USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 430 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 34 CYS SG : rot 141:sc= -4.13! USER MOD Set 1.2: A 37 CYS SG : rot -64:sc= -1.03! USER MOD Set 1.3: A 39 GLN : amide:sc= 0 K(o=-5.4,f=-6.2) USER MOD Set 1.4: A 58 CYS SG : rot -125:sc= 0.832 USER MOD Set 1.5: A 61 CYS SG : rot 150:sc= -1.05 USER MOD Set 2.1: A 47 TYR OH : rot 0:sc= 0.0255 USER MOD Set 2.2: A 59 GLN : amide:sc= 0.463 X(o=0.49,f=0) USER MOD Set 3.1: A 49 CYS SG : rot -155:sc= -2.66 USER MOD Set 3.2: A 52 CYS SG : rot 135:sc= 0.628 USER MOD Set 3.3: A 55 TYR OH : rot 180:sc= 0.637 USER MOD Set 3.4: A 67 HIS : no HE2:sc= -10.8! C(o=-13!,f=-17!) USER MOD Set 3.5: A 70 HIS : no HD1:sc= -0.591 X(o=-13,f=-12) USER MOD Set 4.1: A 35 ASN : amide:sc= 0.378 K(o=-6.4,f=-11!) USER MOD Set 4.2: A 56 HIS : no HD1:sc= -6.74! C(o=-6.4!,f=-7.8!) USER MOD Single : A 36 ASN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -132:sc= -0.19 (180deg=-0.904) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -61:sc= -0.218 USER MOD Single : A 64 SER OG : rot 81:sc= 0.731 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= -0.001 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0997 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.12) USER MOD Single : A 80 GLN : amide:sc= -3.15 K(o=-3.2,f=-9.1!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 426 N LEU A 30 5.260 11.075 9.033 1.00 0.00 N ATOM 427 CA LEU A 30 6.385 10.147 9.049 1.00 0.00 C ATOM 428 C LEU A 30 5.910 8.720 9.306 1.00 0.00 C ATOM 429 O LEU A 30 6.376 7.776 8.670 1.00 0.00 O ATOM 430 CB LEU A 30 7.398 10.560 10.118 1.00 0.00 C ATOM 431 CG LEU A 30 8.266 11.774 9.787 1.00 0.00 C ATOM 432 CD1 LEU A 30 9.115 12.166 10.986 1.00 0.00 C ATOM 433 CD2 LEU A 30 9.146 11.487 8.579 1.00 0.00 C ATOM 0 HA LEU A 30 6.865 10.180 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.857 10.766 11.042 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.054 9.712 10.315 1.00 0.00 H new ATOM 0 HG LEU A 30 7.610 12.610 9.543 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.726 13.032 10.732 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.466 12.414 11.826 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.762 11.333 11.261 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.757 12.362 8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.794 10.637 8.794 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.518 11.256 7.718 1.00 0.00 H new ATOM 445 N GLY A 31 4.977 8.571 10.241 1.00 0.00 N ATOM 446 CA GLY A 31 4.453 7.257 10.564 1.00 0.00 C ATOM 447 C GLY A 31 5.483 6.161 10.380 1.00 0.00 C ATOM 448 O GLY A 31 6.405 6.024 11.185 1.00 0.00 O ATOM 0 H GLY A 31 4.575 9.337 10.781 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.103 7.253 11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.589 7.049 9.933 1.00 0.00 H new ATOM 452 N ILE A 32 5.327 5.377 9.319 1.00 0.00 N ATOM 453 CA ILE A 32 6.251 4.287 9.033 1.00 0.00 C ATOM 454 C ILE A 32 6.496 4.152 7.533 1.00 0.00 C ATOM 455 O ILE A 32 5.579 4.256 6.718 1.00 0.00 O ATOM 456 CB ILE A 32 5.726 2.945 9.578 1.00 0.00 C ATOM 457 CG1 ILE A 32 5.372 3.076 11.061 1.00 0.00 C ATOM 458 CG2 ILE A 32 6.759 1.848 9.369 1.00 0.00 C ATOM 459 CD1 ILE A 32 4.273 2.137 11.505 1.00 0.00 C ATOM 0 H ILE A 32 4.569 5.476 8.643 1.00 0.00 H new ATOM 0 HA ILE A 32 7.189 4.531 9.532 1.00 0.00 H new ATOM 0 HB ILE A 32 4.823 2.675 9.031 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.264 2.886 11.657 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.066 4.102 11.264 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.373 0.906 9.759 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.967 1.742 8.304 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.678 2.109 9.894 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.075 2.285 12.567 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.367 2.342 10.935 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.584 1.106 11.334 1.00 0.00 H new ATOM 471 N PRO A 33 7.762 3.914 7.159 1.00 0.00 N ATOM 472 CA PRO A 33 8.156 3.758 5.756 1.00 0.00 C ATOM 473 C PRO A 33 7.629 2.464 5.147 1.00 0.00 C ATOM 474 O PRO A 33 7.173 1.570 5.860 1.00 0.00 O ATOM 475 CB PRO A 33 9.686 3.736 5.818 1.00 0.00 C ATOM 476 CG PRO A 33 10.002 3.255 7.192 1.00 0.00 C ATOM 477 CD PRO A 33 8.905 3.779 8.077 1.00 0.00 C ATOM 0 HA PRO A 33 7.752 4.552 5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.103 3.073 5.060 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.104 4.727 5.639 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.043 2.166 7.224 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.975 3.621 7.519 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.685 3.092 8.894 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.174 4.734 8.527 1.00 0.00 H new ATOM 485 N CYS A 34 7.695 2.369 3.823 1.00 0.00 N ATOM 486 CA CYS A 34 7.225 1.183 3.116 1.00 0.00 C ATOM 487 C CYS A 34 8.261 0.065 3.181 1.00 0.00 C ATOM 488 O CYS A 34 9.458 0.320 3.304 1.00 0.00 O ATOM 489 CB CYS A 34 6.915 1.523 1.657 1.00 0.00 C ATOM 490 SG CYS A 34 5.904 0.272 0.801 1.00 0.00 S ATOM 0 H CYS A 34 8.070 3.100 3.218 1.00 0.00 H new ATOM 0 HA CYS A 34 6.313 0.838 3.603 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.396 2.481 1.621 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.853 1.648 1.117 1.00 0.00 H new ATOM 0 HG CYS A 34 5.047 0.865 0.023 1.00 0.00 H new ATOM 495 N ASN A 35 7.791 -1.175 3.096 1.00 0.00 N ATOM 496 CA ASN A 35 8.676 -2.333 3.145 1.00 0.00 C ATOM 497 C ASN A 35 9.011 -2.822 1.739 1.00 0.00 C ATOM 498 O ASN A 35 10.076 -3.391 1.506 1.00 0.00 O ATOM 499 CB ASN A 35 8.029 -3.463 3.948 1.00 0.00 C ATOM 500 CG ASN A 35 8.390 -3.406 5.420 1.00 0.00 C ATOM 501 OD1 ASN A 35 7.697 -2.773 6.217 1.00 0.00 O ATOM 502 ND2 ASN A 35 9.480 -4.070 5.787 1.00 0.00 N ATOM 0 H ASN A 35 6.802 -1.404 2.993 1.00 0.00 H new ATOM 0 HA ASN A 35 9.601 -2.030 3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.946 -3.408 3.840 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.342 -4.423 3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.773 -4.069 6.764 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.024 -4.581 5.092 1.00 0.00 H new ATOM 509 N ASN A 36 8.093 -2.594 0.805 1.00 0.00 N ATOM 510 CA ASN A 36 8.290 -3.010 -0.579 1.00 0.00 C ATOM 511 C ASN A 36 9.117 -1.981 -1.344 1.00 0.00 C ATOM 512 O ASN A 36 10.300 -2.192 -1.609 1.00 0.00 O ATOM 513 CB ASN A 36 6.941 -3.214 -1.270 1.00 0.00 C ATOM 514 CG ASN A 36 7.061 -4.019 -2.549 1.00 0.00 C ATOM 515 OD1 ASN A 36 6.878 -5.236 -2.549 1.00 0.00 O ATOM 516 ND2 ASN A 36 7.372 -3.341 -3.648 1.00 0.00 N ATOM 0 H ASN A 36 7.205 -2.123 0.981 1.00 0.00 H new ATOM 0 HA ASN A 36 8.833 -3.955 -0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.260 -3.722 -0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.501 -2.243 -1.496 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.468 -3.829 -4.538 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.515 -2.332 -3.602 1.00 0.00 H new ATOM 523 N CYS A 37 8.484 -0.867 -1.696 1.00 0.00 N ATOM 524 CA CYS A 37 9.159 0.196 -2.431 1.00 0.00 C ATOM 525 C CYS A 37 10.139 0.943 -1.530 1.00 0.00 C ATOM 526 O CYS A 37 11.144 1.479 -1.997 1.00 0.00 O ATOM 527 CB CYS A 37 8.135 1.175 -3.009 1.00 0.00 C ATOM 528 SG CYS A 37 7.427 2.321 -1.784 1.00 0.00 S ATOM 0 H CYS A 37 7.505 -0.677 -1.484 1.00 0.00 H new ATOM 0 HA CYS A 37 9.718 -0.260 -3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.609 1.755 -3.801 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.326 0.608 -3.470 1.00 0.00 H new ATOM 0 HG CYS A 37 6.755 1.648 -0.898 1.00 0.00 H new ATOM 533 N LYS A 38 9.840 0.972 -0.236 1.00 0.00 N ATOM 534 CA LYS A 38 10.693 1.650 0.732 1.00 0.00 C ATOM 535 C LYS A 38 10.632 3.163 0.546 1.00 0.00 C ATOM 536 O LYS A 38 11.653 3.847 0.616 1.00 0.00 O ATOM 537 CB LYS A 38 12.139 1.167 0.594 1.00 0.00 C ATOM 538 CG LYS A 38 12.280 -0.345 0.621 1.00 0.00 C ATOM 539 CD LYS A 38 12.236 -0.885 2.040 1.00 0.00 C ATOM 540 CE LYS A 38 13.617 -0.890 2.678 1.00 0.00 C ATOM 541 NZ LYS A 38 13.544 -1.053 4.156 1.00 0.00 N ATOM 0 H LYS A 38 9.012 0.533 0.167 1.00 0.00 H new ATOM 0 HA LYS A 38 10.329 1.409 1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.552 1.545 -0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.734 1.594 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.480 -0.796 0.034 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.221 -0.632 0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.559 -0.278 2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.834 -1.898 2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.211 -1.699 2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.130 0.042 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.505 -1.051 4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.999 -0.268 4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.077 -1.954 4.383 1.00 0.00 H new ATOM 555 N GLN A 39 9.429 3.677 0.311 1.00 0.00 N ATOM 556 CA GLN A 39 9.236 5.110 0.116 1.00 0.00 C ATOM 557 C GLN A 39 9.148 5.834 1.455 1.00 0.00 C ATOM 558 O GLN A 39 8.278 5.540 2.276 1.00 0.00 O ATOM 559 CB GLN A 39 7.970 5.368 -0.702 1.00 0.00 C ATOM 560 CG GLN A 39 7.775 6.829 -1.076 1.00 0.00 C ATOM 561 CD GLN A 39 6.611 7.038 -2.024 1.00 0.00 C ATOM 562 OE1 GLN A 39 5.761 6.161 -2.186 1.00 0.00 O ATOM 563 NE2 GLN A 39 6.566 8.204 -2.658 1.00 0.00 N ATOM 0 H GLN A 39 8.574 3.124 0.251 1.00 0.00 H new ATOM 0 HA GLN A 39 10.097 5.497 -0.429 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.008 4.770 -1.613 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.104 5.028 -0.133 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.611 7.413 -0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.687 7.207 -1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.291 8.902 -2.494 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.806 8.401 -3.309 1.00 0.00 H new ATOM 572 N PHE A 40 10.053 6.783 1.670 1.00 0.00 N ATOM 573 CA PHE A 40 10.078 7.549 2.911 1.00 0.00 C ATOM 574 C PHE A 40 10.556 8.976 2.659 1.00 0.00 C ATOM 575 O PHE A 40 11.634 9.209 2.113 1.00 0.00 O ATOM 576 CB PHE A 40 10.987 6.868 3.937 1.00 0.00 C ATOM 577 CG PHE A 40 10.533 7.056 5.356 1.00 0.00 C ATOM 578 CD1 PHE A 40 9.204 6.877 5.702 1.00 0.00 C ATOM 579 CD2 PHE A 40 11.437 7.411 6.345 1.00 0.00 C ATOM 580 CE1 PHE A 40 8.783 7.048 7.008 1.00 0.00 C ATOM 581 CE2 PHE A 40 11.022 7.583 7.652 1.00 0.00 C ATOM 582 CZ PHE A 40 9.694 7.403 7.984 1.00 0.00 C ATOM 0 H PHE A 40 10.779 7.040 1.001 1.00 0.00 H new ATOM 0 HA PHE A 40 9.063 7.589 3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.035 5.801 3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 40 11.998 7.261 3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.488 6.600 4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.477 7.555 6.091 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.744 6.904 7.265 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.737 7.858 8.414 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.368 7.539 9.005 1.00 0.00 H new ATOM 592 N PRO A 41 9.734 9.955 3.066 1.00 0.00 N ATOM 593 CA PRO A 41 8.447 9.689 3.716 1.00 0.00 C ATOM 594 C PRO A 41 7.423 9.094 2.755 1.00 0.00 C ATOM 595 O PRO A 41 7.633 9.080 1.541 1.00 0.00 O ATOM 596 CB PRO A 41 7.996 11.073 4.189 1.00 0.00 C ATOM 597 CG PRO A 41 8.677 12.028 3.271 1.00 0.00 C ATOM 598 CD PRO A 41 9.996 11.396 2.921 1.00 0.00 C ATOM 0 HA PRO A 41 8.540 8.958 4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.912 11.176 4.135 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.281 11.249 5.226 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.079 12.204 2.377 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.823 12.995 3.752 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.305 11.648 1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.791 11.729 3.589 1.00 0.00 H new ATOM 606 N ILE A 42 6.317 8.606 3.304 1.00 0.00 N ATOM 607 CA ILE A 42 5.260 8.012 2.494 1.00 0.00 C ATOM 608 C ILE A 42 4.180 9.036 2.163 1.00 0.00 C ATOM 609 O ILE A 42 3.752 9.802 3.026 1.00 0.00 O ATOM 610 CB ILE A 42 4.612 6.811 3.207 1.00 0.00 C ATOM 611 CG1 ILE A 42 5.590 5.636 3.266 1.00 0.00 C ATOM 612 CG2 ILE A 42 3.329 6.404 2.498 1.00 0.00 C ATOM 613 CD1 ILE A 42 5.000 4.388 3.885 1.00 0.00 C ATOM 0 H ILE A 42 6.129 8.610 4.306 1.00 0.00 H new ATOM 0 HA ILE A 42 5.726 7.668 1.571 1.00 0.00 H new ATOM 0 HB ILE A 42 4.364 7.104 4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.929 5.405 2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.469 5.934 3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.882 5.554 3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.629 7.240 2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.555 6.126 1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.750 3.597 3.894 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.686 4.602 4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.138 4.065 3.301 1.00 0.00 H new ATOM 625 N GLU A 43 3.742 9.043 0.908 1.00 0.00 N ATOM 626 CA GLU A 43 2.711 9.972 0.464 1.00 0.00 C ATOM 627 C GLU A 43 1.325 9.343 0.579 1.00 0.00 C ATOM 628 O GLU A 43 0.395 9.955 1.104 1.00 0.00 O ATOM 629 CB GLU A 43 2.969 10.403 -0.982 1.00 0.00 C ATOM 630 CG GLU A 43 4.220 11.248 -1.151 1.00 0.00 C ATOM 631 CD GLU A 43 3.991 12.705 -0.798 1.00 0.00 C ATOM 632 OE1 GLU A 43 2.851 13.185 -0.966 1.00 0.00 O ATOM 633 OE2 GLU A 43 4.954 13.365 -0.353 1.00 0.00 O ATOM 0 H GLU A 43 4.086 8.415 0.181 1.00 0.00 H new ATOM 0 HA GLU A 43 2.747 10.850 1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.054 9.514 