 CA ALA A 117 -4.743 0.060 -10.266 1.00 0.00 C ATOM 1411 C ALA A 117 -6.190 -0.432 -10.304 1.00 0.00 C ATOM 1412 O ALA A 117 -7.125 0.364 -10.243 1.00 0.00 O ATOM 1413 CB ALA A 117 -4.173 -0.094 -8.862 1.00 0.00 C ATOM 0 H ALA A 117 -5.009 2.133 -10.060 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.162 -0.554 -10.954 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.263 -1.133 -8.545 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.122 0.196 -8.862 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.725 0.545 -8.173 1.00 0.00 H new ATOM 1419 N PRO A 118 -6.384 -1.762 -10.420 1.00 0.00 N ATOM 1420 CA PRO A 118 -7.717 -2.382 -10.455 1.00 0.00 C ATOM 1421 C PRO A 118 -8.653 -1.898 -9.342 1.00 0.00 C ATOM 1422 O PRO A 118 -8.233 -1.236 -8.392 1.00 0.00 O ATOM 1423 CB PRO A 118 -7.421 -3.870 -10.271 1.00 0.00 C ATOM 1424 CG PRO A 118 -6.042 -4.059 -10.796 1.00 0.00 C ATOM 1425 CD PRO A 118 -5.309 -2.763 -10.562 1.00 0.00 C ATOM 0 HA PRO A 118 -8.237 -2.131 -11.380 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -7.486 -4.158 -9.222 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -8.138 -4.485 -10.815 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -5.543 -4.883 -10.286 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -6.062 -4.306 -11.857 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -4.689 -2.812 -9.667 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -4.648 -2.523 -11.395 1.00 0.00 H new ATOM 1433 N ASP A 119 -9.928 -2.263 -9.480 1.00 0.00 N ATOM 1434 CA ASP A 119 -10.971 -1.892 -8.521 1.00 0.00 C ATOM 1435 C ASP A 119 -10.758 -2.513 -7.134 1.00 0.00 C ATOM 1436 O ASP A 119 -11.265 -1.987 -6.141 1.00 0.00 O ATOM 1437 CB ASP A 119 -12.339 -2.330 -9.064 1.00 0.00 C ATOM 1438 CG ASP A 119 -13.474 -2.065 -8.088 1.00 0.00 C ATOM 1439 OD1 ASP A 119 -13.917 -0.902 -7.993 1.00 0.00 O ATOM 1440 OD2 ASP A 119 -13.917 -3.025 -7.421 1.00 0.00 O ATOM 0 H ASP A 119 -10.268 -2.825 -10.261 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.925 -0.810 -8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.539 -1.804 -9.998 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.308 -3.394 -9.297 1.00 0.00 H new ATOM 1445 N PHE A 120 -10.012 -3.620 -7.059 1.00 0.00 N ATOM 1446 CA PHE A 120 -9.806 -4.279 -5.768 1.00 0.00 C ATOM 1447 C PHE A 120 -8.384 -4.089 -5.238 1.00 0.00 C ATOM 1448 O PHE A 120 -8.196 -3.581 -4.131 1.00 0.00 O ATOM 1449 CB PHE A 120 -10.167 -5.764 -5.848 1.00 0.00 C ATOM 1450 CG PHE A 120 -11.552 -6.013 -6.379 1.00 0.00 C ATOM 1451 CD1 PHE A 120 -12.651 -5.965 -5.536 1.00 0.00 C ATOM 1452 CD2 PHE A 120 -11.752 -6.293 -7.721 1.00 0.00 C ATOM 1453 CE1 PHE A 120 -13.924 -6.190 -6.024 1.00 0.00 C ATOM 1454 CE2 PHE A 120 -13.023 -6.520 -8.214 1.00 0.00 C ATOM 1455 CZ PHE A 120 -14.109 -6.468 -7.364 1.00 0.00 C ATOM 0 H PHE A 120 -9.553 -4.067 -7.853 1.00 0.00 H new ATOM 0 HA PHE A 120 -10.477 -3.799 -5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -9.444 -6.272 -6.486 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.082 -6.205 -4.855 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.511 -5.750 -4.487 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -10.905 -6.334 -8.390 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -14.773 -6.148 -5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.166 -6.738 -9.262 1.00 0.00 H new ATOM 0 HZ PHE A 120 -15.103 -6.645 -7.747 1.00 0.00 H new ATOM 1465 N VAL A 121 -7.387 -4.499 -6.026 1.00 0.00 N ATOM 1466 CA VAL A 121 -5.983 -4.378 -5.620 1.00 0.00 C ATOM 1467 C VAL A 121 -5.589 -2.917 -5.368 1.00 0.00 C ATOM 1468 O VAL A 121 -4.758 -2.635 -4.502 1.00 0.00 O ATOM 1469 CB VAL A 121 -5.025 -4.987 -6.668 1.00 0.00 C ATOM 1470 CG1 VAL A 121 -5.462 -6.394 -7.054 1.00 0.00 C ATOM 1471 CG2 VAL A 121 -4.932 -4.102 -7.895 1.00 0.00 C ATOM 0 H VAL A 121 -7.524 -4.917 -6.946 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.888 -4.938 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.034 -5.051 -6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.771 -6.800 -7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.462 -7.031 -6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.466 -6.360 -7.477 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.252 -4.552 -8.618 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.920 -3.997 -8.343 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.557 -3.120 -7.607 1.00 0.00 H new ATOM 1481 N GLY A 122 -6.188 -1.996 -6.133 1.00 0.00 N ATOM 1482 CA GLY A 122 -5.895 -0.577 -5.980 1.00 0.00 C ATOM 1483 C GLY A 122 -6.107 -0.070 -4.561 1.00 0.00 C ATOM 1484 O GLY A 122 -5.394 0.828 -4.109 1.00 0.00 O ATOM 0 H GLY A 122 -6.873 -2.212 -6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -4.862 -0.392 -6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -6.527 -0.007 -6.661 1.00 0.00 H new ATOM 1488 N ASP A 123 -7.088 -0.646 -3.859 1.00 0.00 N ATOM 1489 CA ASP A 123 -7.392 -0.247 -2.484 1.00 0.00 C ATOM 1490 C ASP A 123 -6.216 -0.528 -1.548 1.00 0.00 C ATOM 1491 O ASP A 123 -5.819 0.338 -0.772 1.00 0.00 O ATOM 1492 CB ASP A 123 -8.638 -0.980 -1.978 1.00 0.00 C ATOM 1493 CG ASP A 123 -9.070 -0.504 -0.603 1.00 0.00 C ATOM 1494 OD1 ASP A 123 -9.869 0.454 -0.530 1.00 0.00 O ATOM 1495 OD2 ASP A 123 -8.608 -1.086 0.401 1.00 0.00 O ATOM 0 H ASP A 123 -7.684 -1.390 -4.222 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.580 0.827 -2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -9.455 -0.832 -2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -8.437 -2.051 -1.942 1.00 0.00 H new ATOM 1500 N ILE A 124 -5.670 -1.744 -1.625 1.00 0.00 N ATOM 1501 CA ILE A 124 -4.543 -2.143 -0.778 1.00 0.00 C ATOM 1502 C ILE A 124 -3.375 -1.169 -0.906 1.00 0.00 C ATOM 1503 O ILE A 124 -2.888 -0.638 0.093 1.00 0.00 O ATOM 1504 CB ILE A 124 -4.040 -3.559 -1.134 1.00 0.00 C ATOM 1505 CG1 ILE A 124 -5.172 -4.580 -1.013 1.00 0.00 C ATOM 1506 CG2 ILE A 124 -2.874 -3.952 -0.237 1.00 0.00 C ATOM 1507 CD1 ILE A 124 -4.785 -5.956 -1.498 1.00 0.00 C ATOM 0 H ILE A 124 -5.990 -2.470 -2.266 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.913 -2.136 0.247 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.695 -3.549 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -5.485 -4.644 0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.032 -4.229 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -2.532 -4.953 -0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -2.057 -3.243 -0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -3.197 -3.943 0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -5.632 -6.633 -1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.499 -5.904 -2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -3.944 -6.326 -0.911 1.00 0.00 H new ATOM 1519 N LEU A 125 -2.930 -0.948 -2.143 1.00 0.00 N ATOM 1520 CA LEU A 125 -1.816 -0.042 -2.411 1.00 0.00 C ATOM 1521 C LEU A 125 -2.068 1.340 -1.809 1.00 0.00 C ATOM 1522 O LEU A 125 -1.297 1.793 -0.967 1.00 0.00 O ATOM 1523 CB LEU A 125 -1.561 0.075 -3.916 1.00 0.00 C ATOM 1524 CG LEU A 125 -0.685 -1.023 -4.527 1.00 0.00 C ATOM 1525 CD1 LEU A 125 -1.256 -2.402 -4.233 1.00 0.00 C ATOM 1526 CD2 LEU A 125 -0.546 -0.811 -6.027 1.00 0.00 C ATOM 0 H LEU A 125 -3.325 -1.385 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 125 -0.929 -0.462 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.522 0.076 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -1.093 1.040 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 125 0.304 -0.965 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.615 -3.163 -4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.305 -2.553 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.258 -2.479 -4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.079 -1.598 -6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.532 -0.842 -6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.086 0.159 -6.216 1.00 0.00 H new ATOM 1538 N TRP A 126 -3.148 2.002 -2.230 1.00 0.00 N ATOM 1539 CA TRP A 126 -3.484 3.331 -1.709 1.00 0.00 C ATOM 1540 C TRP A 126 -3.674 3.298 -0.187 1.00 0.00 C ATOM 1541 O TRP A 126 -3.400 4.292 0.489 1.00 0.00 O ATOM 1542 CB TRP A 126 -4.733 3.896 -2.402 1.00 0.00 C ATOM 1543 CG TRP A 126 -5.528 4.829 -1.535 1.00 0.00 C ATOM 1544 CD1 TRP A 126 -5.366 6.178 -1.415 1.00 0.00 C ATOM 1545 CD2 TRP A 126 -6.597 4.473 -0.651 1.00 0.00 C ATOM 1546 NE1 TRP A 126 -6.271 6.684 -0.514 1.00 0.00 N ATOM 1547 CE2 TRP A 126 -7.038 5.656 -0.031 1.00 0.00 C ATOM 1548 CE3 TRP A 126 -7.224 3.267 -0.327 1.00 0.00 C ATOM 1549 CZ2 TRP A 126 -8.079 5.668 0.896 1.00 0.00 C ATOM 1550 CZ3 TRP A 126 -8.255 3.279 0.593 1.00 0.00 C ATOM 1551 CH2 TRP A 126 -8.673 4.472 1.195 1.00 0.00 C ATOM 0 H TRP A 126 -3.802 1.643 -2.926 1.00 0.00 H new ATOM 0 HA TRP A 126 -2.647 3.993 -1.929 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -4.430 4.423 -3.307 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -5.371 3.069 -2.713 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -4.633 6.763 -1.950 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -6.358 7.665 -0.248 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -6.909 2.342 -0.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -8.405 6.587 1.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -8.746 2.353 0.852 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -9.482 4.448 1.911 1.00 0.00 H new ATOM 1562 N GLU A 127 -4.137 2.171 0.350 1.00 0.00 N ATOM 1563 CA GLU A 127 -4.332 2.042 1.793 1.00 0.00 C ATOM 1564 C GLU A 127 -3.009 2.269 2.530 1.00 0.00 C ATOM 1565 O GLU A 127 -2.905 3.163 3.370 1.00 0.00 O ATOM 1566 CB GLU A 127 -4.902 0.661 2.135 1.00 0.00 C ATOM 1567 CG GLU A 127 -5.366 0.528 3.577 1.00 0.00 C ATOM 1568 CD GLU A 127 -5.977 -0.831 3.866 1.00 0.00 C ATOM 1569 OE1 GLU A 127 -7.184 -1.008 3.593 1.00 0.00 O ATOM 1570 OE2 GLU A 127 -5.251 -1.716 4.363 1.00 