USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=20 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 64 SER OG : rot -99:sc= 1.24 USER MOD Set 1.2: A 66 CYS SG : rot 35:sc= 1.01 USER MOD Set 2.1: A 34 CYS SG : rot 139:sc= -0.924 USER MOD Set 2.2: A 37 CYS SG : rot -62:sc= -0.72! USER MOD Set 2.3: A 58 CYS SG : rot -128:sc= 0.798 USER MOD Set 2.4: A 61 CYS SG : rot 150:sc= -0.0143 USER MOD Set 3.1: A 49 CYS SG : rot -156:sc= -0.695 USER MOD Set 3.2: A 52 CYS SG : rot 131:sc= 0.684 USER MOD Set 3.3: A 55 TYR OH : rot 30:sc= 0.0932 USER MOD Set 3.4: A 67 HIS : no HE2:sc= -2.22 K(o=-3.4,f=-5.6) USER MOD Set 3.5: A 70 HIS : no HE2:sc= -1.3 K(o=-3.4,f=-4.4) USER MOD Set 4.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 59 GLN : amide:sc= 0.794 K(o=0.79,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.134 (180deg=-0.562) USER MOD Single : A 46 CYS SG : rot 28:sc= -1.71 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -47:sc= 0.664 USER MOD Single : A 56 HIS : no HD1:sc= -5.92! C(o=-5.9!,f=-8.1!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 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 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -2.97! C(o=-3!,f=-5.8!) 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 3.462 10.752 9.192 1.00 0.00 N ATOM 427 CA LEU A 30 4.685 9.986 8.979 1.00 0.00 C ATOM 428 C LEU A 30 4.471 8.513 9.314 1.00 0.00 C ATOM 429 O LEU A 30 4.933 7.629 8.594 1.00 0.00 O ATOM 430 CB LEU A 30 5.821 10.555 9.830 1.00 0.00 C ATOM 431 CG LEU A 30 5.409 11.203 11.152 1.00 0.00 C ATOM 432 CD1 LEU A 30 6.518 11.063 12.183 1.00 0.00 C ATOM 433 CD2 LEU A 30 5.057 12.668 10.941 1.00 0.00 C ATOM 0 HA LEU A 30 4.954 10.064 7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.524 9.751 10.046 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.357 11.296 9.237 1.00 0.00 H new ATOM 0 HG LEU A 30 4.525 10.688 11.527 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.207 11.530 13.118 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.723 10.006 12.356 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.420 11.552 11.816 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.766 13.113 11.893 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.923 13.197 10.543 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.229 12.745 10.236 1.00 0.00 H new ATOM 445 N GLY A 31 3.765 8.258 10.411 1.00 0.00 N ATOM 446 CA GLY A 31 3.500 6.891 10.822 1.00 0.00 C ATOM 447 C GLY A 31 4.692 5.980 10.607 1.00 0.00 C ATOM 448 O GLY A 31 5.632 5.979 11.402 1.00 0.00 O ATOM 0 H GLY A 31 3.372 8.973 11.023 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.223 6.879 11.876 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.647 6.506 10.264 1.00 0.00 H new ATOM 452 N ILE A 32 4.653 5.201 9.531 1.00 0.00 N ATOM 453 CA ILE A 32 5.739 4.281 9.215 1.00 0.00 C ATOM 454 C ILE A 32 5.968 4.197 7.709 1.00 0.00 C ATOM 455 O ILE A 32 5.028 4.174 6.914 1.00 0.00 O ATOM 456 CB ILE A 32 5.455 2.868 9.759 1.00 0.00 C ATOM 457 CG1 ILE A 32 5.335 2.900 11.284 1.00 0.00 C ATOM 458 CG2 ILE A 32 6.552 1.905 9.329 1.00 0.00 C ATOM 459 CD1 ILE A 32 4.405 1.843 11.839 1.00 0.00 C ATOM 0 H ILE A 32 3.882 5.189 8.864 1.00 0.00 H new ATOM 0 HA ILE A 32 6.635 4.674 9.695 1.00 0.00 H new ATOM 0 HB ILE A 32 4.509 2.519 9.346 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.325 2.768 11.721 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.979 3.883 11.592 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.338 0.911 9.721 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.595 1.865 8.241 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.511 2.249 9.717 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.368 