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.109 10.966 -1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.014 10.846 -0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.565 11.178 -2.183 1.00 0.00 H new ATOM 640 N GLY A 44 1.195 8.116 0.083 1.00 0.00 N ATOM 641 CA GLY A 44 -0.079 7.424 0.140 1.00 0.00 C ATOM 642 C GLY A 44 -0.482 7.065 1.556 1.00 0.00 C ATOM 643 O GLY A 44 0.255 7.331 2.506 1.00 0.00 O ATOM 0 H GLY A 44 1.949 7.589 -0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.850 8.052 -0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.022 6.515 -0.460 1.00 0.00 H new ATOM 647 N LYS A 45 -1.655 6.459 1.700 1.00 0.00 N ATOM 648 CA LYS A 45 -2.156 6.062 3.010 1.00 0.00 C ATOM 649 C LYS A 45 -1.114 5.245 3.767 1.00 0.00 C ATOM 650 O LYS A 45 0.016 5.084 3.305 1.00 0.00 O ATOM 651 CB LYS A 45 -3.446 5.251 2.862 1.00 0.00 C ATOM 652 CG LYS A 45 -4.691 6.109 2.723 1.00 0.00 C ATOM 653 CD LYS A 45 -5.344 6.367 4.071 1.00 0.00 C ATOM 654 CE LYS A 45 -6.212 7.616 4.040 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.425 8.829 3.685 1.00 0.00 N ATOM 0 H LYS A 45 -2.277 6.232 0.924 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.366 6.967 3.580 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.361 4.605 1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.558 4.601 3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.429 7.059 2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.403 5.615 2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.952 5.507 4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.574 6.477 4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.017 7.481 3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.679 7.758 5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.643 9.593 4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.409 8.609 3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.672 9.133 2.722 1.00 0.00 H new ATOM 669 N CYS A 46 -1.501 4.732 4.930 1.00 0.00 N ATOM 670 CA CYS A 46 -0.599 3.931 5.750 1.00 0.00 C ATOM 671 C CYS A 46 -1.122 2.506 5.899 1.00 0.00 C ATOM 672 O CYS A 46 -2.109 2.266 6.595 1.00 0.00 O ATOM 673 CB CYS A 46 -0.426 4.571 7.128 1.00 0.00 C ATOM 674 SG CYS A 46 0.951 5.738 7.232 1.00 0.00 S ATOM 0 H CYS A 46 -2.433 4.856 5.326 1.00 0.00 H new ATOM 0 HA CYS A 46 0.370 3.893 5.251 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.348 5.088 7.395 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.277 3.783 7.867 1.00 0.00 H new ATOM 0 HG CYS A 46 1.015 6.228 8.434 1.00 0.00 H new ATOM 680 N TYR A 47 -0.455 1.565 5.241 1.00 0.00 N ATOM 681 CA TYR A 47 -0.854 0.164 5.297 1.00 0.00 C ATOM 682 C TYR A 47 0.146 -0.656 6.106 1.00 0.00 C ATOM 683 O TYR A 47 1.348 -0.391 6.083 1.00 0.00 O ATOM 684 CB TYR A 47 -0.976 -0.410 3.884 1.00 0.00 C ATOM 685 CG TYR A 47 -2.170 0.113 3.119 1.00 0.00 C ATOM 686 CD1 TYR A 47 -2.132 1.353 2.495 1.00 0.00 C ATOM 687 CD2 TYR A 47 -3.337 -0.635 3.019 1.00 0.00 C ATOM 688 CE1 TYR A 47 -3.222 1.835 1.796 1.00 0.00 C ATOM 689 CE2 TYR A 47 -4.431 -0.162 2.320 1.00 0.00 C ATOM 690 CZ TYR A 47 -4.369 1.074 1.711 1.00 0.00 C ATOM 691 OH TYR A 47 -5.455 1.550 1.014 1.00 0.00 O ATOM 0 H TYR A 47 0.365 1.747 4.662 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.825 0.109 5.790 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.068 -0.178 3.327 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.043 -1.496 3.947 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.235 1.951 2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.390 -1.603 3.496 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.176 2.803 1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.330 -0.757 2.251 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.245 2.433 0.645 1.00 0.00 H new ATOM 701 N LYS A 48 -0.360 -1.654 6.823 1.00 0.00 N ATOM 702 CA LYS A 48 0.487 -2.516 7.640 1.00 0.00 C ATOM 703 C LYS A 48 -0.107 -3.917 7.748 1.00 0.00 C ATOM 704 O LYS A 48 -1.292 -4.079 8.038 1.00 0.00 O ATOM 705 CB LYS A 48 0.663 -1.916 9.037 1.00 0.00 C ATOM 706 CG LYS A 48 -0.515 -2.172 9.962 1.00 0.00 C ATOM 707 CD LYS A 48 -0.370 -1.415 11.271 1.00 0.00 C ATOM 708 CE LYS A 48 0.420 -2.217 12.294 1.00 0.00 C ATOM 709 NZ LYS A 48 0.960 -1.353 13.380 1.00 0.00 N ATOM 0 H LYS A 48 -1.353 -1.886 6.855 1.00 0.00 H new ATOM 0 HA LYS A 48 1.462 -2.590 7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.565 -2.328 9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.815 -0.841 8.945 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.439 -1.872 9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.594 -3.240 10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.129 -0.463 11.089 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.358 -1.185 11.671 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.221 -2.985 12.726 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.242 -2.731 11.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.492 -1.937 14.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.592 -0.635 12.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.174 -0.882 13.872 1.00 0.00 H new ATOM 723 N CYS A 49 0.725 -4.926 7.513 1.00 0.00 N ATOM 724 CA CYS A 49 0.284 -6.314 7.585 1.00 0.00 C ATOM 725 C CYS A 49 0.077 -6.744 9.034 1.00 0.00 C ATOM 726 O CYS A 49 0.953 -6.561 9.880 1.00 0.00 O ATOM 727 CB CYS A 49 1.306 -7.231 6.910 1.00 0.00 C ATOM 728 SG CYS A 49 0.701 -8.923 6.609 1.00 0.00 S ATOM 0 H CYS A 49 1.709 -4.808 7.271 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.668 -6.395 7.061 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.604 -6.788 5.959 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.200 -7.281 7.532 1.00 0.00 H new ATOM 0 HG CYS A 49 1.710 -9.741 6.553 1.00 0.00 H new ATOM 733 N THR A 50 -1.089 -7.319 9.314 1.00 0.00 N ATOM 734 CA THR A 50 -1.413 -7.775 10.660 1.00 0.00 C ATOM 735 C THR A 50 -0.979 -9.221 10.870 1.00 0.00 C ATOM 736 O THR A 50 -1.215 -9.802 11.928 1.00 0.00 O ATOM 737 CB THR A 50 -2.923 -7.658 10.944 1.00 0.00 C ATOM 738 OG1 THR A 50 -3.644 -8.621 10.167 1.00 0.00 O ATOM 739 CG2 THR A 50 -3.427 -6.259 10.624 1.00 0.00 C ATOM 0 H THR A 50 -1.825 -7.480 8.626 1.00 0.00 H new ATOM 0 HA THR A 50 -0.869 -7.131 11.351 1.00 0.00 H new ATOM 0 HB THR A 50 -3.087 -7.852 12.004 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.490 -8.454 9.214 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.495 -6.201 10.832 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.897 -5.532 11.239 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.250 -6.041 9.571 1.00 0.00 H new ATOM 747 N GLU A 51 -0.341 -9.796 9.854 1.00 0.00 N ATOM 748 CA GLU A 51 0.126 -11.175 9.929 1.00 0.00 C ATOM 749 C GLU A 51 1.651 -11.233 9.932 1.00 0.00 C ATOM 750 O GLU A 51 2.249 -12.127 10.533 1.00 0.00 O ATOM 751 CB GLU A 51 -0.424 -11.988 8.756 1.00 0.00 C