0.00 O ATOM 0 H GLU A 127 -4.383 1.340 -0.187 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.046 2.800 2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.741 0.451 1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.142 -0.095 1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.520 0.692 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -6.098 1.306 3.793 1.00 0.00 H new ATOM 1577 N HIS A 128 -2.000 1.462 2.195 1.00 0.00 N ATOM 1578 CA HIS A 128 -0.680 1.574 2.817 1.00 0.00 C ATOM 1579 C HIS A 128 0.068 2.805 2.299 1.00 0.00 C ATOM 1580 O HIS A 128 0.748 3.488 3.063 1.00 0.00 O ATOM 1581 CB HIS A 128 0.140 0.308 2.546 1.00 0.00 C ATOM 1582 CG HIS A 128 1.478 0.285 3.228 1.00 0.00 C ATOM 1583 ND1 HIS A 128 1.988 1.060 4.217 1.00 0.00 N flip ATOM 1584 CD2 HIS A 128 2.469 -0.617 2.905 1.00 0.00 C flip ATOM 1585 CE1 HIS A 128 3.262 0.615 4.469 1.00 0.00 C flip ATOM 1586 NE2 HIS A 128 3.528 -0.398 3.664 1.00 0.00 N flip ATOM 0 H HIS A 128 -2.073 0.723 1.496 1.00 0.00 H new ATOM 0 HA HIS A 128 -0.819 1.687 3.892 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.435 -0.560 2.869 1.00 0.00 H new ATOM 0 HB3 HIS A 128 0.291 0.209 1.471 1.00 0.00 H new ATOM 0 HD2 HIS A 128 2.392 -1.384 2.149 1.00 0.00 H new ATOM 0 HE1 HIS A 128 3.937 1.026 5.205 1.00 0.00 H new ATOM 0 HE2 HIS A 128 4.403 -0.922 3.634 1.00 0.00 H new ATOM 1595 N LEU A 129 -0.062 3.076 0.998 1.00 0.00 N ATOM 1596 CA LEU A 129 0.598 4.225 0.375 1.00 0.00 C ATOM 1597 C LEU A 129 0.254 5.520 1.108 1.00 0.00 C ATOM 1598 O LEU A 129 1.138 6.328 1.396 1.00 0.00 O ATOM 1599 CB LEU A 129 0.192 4.342 -1.098 1.00 0.00 C ATOM 1600 CG LEU A 129 0.911 5.439 -1.889 1.00 0.00 C ATOM 1601 CD1 LEU A 129 2.403 5.150 -1.980 1.00 0.00 C ATOM 1602 CD2 LEU A 129 0.307 5.576 -3.278 1.00 0.00 C ATOM 0 H LEU A 129 -0.620 2.514 0.355 1.00 0.00 H new ATOM 0 HA LEU A 129 1.674 4.065 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.376 3.385 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.881 4.524 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 129 0.780 6.383 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 129 2.893 5.942 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.827 5.105 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.559 4.195 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 129 0.830 6.360 -3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.406 4.631 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.748 5.835 -3.192 1.00 0.00 H new ATOM 1614 N GLU A 130 -1.033 5.710 1.409 1.00 0.00 N ATOM 1615 CA GLU A 130 -1.480 6.909 2.112 1.00 0.00 C ATOM 1616 C GLU A 130 -0.981 6.890 3.559 1.00 0.00 C ATOM 1617 O GLU A 130 -0.655 7.934 4.126 1.00 0.00 O ATOM 1618 CB GLU A 130 -3.006 7.022 2.067 1.00 0.00 C ATOM 1619 CG GLU A 130 -3.534 8.380 2.505 1.00 0.00 C ATOM 1620 CD GLU A 130 -5.046 8.471 2.429 1.00 0.00 C ATOM 1621 OE1 GLU A 130 -5.716 8.050 3.395 1.00 0.00 O ATOM 1622 OE2 GLU A 130 -5.560 8.964 1.402 1.00 0.00 O ATOM 0 H GLU A 130 -1.777 5.052 1.178 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.061 7.782 1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.346 6.821 1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -3.437 6.251 2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.213 8.578 