1.925 12.925 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.405 1.987 11.430 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.771 0.854 11.562 1.00 0.00 H new ATOM 471 N PRO A 33 7.246 4.150 7.307 1.00 0.00 N ATOM 472 CA PRO A 33 7.630 4.065 5.895 1.00 0.00 C ATOM 473 C PRO A 33 7.284 2.714 5.280 1.00 0.00 C ATOM 474 O PRO A 33 7.106 1.724 5.991 1.00 0.00 O ATOM 475 CB PRO A 33 9.147 4.266 5.926 1.00 0.00 C ATOM 476 CG PRO A 33 9.559 3.824 7.288 1.00 0.00 C ATOM 477 CD PRO A 33 8.417 4.174 8.201 1.00 0.00 C ATOM 0 HA PRO A 33 7.102 4.798 5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.640 3.677 5.152 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.412 5.309 5.751 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.759 2.753 7.307 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.475 4.325 7.600 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.317 3.454 9.014 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.554 5.154 8.658 1.00 0.00 H new ATOM 485 N CYS A 34 7.190 2.678 3.955 1.00 0.00 N ATOM 486 CA CYS A 34 6.865 1.447 3.244 1.00 0.00 C ATOM 487 C CYS A 34 7.997 0.431 3.370 1.00 0.00 C ATOM 488 O CYS A 34 9.159 0.799 3.534 1.00 0.00 O ATOM 489 CB CYS A 34 6.593 1.744 1.768 1.00 0.00 C ATOM 490 SG CYS A 34 5.767 0.386 0.877 1.00 0.00 S ATOM 0 H CYS A 34 7.334 3.488 3.352 1.00 0.00 H new ATOM 0 HA CYS A 34 5.968 1.022 3.694 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.976 2.640 1.696 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.538 1.967 1.273 1.00 0.00 H new ATOM 0 HG CYS A 34 4.861 0.875 0.083 1.00 0.00 H new ATOM 495 N ASN A 35 7.647 -0.848 3.291 1.00 0.00 N ATOM 496 CA ASN A 35 8.633 -1.918 3.396 1.00 0.00 C ATOM 497 C ASN A 35 9.081 -2.383 2.014 1.00 0.00 C ATOM 498 O ASN A 35 10.168 -2.937 1.857 1.00 0.00 O ATOM 499 CB ASN A 35 8.055 -3.097 4.181 1.00 0.00 C ATOM 500 CG ASN A 35 9.124 -3.879 4.921 1.00 0.00 C ATOM 501 OD1 ASN A 35 9.675 -3.409 5.917 1.00 0.00 O ATOM 502 ND2 ASN A 35 9.421 -5.079 4.436 1.00 0.00 N ATOM 0 H ASN A 35 6.689 -1.169 3.155 1.00 0.00 H new ATOM 0 HA ASN A 35 9.501 -1.527 3.927 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.319 -2.728 4.895 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.530 -3.763 3.497 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.132 -5.652 4.892 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.939 -5.428 3.608 1.00 0.00 H new ATOM 509 N ASN A 36 8.235 -2.153 1.015 1.00 0.00 N ATOM 510 CA ASN A 36 8.544 -2.548 -0.354 1.00 0.00 C ATOM 511 C ASN A 36 9.311 -1.446 -1.079 1.00 0.00 C ATOM 512 O ASN A 36 10.518 -1.554 -1.296 1.00 0.00 O ATOM 513 CB ASN A 36 7.257 -2.874 -1.115 1.00 0.00 C ATOM 514 CG ASN A 36 7.475 -3.906 -2.205 1.00 0.00 C ATOM 515 OD1 ASN A 36 7.514 -5.107 -1.938 1.00 0.00 O ATOM 516 ND2 ASN A 36 7.619 -3.440 -3.440 1.00 0.00 N ATOM 0 H ASN A 36 7.331 -1.695 1.128 1.00 0.00 H new ATOM 0 HA ASN A 36 9.172 -3.438 -0.316 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.507 -3.242 -0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.859 -1.961 -1.557 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.769 -4.086 -4.215 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.579 -2.436 -3.614 1.00 0.00 H new ATOM 523 N CYS A 37 8.602 -0.385 -1.450 1.00 0.00 N ATOM 524 CA CYS A 37 9.214 0.738 -2.150 1.00 0.00 C ATOM 525 C CYS A 37 10.061 1.576 -1.197 1.00 0.00 C ATOM 526 O CYS A 37 11.021 2.227 -1.610 1.00 0.00 O ATOM 527 CB CYS A 37 8.137 1.612 -2.796 1.00 0.00 C ATOM 528 SG CYS A 37 7.192 2.624 -1.612 1.00 0.00 S ATOM 0 H CYS A 37 7.602 -0.279 -1.277 1.00 0.00 H new ATOM 0 HA CYS A 37 9.863 0.338 -2.929 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.608 