ATOM 752 CG GLU A 51 -1.942 -12.025 8.699 1.00 0.00 C ATOM 753 CD GLU A 51 -2.471 -13.310 8.093 1.00 0.00 C ATOM 754 OE1 GLU A 51 -2.593 -14.309 8.834 1.00 0.00 O ATOM 755 OE2 GLU A 51 -2.764 -13.318 6.879 1.00 0.00 O ATOM 0 H GLU A 51 -0.136 -9.328 8.971 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.239 -11.605 10.862 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.044 -11.568 7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.046 -13.008 8.823 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.343 -11.911 9.706 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.301 -11.177 8.115 1.00 0.00 H new ATOM 762 N CYS A 52 2.275 -10.274 9.256 1.00 0.00 N ATOM 763 CA CYS A 52 3.730 -10.215 9.179 1.00 0.00 C ATOM 764 C CYS A 52 4.304 -9.407 10.339 1.00 0.00 C ATOM 765 O CYS A 52 3.574 -8.985 11.236 1.00 0.00 O ATOM 766 CB CYS A 52 4.166 -9.599 7.848 1.00 0.00 C ATOM 767 SG CYS A 52 4.073 -10.743 6.433 1.00 0.00 S ATOM 0 H CYS A 52 1.796 -9.527 8.754 1.00 0.00 H new ATOM 0 HA CYS A 52 4.114 -11.233 9.244 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.542 -8.730 7.640 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.191 -9.240 7.944 1.00 0.00 H new ATOM 0 HG CYS A 52 3.514 -10.142 5.425 1.00 0.00 H new ATOM 772 N ILE A 53 5.615 -9.195 10.313 1.00 0.00 N ATOM 773 CA ILE A 53 6.287 -8.436 11.360 1.00 0.00 C ATOM 774 C ILE A 53 6.885 -7.147 10.808 1.00 0.00 C ATOM 775 O ILE A 53 7.517 -7.147 9.752 1.00 0.00 O ATOM 776 CB ILE A 53 7.403 -9.262 12.027 1.00 0.00 C ATOM 777 CG1 ILE A 53 6.832 -10.559 12.604 1.00 0.00 C ATOM 778 CG2 ILE A 53 8.087 -8.448 13.115 1.00 0.00 C ATOM 779 CD1 ILE A 53 5.782 -10.335 13.670 1.00 0.00 C ATOM 0 H ILE A 53 6.233 -9.538 9.578 1.00 0.00 H new ATOM 0 HA ILE A 53 5.531 -8.192 12.106 1.00 0.00 H new ATOM 0 HB ILE A 53 8.146 -9.518 11.271 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.398 -11.147 11.795 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.646 -11.149 13.025 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.873 -9.046 13.577 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.523 -7.550 12.678 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.355 -8.164 13.871 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.422 -11.297 14.034 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.217 -9.774 14.497 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.950 -9.772 13.248 1.00 0.00 H new ATOM 791 N GLU A 54 6.683 -6.049 11.531 1.00 0.00 N ATOM 792 CA GLU A 54 7.204 -4.753 11.113 1.00 0.00 C ATOM 793 C GLU A 54 7.004 -4.544 9.614 1.00 0.00 C ATOM 794 O GLU A 54 7.900 -4.064 8.919 1.00 0.00 O ATOM 795 CB GLU A 54 8.690 -4.640 11.461 1.00 0.00 C ATOM 796 CG GLU A 54 9.570 -5.617 10.700 1.00 0.00 C ATOM 797 CD GLU A 54 11.049 -5.343 10.893 1.00 0.00 C ATOM 798 OE1 GLU A 54 11.468 -5.143 12.052 1.00 0.00 O ATOM 799 OE2 GLU A 54 11.787 -5.328 9.885 1.00 0.00 O ATOM 0 H GLU A 54 6.163 -6.032 12.408 1.00 0.00 H new ATOM 0 HA GLU A 54 6.653 -3.979 11.647 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.027 -3.624 11.254 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.818 -4.807 12.531 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.347 -6.632 11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.330 -5.565 9.638 1.00 0.00 H new ATOM 806 N TYR A 55 5.824 -4.908 9.125 1.00 0.00 N ATOM 807 CA TYR A 55 5.507 -4.763 7.709 1.00 0.00 C ATOM 808 C TYR A 55 4.555 -3.593 7.481 1.00 0.00 C ATOM 809 O TYR A 55 3.511 -3.492 8.127 1.00 0.00 O ATOM 810 CB TYR A 55 4.886 -6.053 7.170 1.00 0.00 C ATOM 811 CG TYR A 55 5.162 -6.291 5.703 1.00 0.00 C ATOM 812 CD1 TYR A 55 4.371 -5.704 4.723 1.00 0.00 C ATOM 813 CD2 TYR A 55 6.214 -7.102 5.296 1.00 0.00 C ATOM 814 CE1 TYR A 55 4.619 -5.919 3.381 1.00 0.00 C ATOM 815 CE2 TYR A 55 6.471 -7.321 3.956 1.00 0.00 C ATOM 816 CZ TYR A 55 5.670 -6.728 3.003 1.00 0.00 C ATOM 817 OH TYR A 55 5.922 -6.943 1.667 1.00 0.00 O ATOM 0 H TYR A 55 5.072 -5.305 9.688 1.00 0.00 H new ATOM 0 HA TYR A 55 6.435 -4.562 7.173 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.267 -6.897 7.744 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.808 -6.021 7.328 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.548 -5.069 5.015 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.842 -7.570 6.040 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.993 -5.456 2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.294 -7.953 3.657 1.00 0.00 H new ATOM 0 HH TYR A 55 6.697 -7.535 1.571 1.00 0.00 H new ATOM 827 N HIS A 56 4.922 -2.712 6.557 1.00 0.00 N ATOM 828 CA HIS A 56 4.101 -1.548 6.241 1.00 0.00 C ATOM 829 C HIS A 56 4.208 -1.193 4.761 1.00 0.00 C ATOM 830 O HIS A 56 5.307 -1.066 4.220 1.00 0.00 O ATOM 831 CB HIS A 56 4.522 -0.353 7.096 1.00 0.00 C ATOM 832 CG HIS A 56 4.842 -0.714 8.514 1.00 0.00 C ATOM 833 ND1 HIS A 56 6.029 -1.306 8.891 1.00 0.00 N ATOM 834 CD2 HIS A 56 4.122 -0.562 9.650 1.00 0.00 C ATOM 835 CE1 HIS A 56 6.024 -1.504 10.197 1.00 0.00 C ATOM 836 NE2 HIS A 56 4.878 -1.060 10.682 1.00 0.00 N ATOM 0 H HIS A 56 5.782 -2.781 6.014 1.00 0.00 H new ATOM 0 HA HIS A 56 3.063 -1.796 6.463 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.395 0.117 6.644 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.722 0.387 7.090 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.136 -0.129 9.730 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.821 -1.953 10.771 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.600 -1.083 11.663 1.00 0.00 H new ATOM 844 N LEU A 57 3.060 -1.036 4.111 1.00 0.00 N ATOM 845 CA LEU A 57 3.025 -0.696 2.692 1.00 0.00 C ATOM 846 C LEU A 57 2.367 0.663 2.474 1.00 0.00 C ATOM 847 O LEU A 57 1.743 1.215 3.381 1.00 0.00 O ATOM 848 CB LEU A 57 2.271 -1.772 1.909 1.00 0.00 C ATOM 849 CG LEU A 57 3.105 -2.961 1.430 1.00 0.00 C ATOM 850 CD1 LEU A 57 2.223 -3.984 0.731 1.00 0.00 C ATOM 851 CD2 LEU A 57 4.220 -2.494 0.506 1.00 0.00 C ATOM 0 H LEU A 57 2.142 -1.138 4.543 1.00 0.00 H new ATOM 0 HA LEU A 57 4.052 -0.644 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.463 -2.149 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.809 -1.304 1.040 1.00 0.00 H new ATOM 0 HG LEU A 57 3.558 -3.436 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.833 -4.823 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.462 -4.342 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.741 -3.521 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.803 -3.354 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.789 -1.993 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.869 -1.800 1.040 1.00 0.00 H new ATOM 863 N CYS A 58 2.508 1.196 1.265 1.00 0.00 N ATOM 864 CA CYS A 58 1.926 2.489 0.926 1.00 0.00 C ATOM 865 C CYS A 58 0.793 2.327 -0.083 1.00 0.00 C ATOM 866 O CYS A 58 0.865 1.491 -0.983 1.00 0.00 O ATOM 867 CB CYS A 58 2.999 3.421 0.360 1.00 