3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.095 9.156 1.878 1.00 0.00 H new ATOM 1629 N ILE A 131 -0.929 5.688 4.146 1.00 0.00 N ATOM 1630 CA ILE A 131 -0.444 5.513 5.513 1.00 0.00 C ATOM 1631 C ILE A 131 1.022 5.937 5.619 1.00 0.00 C ATOM 1632 O ILE A 131 1.412 6.603 6.578 1.00 0.00 O ATOM 1633 CB ILE A 131 -0.599 4.045 5.980 1.00 0.00 C ATOM 1634 CG1 ILE A 131 -2.075 3.717 6.218 1.00 0.00 C ATOM 1635 CG2 ILE A 131 0.215 3.787 7.241 1.00 0.00 C ATOM 1636 CD1 ILE A 131 -2.347 2.239 6.397 1.00 0.00 C ATOM 0 H ILE A 131 -1.219 4.822 3.691 1.00 0.00 H new ATOM 0 HA ILE A 131 -1.049 6.146 6.162 1.00 0.00 H new ATOM 0 HB ILE A 131 -0.219 3.394 5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.419 4.251 7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -2.661 4.086 5.376 1.00 0.00 H new ATOM 0 HG21 ILE A 131 0.090 2.749 7.549 1.00 0.00 H new ATOM 0 HG22 ILE A 131 1.269 3.981 7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -0.130 4.446 8.038 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.413 2.083 6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -2.035 1.701 5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -1.789 1.868 7.257 1.00 0.00 H new ATOM 1648 N LEU A 132 1.826 5.541 4.625 1.00 0.00 N ATOM 1649 CA LEU A 132 3.247 5.895 4.583 1.00 0.00 C ATOM 1650 C LEU A 132 3.435 7.402 4.745 1.00 0.00 C ATOM 1651 O LEU A 132 4.362 7.854 5.419 1.00 0.00 O ATOM 1652 CB LEU A 132 3.868 5.437 3.259 1.00 0.00 C ATOM 1653 CG LEU A 132 4.041 3.923 3.107 1.00 0.00 C ATOM 1654 CD1 LEU A 132 4.371 3.565 1.666 1.00 0.00 C ATOM 1655 CD2 LEU A 132 5.127 3.415 4.044 1.00 0.00 C ATOM 0 H LEU A 132 1.514 4.973 3.837 1.00 0.00 H new ATOM 0 HA LEU A 132 3.747 5.390 5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.246 5.799 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 132 4.844 5.910 3.151 1.00 0.00 H new ATOM 0 HG LEU A 132 3.101 3.441 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 132 4.490 2.485 1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.562 3.895 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 132 5.298 4.058 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 132 5.237 2.337 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.071 3.905 3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 132 4.852 3.638 5.075 1.00 0.00 H new ATOM 1667 N GLN A 133 2.545 8.172 4.112 1.00 0.00 N ATOM 1668 CA GLN A 133 2.585 9.630 4.181 1.00 0.00 C ATOM 1669 C GLN A 133 2.428 10.110 5.623 1.00 0.00 C ATOM 1670 O GLN A 133 3.169 10.981 6.080 1.00 0.00 O ATOM 1671 CB GLN A 133 1.476 10.233 3.311 1.00 0.00 C ATOM 1672 CG GLN A 133 1.490 9.741 1.871 1.00 0.00 C ATOM 1673 CD GLN A 133 0.273 10.190 1.085 1.00 0.00 C ATOM 1674 OE1 GLN A 133 -0.293 11.254 1.342 1.00 0.00 O ATOM 1675 NE2 GLN A 133 -0.138 9.379 0.116 1.00 0.00 N ATOM 0 H GLN A 133 1.783 7.803 3.542 1.00 0.00 H new ATOM 0 HA GLN A 133 3.554 9.960 3.807 1.00 0.00 H new ATOM 0 HB2 GLN A 133 0.509 9.998 3.756 1.00 0.00 H new ATOM 0 HB3 GLN A 133 1.573 11.319 3.315 1.00 0.00 H new ATOM 0 HG2 GLN A 133 2.391 10.104 1.376 1.00 0.00 H new ATOM 0 HG3 GLN A 133 1.540 8.652 1.864 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.359 8.507 -0.064 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -0.951 9.629 -0.448 1.00 0.00 H new