0.00 C ATOM 868 SG CYS A 58 3.786 2.810 -1.165 1.00 0.00 S ATOM 0 H CYS A 58 3.021 0.752 0.503 1.00 0.00 H new ATOM 0 HA CYS A 58 1.518 2.927 1.837 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.551 4.394 0.160 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.768 3.574 1.117 1.00 0.00 H new ATOM 0 HG CYS A 58 5.076 2.776 -1.004 1.00 0.00 H new ATOM 873 N GLN A 59 -0.252 3.134 0.075 1.00 0.00 N ATOM 874 CA GLN A 59 -1.400 3.080 -0.822 1.00 0.00 C ATOM 875 C GLN A 59 -0.967 2.727 -2.241 1.00 0.00 C ATOM 876 O GLN A 59 -1.634 1.955 -2.930 1.00 0.00 O ATOM 877 CB GLN A 59 -2.139 4.420 -0.821 1.00 0.00 C ATOM 878 CG GLN A 59 -3.204 4.529 -1.900 1.00 0.00 C ATOM 879 CD GLN A 59 -4.426 3.684 -1.600 1.00 0.00 C ATOM 880 OE1 GLN A 59 -5.353 4.130 -0.923 1.00 0.00 O ATOM 881 NE2 GLN A 59 -4.436 2.456 -2.105 1.00 0.00 N ATOM 0 H GLN A 59 -0.327 3.832 0.815 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.073 2.301 -0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.605 4.568 0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.416 5.224 -0.954 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.504 5.572 -2.005 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.780 4.222 -2.856 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.647 2.127 -2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.233 1.842 -1.937 1.00 0.00 H new ATOM 890 N GLU A 60 0.155 3.297 -2.671 1.00 0.00 N ATOM 891 CA GLU A 60 0.675 3.042 -4.009 1.00 0.00 C ATOM 892 C GLU A 60 0.954 1.555 -4.211 1.00 0.00 C ATOM 893 O GLU A 60 0.398 0.924 -5.110 1.00 0.00 O ATOM 894 CB GLU A 60 1.955 3.848 -4.245 1.00 0.00 C ATOM 895 CG GLU A 60 2.169 4.239 -5.697 1.00 0.00 C ATOM 896 CD GLU A 60 0.880 4.634 -6.392 1.00 0.00 C ATOM 897 OE1 GLU A 60 0.092 5.395 -5.792 1.00 0.00 O ATOM 898 OE2 GLU A 60 0.660 4.182 -7.535 1.00 0.00 O ATOM 0 H GLU A 60 0.720 3.937 -2.113 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.081 3.353 -4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.923 4.751 -3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.810 3.264 -3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.873 5.070 -5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.624 3.405 -6.231 1.00 0.00 H new ATOM 905 N CYS A 61 1.820 1.002 -3.368 1.00 0.00 N ATOM 906 CA CYS A 61 2.174 -0.410 -3.452 1.00 0.00 C ATOM 907 C CYS A 61 0.936 -1.291 -3.315 1.00 0.00 C ATOM 908 O CYS A 61 0.784 -2.282 -4.029 1.00 0.00 O ATOM 909 CB CYS A 61 3.191 -0.767 -2.366 1.00 0.00 C ATOM 910 SG CYS A 61 4.919 -0.413 -2.820 1.00 0.00 S ATOM 0 H CYS A 61 2.290 1.510 -2.619 1.00 0.00 H new ATOM 0 HA CYS A 61 2.619 -0.590 -4.431 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.945 -0.216 -1.458 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.098 -1.827 -2.131 1.00 0.00 H new ATOM 0 HG CYS A 61 5.597 -0.116 -1.751 1.00 0.00 H new ATOM 915 N PHE A 62 0.053 -0.922 -2.392 1.00 0.00 N ATOM 916 CA PHE A 62 -1.172 -1.678 -2.161 1.00 0.00 C ATOM 917 C PHE A 62 -1.904 -1.943 -3.473 1.00 0.00 C ATOM 918 O PHE A 62 -2.354 -3.059 -3.731 1.00 0.00 O ATOM 919 CB PHE A 62 -2.088 -0.923 -1.195 1.00 0.00 C ATOM 920 CG PHE A 62 -3.147 -1.788 -0.574 1.00 0.00 C ATOM 921 CD1 PHE A 62 -2.821 -2.707 0.410 1.00 0.00 C ATOM 922 CD2 PHE A 62 -4.469 -1.681 -0.975 1.00 0.00 C ATOM 923 CE1 PHE A 62 -3.794 -3.504 0.984 1.00 0.00 C ATOM 924 CE2 PHE A 62 -5.446 -2.475 -0.404 1.00 0.00 C ATOM 925 CZ PHE A 62 -5.108 -3.388 0.575 1.00 0.00 C ATOM 0 H PHE A 62 0.163 -0.104 -1.792 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.900 -2.636 -1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.483 -0.480 -0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.567 -0.102 -1.728 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.795 -2.802 0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.739 -0.970 -1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.527 -4.216 1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.473 -2.381 -0.724 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.870 -4.011 1.020 1.00 0.00 H new ATOM 935 N ASP A 63 -2.021 -0.907 -4.297 1.00 0.00 N ATOM 936 CA ASP A 63 -2.698 -1.026 -5.583 1.00 0.00 C ATOM 937 C ASP A 63 -2.142 -2.199 -6.384 1.00 0.00 C ATOM 938 O ASP A 63 -2.816 -2.742 -7.259 1.00 0.00 O ATOM 939 CB ASP A 63 -2.551 0.269 -6.383 1.00 0.00 C ATOM 940 CG ASP A 63 -3.070 0.136 -7.801 1.00 0.00 C ATOM 941 OD1 ASP A 63 -2.563 -0.735 -8.538 1.00 0.00 O ATOM 942 OD2 ASP A 63 -3.983 0.903 -8.174 1.00 0.00 O ATOM 0 H ASP A 63 -1.656 0.024 -4.097 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.756 -1.208 -5.393 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.090 1.069 -5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.501 0.559 -6.409 1.00 0.00 H new ATOM 947 N SER A 64 -0.906 -2.584 -6.079 1.00 0.00 N ATOM 948 CA SER A 64 -0.257 -3.690 -6.774 1.00 0.00 C ATOM 949 C SER A 64 -1.033 -4.988 -6.574 1.00 0.00 C ATOM 950 O SER A 64 -1.053 -5.853 -7.450 1.00 0.00 O ATOM 951 CB SER A 64 1.180 -3.859 -6.276 1.00 0.00 C ATOM 952 OG SER A 64 1.918 -2.659 -6.431 1.00 0.00 O ATOM 0 H SER A 64 -0.335 -2.147 -5.356 1.00 0.00 H new ATOM 0 HA SER A 64 -0.240 -3.458 -7.839 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.172 -4.152 -5.226 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.667 -4.663 -6.828 1.00 0.00 H new ATOM 0 HG SER A 64 1.712 -2.050 -5.691 1.00 0.00 H new ATOM 958 N TYR A 65 -1.670 -5.116 -5.415 1.00 0.00 N ATOM 959 CA TYR A 65 -2.445 -6.309 -5.098 1.00 0.00 C ATOM 960 C TYR A 65 -1.547 -7.541 -5.029 1.00 0.00 C ATOM 961 O TYR A 65 -1.826 -8.562 -5.658 1.00 0.00 O ATOM 962 CB TYR A 65 -3.543 -6.523 -6.142 1.00 0.00 C ATOM 963 CG TYR A 65 -4.841 -5.825 -5.807 1.00 0.00 C ATOM 964 CD1 TYR A 65 -4.861 -4.477 -5.467 1.00 0.00 C ATOM 965 CD2 TYR A 65 -6.049 -6.512 -5.828 1.00 0.00 C ATOM 966 CE1 TYR A 65 -6.045 -3.835 -5.159 1.00 0.00 C ATOM 967 CE2 TYR A 65 -7.237 -5.878 -5.524 1.00 0.00 C ATOM 968 CZ TYR A 65 -7.230 -4.540 -5.190 1.00 0.00 C ATOM 969 OH TYR A 65 -8.412 -3.905 -4.884 1.00 0.00 O ATOM 0 H TYR A 65 -1.665 -4.409 -4.680 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.905 -6.162 -4.121 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.188 -6.167 -7.109 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.731 -7.592 -6.245 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.935 -3.922 -5.443 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.058 -7.561 -6.087 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.043 -2.788 -4.896 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.167 -6.427 -5.548 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.153 -4.542 -4.954 1.00 0.00 H new ATOM 979 N CYS A 66 -0.470 -7.436 -4.259 1.00 0.00 N ATOM 980 CA CYS A 66 0.471 -8.540 -4.107 1.00 0.00 C ATOM 981 C CYS A 66 0.439 -9.089 -2.684 1.00 0.00 C ATOM 982 O CYS A 66 0.211 -10.280 -2.472 1.00 0.00 O ATOM 983 CB CYS A 66 1.888 -8.083 -4.459 1.00 0.00 C ATOM 984 SG CYS A 66 2.079 -7.522 -6.167 1.00 0.00 S ATOM 0 H CYS A 66 -0.227 -6.598 -3.730 1.00 0.00 H new ATOM 0 HA CYS A 66 0.174 -9.335 -4.791 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.175 -7.273 -3.788 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.579 -8.906 -4.279 1.00 0.00 H new ATOM 0 HG CYS A 66 3.310 -7.154 -6.368 1.00 0.00 H new ATOM 990 N HIS A 67 0.671 -8.213 -1.712 1.00 0.00 N ATOM 991 CA HIS A 67 0.670 -8.609 -0.309 1.00 0.00 C ATOM 992 C HIS A 67 -0.750 -8.637 0.247 1.00 0.00 C ATOM 993 O HIS A 67 -0.994 -9.171 1.330 1.00 0.00 O ATOM 994 CB HIS A 67 1.534 -7.653 0.514 1.00 0.00 C ATOM 995 CG HIS A 67 2.174 -8.298 1.705 1.00 0.00 C ATOM 996 ND1 HIS A 67 3.515 -8.172 1.999 1.00 0.00 N ATOM 997 CD2 HIS A 67 1.648 -9.077 2.679 1.00 0.00 C ATOM 998 CE1 HIS A 67 3.787 -8.847 3.102 1.00 0.00 C ATOM 999 NE2 HIS A 67 2.671 -9.405 3.535 1.00 0.00 N ATOM 0 H HIS A 67 0.862 -7.224 -1.871 1.00 0.00 H new ATOM 0 HA HIS A 67 1.088 -9.614 -0.241 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.312 -7.238 -0.126 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.919 -6.818 0.850 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.192 -7.641 1.451 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.616 -9.384 2.767 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.757 -8.929 3.570 1.00 0.00 H new ATOM 1007 N LEU A 68 -1.683 -8.057 -0.499 1.00 0.00 N ATOM 1008 CA LEU A 68 -3.080 -8.014 -0.081 1.00 0.00 C ATOM 1009 C LEU A 68 -3.515 -9.353 0.506 1.00 0.00 C ATOM 1010 O LEU A 68 -4.338 -9.404 1.419 1.00 0.00 O ATOM 1011 CB LEU A 68 -3.977 -7.649 -1.265 1.00 0.00 C ATOM 1012 CG LEU A 68 -4.298 -6.163 -1.431 1.00 0.00 C ATOM 1013 CD1 LEU A 68 -3.054 -5.391 -1.844 1.00 0.00 C ATOM 1014 CD2 LEU A 68 -5.412 -5.968 -2.449 1.00 0.00 C ATOM 0 H LEU A 68 -1.498 -7.610 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.178 -7.250 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.499 -8.001 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.916 -8.194 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.639 -5.775 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.302 -4.336 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.285 -5.503 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.682 -5.780 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.627 -4.905 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.100 -6.372 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.309 -6.488 -2.111 1.00 0.00 H new ATOM 1026 N SER A 69 -2.953 -10.435 -0.023 1.00 0.00 N ATOM 1027 CA SER A 69 -3.283 -11.776 0.447 1.00 0.00 C ATOM 1028 C SER A 69 -3.463 -11.791 1.962 1.00 0.00 C ATOM 1029 O SER A 69 -4.407 -12.388 2.481 1.00 0.00 O ATOM 1030 CB SER A 69 -2.189 -12.765 0.042 1.00 0.00 C ATOM 1031 OG SER A 69 -2.011 -12.781 -1.364 1.00 0.00 O ATOM 0 H SER A 69 -2.267 -10.410 -0.777 1.00 0.00 H new ATOM 0 HA SER A 69 -4.223 -12.076 -0.016 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.251 -12.494 0.527 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.451 -13.764 0.390 1.00 0.00 H new ATOM 0 HG SER A 69 -1.305 -13.420 -1.597 1.00 0.00 H new ATOM 1037 N HIS A 70 -2.550 -11.130 2.667 1.00 0.00 N ATOM 1038 CA HIS A 70 -2.607 -11.066 4.123 1.00 0.00 C ATOM 1039 C HIS A 70 -3.553 -9.961 4.582 1.00 0.00 C ATOM 1040 O HIS A 70 -3.897 -9.063 3.811 1.00 0.00 O ATOM 1041 CB HIS A 70 -1.210 -10.829 4.699 1.00 0.00 C ATOM 1042 CG HIS A 70 -0.404 -12.083 4.848 1.00 0.00 C ATOM 1043 ND1 HIS A 70 0.948 -12.080 5.123 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -0.766 -13.384 4.760 1.00 0.00 C ATOM 1045 CE1 HIS A 70 1.382 -13.325 5.196 1.00 0.00 C ATOM 1046 NE2 HIS A 70 0.362 -14.136 4.981 1.00 0.00 N ATOM 0 H HIS A 70 -1.762 -10.631 2.254 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.986 -12.020 4.489 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.672 -10.136 4.053 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.304 -10.349 5.673 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.757 -13.761 4.554 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.399 -13.629 5.397 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.405 -15.155 4.979 1.00 0.00 H new ATOM 1054 N THR A 71 -3.972 -10.031 5.841 1.00 0.00 N ATOM 1055 CA THR A 71 -4.879 -9.039 6.402 1.00 0.00 C ATOM 1056 C THR A 71 -4.151 -7.733 6.698 1.00 0.00 C ATOM 1057 O THR A 71 -3.353 -7.653 7.632 1.00 0.00 O ATOM 1058 CB THR A 71 -5.540 -9.549 7.697 1.00 0.00 C ATOM 1059 OG1 THR A 71 -6.021 -10.885 7.508 1.00 0.00 O ATOM 1060 CG2 THR A 71 -6.690 -8.644 8.111 1.00 0.00 C ATOM 0 H THR A 71 -3.697 -10.766 6.492 1.00 0.00 H new ATOM 0 HA THR A 71 -5.652 -8.860 5.654 1.00 0.00 H new ATOM 0 HB THR A 71 -4.791 -9.542 8.488 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.438 -11.203 8.336 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.141 -9.025 9.028 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.315 -7.635 8.283 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.439 -8.623 7.320 1.00 0.00 H new ATOM 1068 N PHE A 72 -4.431 -6.710 5.897 1.00 0.00 N ATOM 1069 CA PHE A 72 -3.802 -5.406 6.072 1.00 0.00 C ATOM 1070 C PHE A 72 -4.788 -4.402 6.664 1.00 0.00 C ATOM 1071 O PHE A 72 -6.002 -4.599 6.608 1.00 0.00 O ATOM 1072 CB PHE A 72 -3.270 -4.888 4.735 1.00 0.00 C ATOM 1073 CG PHE A 72 -1.897 -5.394 4.399 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -1.601 -6.745 4.486 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -0.900 -4.519 3.998 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -0.338 -7.215 4.178 1.00 0.00 C ATOM 1077 CE2 PHE A 72 0.364 -4.982 3.688 1.00 0.00 C ATOM 1078 CZ PHE A 72 0.646 -6.331 3.779 1.00 0.00 C ATOM 0 H PHE A 72 -5.090 -6.759 5.120 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.969 -5.523 6.765 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.959 -5.178 3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.251 -3.798 4.758 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.367 -7.440 4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.114 -3.463 3.927 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.121 -8.271 4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.131 -4.290 3.375 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.634 -6.694 3.539 1.00 0.00 H new ATOM 1088 N THR A 73 -4.256 -3.324 7.232 1.00 0.00 N ATOM 1089 CA THR A 73 -5.086 -2.290 7.835 1.00 0.00 C ATOM 1090 C THR A 73 -4.598 -0.898 7.449 1.00 0.00 C ATOM 1091 O THR A 73 -3.423 -0.572 7.619 1.00 0.00 O ATOM 1092 CB THR A 73 -5.103 -2.408 9.371 1.00 0.00 C ATOM 1093 OG1 THR A 73 -3.768 -2.567 9.865 1.00 0.00 O ATOM 1094 CG2 THR A 73 -5.957 -3.587 9.813 1.00 0.00 C ATOM 0 H THR A 73 -3.253 -3.145 7.287 1.00 0.00 H new ATOM 0 HA THR A 73 -6.097 -2.436 7.455 1.00 0.00 H new ATOM 0 HB THR A 73 -5.534 -1.494 9.779 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.787 -2.640 10.842 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.954 -3.651 10.901 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.979 -3.448 9.460 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.550 -4.508 9.395 1.00 0.00 H new ATOM 1102 N PHE A 74 -5.507 -0.080 6.930 1.00 0.00 N ATOM 1103 CA PHE A 74 -5.169 1.278 6.520 1.00 0.00 C ATOM 1104 C PHE A 74 -5.704 2.298 7.521 1.00 0.00 C ATOM 1105 O PHE A 74 -6.778 2.116 8.094 1.00 0.00 O ATOM 1106 CB PHE A 74 -5.733 1.568 5.128 1.00 0.00 C ATOM 1107 CG PHE A 74 -7.186 1.949 5.137 1.00 0.00 C ATOM 1108 CD1 PHE A 74 -7.567 3.276 5.259 1.00 0.00 C ATOM 1109 CD2 PHE A 74 -8.171 0.981 5.024 1.00 0.00 C ATOM 1110 CE1 PHE A 74 -8.903 3.629 5.269 1.00 0.00 C ATOM 1111 CE2 PHE A 74 -9.509 1.328 5.033 1.00 0.00 C ATOM 1112 CZ PHE A 74 -9.875 2.654 5.155 1.00 0.00 C ATOM 0 H PHE A 74 -6.484 -0.334 6.783 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.083 1.362 6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.157 2.373 4.672 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.601 0.687 4.500 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.811 4.043 5.347 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.890 -0.057 4.928 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.187 4.666 5.366 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.267 0.564 4.945 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.920 2.928 5.161 1.00 0.00 H new ATOM 1122 N ARG A 75 -4.946 3.370 7.726 1.00 0.00 N ATOM 1123 CA ARG A 75 -5.342 4.418 8.659 1.00 0.00 C ATOM 1124 C ARG A 75 -5.922 5.617 7.914 1.00 0.00 C ATOM 1125 O ARG A 75 -6.010 5.614 6.687 1.00 0.00 O ATOM 1126 CB ARG A 75 -4.144 4.859 9.502 1.00 0.00 C ATOM 1127 CG ARG A 75 -3.994 4.082 10.800 1.00 0.00 C ATOM 1128 CD ARG A 75 -3.421 4.952 11.907 1.00 0.00 C ATOM 1129 NE ARG A 75 -2.015 5.275 11.677 1.00 0.00 N ATOM 1130 CZ ARG A 75 -1.168 5.603 12.647 1.00 0.00 C ATOM 1131 NH1 ARG A 75 -1.583 5.651 13.906 1.00 0.00 N ATOM 1132 NH2 ARG A 75 0.096 5.884 12.358 1.00 0.00 N ATOM 0 H ARG A 75 -4.055 3.536 7.259 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.111 4.013 9.317 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.234 4.745 8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.243 5.920 9.733 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.965 3.693 11.107 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.344 3.223 10.638 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.998 5.874 11.979 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.523 4.437 12.862 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.664 5.247 10.720 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.554 5.436 14.131 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.931 5.903 14.649 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.418 5.848 11.391 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.746 6.136 13.103 1.00 0.00 H new ATOM 1146 N GLU A 76 -6.316 6.640 8.667 1.00 0.00 N ATOM 1147 CA GLU A 76 -6.890 7.844 8.077 1.00 0.00 C ATOM 1148 C GLU A 76 -6.249 9.097 8.669 1.00 0.00 C ATOM 1149 O GLU A 76 -5.539 9.031 9.672 1.00 0.00 O ATOM 1150 CB GLU A 76 -8.403 7.878 8.301 1.00 0.00 C ATOM 1151 CG GLU A 76 -9.179 6.981 7.351 1.00 0.00 C ATOM 1152 CD GLU A 76 -9.596 7.698 6.082 1.00 0.00 C ATOM 1153 OE1 GLU A 76 -8.848 8.590 5.630 1.00 0.00 O ATOM 1154 OE2 GLU A 76 -10.671 7.366 5.540 1.00 0.00 O ATOM 0 H GLU A 76 -6.248 6.659 9.685 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.690 7.824 7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.617 7.578 9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.756 8.903 8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.567 6.117 7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.066 6.602 7.858 1.00 0.00 H new ATOM 1161 N LYS A 77 -6.505 10.238 8.039 1.00 0.00 N ATOM 1162 CA LYS A 77 -5.955 11.507 8.501 1.00 0.00 C ATOM 1163 C LYS A 77 -6.167 11.678 10.002 1.00 0.00 C ATOM 1164 O LYS A 77 -6.974 10.974 10.608 1.00 0.00 O ATOM 1165 CB LYS A 77 -6.604 12.672 7.748 1.00 0.00 C ATOM 1166 CG LYS A 77 -8.120 12.687 7.842 1.00 0.00 C ATOM 1167 CD LYS A 77 -8.716 13.838 7.048 1.00 0.00 C ATOM 1168 CE LYS A 77 -10.204 13.636 6.806 1.00 0.00 C ATOM 1169 NZ LYS A 77 -11.001 13.843 8.046 1.00 0.00 N ATOM 0 H LYS A 77 -7.090 10.310 7.207 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.884 11.504 8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.214 13.611 8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.314 12.622 6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.518 11.743 7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.420 12.770 8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.557 14.773 7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.200 13.928 6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.544 14.329 6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.377 12.629 6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.010 13.696 7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.695 13.165 8.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.857 14.812 8.394 1.00 0.00 H new ATOM 1183 N ARG A 78 -5.437 12.617 10.594 1.00 0.00 N ATOM 1184 CA ARG A 78 -5.545 12.879 12.024 1.00 0.00 C ATOM 1185 C ARG A 78 -6.989 12.736 12.496 1.00 0.00 C ATOM 1186 O ARG A 78 -7.926 12.891 11.713 1.00 0.00 O ATOM 1187 CB ARG A 78 -5.029 14.282 12.348 1.00 0.00 C ATOM 1188 CG ARG A 78 -3.523 14.427 12.197 1.00 0.00 C ATOM 1189 CD ARG A 78 -2.793 13.986 13.456 1.00 0.00 C ATOM 1190 NE ARG A 78 -1.356 14.235 13.371 1.00 0.00 N ATOM 1191 CZ ARG A 78 -0.453 13.584 14.097 1.00 0.00 C ATOM 1192 NH1 ARG A 78 -0.837 12.651 14.956 1.00 0.00 N ATOM 1193 NH2 ARG A 78 0.836 13.867 13.963 1.00 0.00 N ATOM 0 H ARG A 78 -4.765 13.209 10.106 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.934 12.144 12.549 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.522 15.001 11.694 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.309 14.536 13.370 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.182 13.832 11.350 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.276 15.466 11.977 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.202 14.515 14.317 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.968 12.923 13.623 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.028 14.947 12.719 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.827 12.431 15.061 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.142 12.153 15.512 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.135 14.585 13.302 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.529 13.367 14.520 1.00 0.00 H new ATOM 1207 N ASN A 79 -7.161 12.440 13.780 1.00 0.00 N ATOM 1208 CA ASN A 79 -8.491 12.275 14.355 1.00 0.00 C ATOM 1209 C ASN A 79 -9.212 11.086 13.727 1.00 0.00 C ATOM 1210 O ASN A 79 -10.377 11.186 13.346 1.00 0.00 O ATOM 1211 CB ASN A 79 -9.316 13.548 14.158 1.00 0.00 C ATOM 1212 CG ASN A 79 -10.535 13.592 15.060 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -11.668 13.676 14.586 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -10.306 13.537 16.367 1.00 0.00 N ATOM 0 H ASN A 79 -6.396 12.309 14.442 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.377 12.085 15.422 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -8.690 14.418 14.355 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.634 13.614 13.118 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.087 13.564 17.023 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.350 13.468 16.715 1.00 0.00 H new ATOM 1221 N GLN A 80 -8.509 9.962 13.624 1.00 0.00 N ATOM 1222 CA GLN A 80 -9.083 8.754 13.042 1.00 0.00 C ATOM 1223 C GLN A 80 -8.462 7.505 13.659 1.00 0.00 C ATOM 1224 O GLN A 80 -7.641 7.593 14.573 1.00 0.00 O ATOM 1225 CB GLN A 80 -8.876 8.745 11.527 1.00 0.00 C ATOM 1226 CG GLN A 80 -9.424 9.980 10.830 1.00 0.00 C ATOM 1227 CD GLN A 80 -10.937 10.055 10.881 1.00 0.00 C ATOM 1228 OE1 GLN A 80 -11.561 9.606 11.844 1.00 0.00 O ATOM 1229 NE2 GLN A 80 -11.538 10.625 9.843 1.00 0.00 N ATOM 0 H GLN A 80 -7.543 9.863 13.935 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.152 8.750 13.256 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.810 8.661 11.315 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.355 7.860 11.109 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.004 10.872 11.295 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.099 9.980 9.790 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.983 10.984 9.066 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.555 10.704 9.823 1.00 0.00 H new ATOM 1238 N LYS A 81 -8.859 6.342 13.155 1.00 0.00 N ATOM 1239 CA LYS A 81 -8.342 5.074 13.655 1.00 0.00 C ATOM 1240 C LYS A 81 -8.247 4.044 12.533 1.00 0.00 C ATOM 1241 O LYS A 81 -8.959 4.135 11.533 1.00 0.00 O ATOM 1242 CB LYS A 81 -9.237 4.541 14.776 1.00 0.00 C ATOM 1243 CG LYS A 81 -9.321 5.465 15.978 1.00 0.00 C ATOM 1244 CD LYS A 81 -8.142 5.268 16.917 1.00 0.00 C ATOM 1245 CE LYS A 81 -8.204 6.225 18.098 1.00 0.00 C ATOM 1246 NZ LYS A 81 -7.107 5.972 19.074 1.00 0.00 N ATOM 0 H LYS A 81 -9.538 6.251 12.399 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.341 5.249 14.049 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.240 4.379 14.382 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.861 3.571 15.100 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.349 6.501 15.640 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.251 5.280 16.516 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.133 4.240 17.280 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.211 5.422 16.371 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.140 7.252 17.738 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.167 6.122 18.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.183 6.644 19.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.183 5.000 19.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.188 6.095 18.603 1.00 0.00 H new ATOM 1260 N TRP A 82 -7.366 3.067 12.707 1.00 0.00 N ATOM 1261 CA TRP A 82 -7.180 2.019 11.709 1.00 0.00 C ATOM 1262 C TRP A 82 -8.522 1.526 11.181 1.00 0.00 C ATOM 1263 O TRP A 82 -9.561 1.733 11.809 1.00 0.00 O ATOM 1264 CB TRP A 82 -6.392 0.852 12.306 1.00 0.00 C ATOM 1265 CG TRP A 82 -4.989 1.215 12.688 1.00 0.00 C ATOM 1266 CD1 TRP A 82 -4.551 1.607 13.921 1.00 0.00 C ATOM 1267 CD2 TRP A 82 -3.842 1.222 11.831 1.00 0.00 C ATOM 1268 NE1 TRP A 82 -3.200 1.858 13.881 1.00 0.00 N ATOM 1269 CE2 TRP A 82 -2.742 1.628 12.611 1.00 0.00 C ATOM 1270 CE3 TRP A 82 -3.637 0.923 10.482 1.00 0.00 C ATOM 1271 CZ2 TRP A 82 -1.458 1.742 12.084 1.00 0.00 C ATOM 1272 CZ3 TRP A 82 -2.363 1.037 9.960 1.00 0.00 C ATOM 1273 CH2 TRP A 82 -1.286 1.443 10.760 1.00 0.00 C ATOM 0 H TRP A 82 -6.769 2.978 13.529 1.00 0.00 H new ATOM 0 HA TRP A 82 -6.616 2.440 10.876 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.916 0.482 13.187 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.365 0.035 11.585 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -5.174 1.705 14.798 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -2.631 2.166 14.670 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -4.460 0.608 9.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.627 2.055 12.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -2.194 0.809 8.918 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.302 1.521 10.323 1.00 0.00 H new ATOM 1284 N ARG A 83 -8.494 0.872 10.025 1.00 0.00 N ATOM 1285 CA ARG A 83 -9.710 0.349 9.413 1.00 0.00 C ATOM 1286 C ARG A 83 -9.459 -1.018 8.785 1.00 0.00 C ATOM 1287 O ARG A 83 -8.538 -1.185 7.985 1.00 0.00 O ATOM 1288 CB ARG A 83 -10.231 1.321 8.352 1.00 0.00 C ATOM 1289 CG ARG A 83 -10.364 2.752 8.850 1.00 0.00 C ATOM 1290 CD ARG A 83 -11.476 3.493 8.124 1.00 0.00 C ATOM 1291 NE ARG A 83 -12.799 3.017 8.520 1.00 0.00 N ATOM 1292 CZ ARG A 83 -13.357 3.289 9.694 1.00 0.00 C ATOM 1293 NH1 ARG A 83 -12.709 4.030 10.584 1.00 0.00 N ATOM 1294 NH2 ARG A 83 -14.564 2.821 9.981 1.00 0.00 N ATOM 0 H ARG A 83 -7.643 0.691 9.493 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.461 0.238 10.195 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.558 1.305 7.495 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.203 0.975 8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.566 2.748 9.921 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.420 3.278 8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.397 4.560 8.332 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.353 3.368 7.048 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.323 2.444 7.858 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.780 4.392 10.367 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.140 4.238 11.485 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.065 2.251 9.300 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.991 3.031 10.883 1.00 0.00 H new ATOM 1308 N SER A 84 -10.283 -1.994 9.154 1.00 0.00 N ATOM 1309 CA SER A 84 -10.148 -3.348 8.630 1.00 0.00 C ATOM 1310 C SER A 84 -10.441 -3.384 7.133 1.00 0.00 C ATOM 1311 O SER A 84 -11.545 -3.055 6.697 1.00 0.00 O ATOM 1312 CB SER A 84 -11.090 -4.300 9.369 1.00 0.00 C ATOM 1313 OG SER A 84 -10.687 -4.472 10.717 1.00 0.00 O ATOM 0 H SER A 84 -11.051 -1.872 9.814 1.00 0.00 H new ATOM 0 HA SER A 84 -9.119 -3.671 8.788 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.107 -3.908 9.337 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.105 -5.266 8.865 1.00 0.00 H new ATOM 0 HG SER A 84 -11.306 -5.083 11.168 1.00 0.00 H new