2.271 -3.526 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.445 0.972 -3.344 1.00 0.00 H new ATOM 0 HG CYS A 37 6.563 1.846 -0.782 1.00 0.00 H new ATOM 533 N LYS A 38 9.698 1.556 0.082 1.00 0.00 N ATOM 534 CA LYS A 38 10.424 2.312 1.095 1.00 0.00 C ATOM 535 C LYS A 38 10.222 3.812 0.904 1.00 0.00 C ATOM 536 O LYS A 38 11.168 4.592 1.005 1.00 0.00 O ATOM 537 CB LYS A 38 11.916 1.977 1.040 1.00 0.00 C ATOM 538 CG LYS A 38 12.207 0.487 1.080 1.00 0.00 C ATOM 539 CD LYS A 38 12.102 -0.064 2.492 1.00 0.00 C ATOM 540 CE LYS A 38 13.424 0.053 3.236 1.00 0.00 C ATOM 541 NZ LYS A 38 13.327 -0.470 4.626 1.00 0.00 N ATOM 0 H LYS A 38 8.905 1.024 0.441 1.00 0.00 H new ATOM 0 HA LYS A 38 10.031 2.032 2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.341 2.397 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.419 2.460 1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.507 -0.039 0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.207 0.300 0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.327 0.475 3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.796 -1.109 2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.195 -0.496 2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.735 1.097 3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.248 -0.372 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.609 0.070 5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.055 -1.474 4.601 1.00 0.00 H new ATOM 555 N GLN A 39 8.983 4.207 0.630 1.00 0.00 N ATOM 556 CA GLN A 39 8.658 5.614 0.426 1.00 0.00 C ATOM 557 C GLN A 39 8.429 6.318 1.760 1.00 0.00 C ATOM 558 O GLN A 39 7.577 5.912 2.550 1.00 0.00 O ATOM 559 CB GLN A 39 7.415 5.749 -0.455 1.00 0.00 C ATOM 560 CG GLN A 39 7.127 7.179 -0.886 1.00 0.00 C ATOM 561 CD GLN A 39 6.464 7.256 -2.246 1.00 0.00 C ATOM 562 OE1 GLN A 39 7.101 7.598 -3.242 1.00 0.00 O ATOM 563 NE2 GLN A 39 5.176 6.937 -2.296 1.00 0.00 N ATOM 0 H GLN A 39 8.188 3.573 0.544 1.00 0.00 H new ATOM 0 HA GLN A 39 9.503 6.088 -0.074 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.540 5.129 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.552 5.361 0.086 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.485 7.655 -0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.060 7.743 -0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.686 6.659 -1.446 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.677 6.970 -3.185 1.00 0.00 H new ATOM 572 N PHE A 40 9.196 7.376 2.003 1.00 0.00 N ATOM 573 CA PHE A 40 9.078 8.137 3.242 1.00 0.00 C ATOM 574 C PHE A 40 9.373 9.615 3.003 1.00 0.00 C ATOM 575 O PHE A 40 10.421 9.987 2.475 1.00 0.00 O ATOM 576 CB PHE A 40 10.032 7.579 4.300 1.00 0.00 C ATOM 577 CG PHE A 40 9.526 7.739 5.706 1.00 0.00 C ATOM 578 CD1 PHE A 40 8.253 7.314 6.051 1.00 0.00 C ATOM 579 CD2 PHE A 40 10.324 8.313 6.682 1.00 0.00 C ATOM 580 CE1 PHE A 40 7.786 7.459 7.344 1.00 0.00 C ATOM 581 CE2 PHE A 40 9.862 8.460 7.976 1.00 0.00 C ATOM 582 CZ PHE A 40 8.591 8.033 8.307 1.00 0.00 C ATOM 0 H PHE A 40 9.905 7.726 1.359 1.00 0.00 H new ATOM 0 HA PHE A 40 8.053 8.043 3.601 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.203 6.521 4.102 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.996 8.080 4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.619 6.864 5.301 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.319 8.649 6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.792 7.123 7.600 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.494 8.908 8.728 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.228 8.148 9.318 1.00 0.00 H new ATOM 592 N PRO A 41 8.426 10.478 3.400 1.00 0.00 N ATOM 593 CA PRO A 41 7.174 10.047 4.028 1.00 0.00 C ATOM 594 C PRO A 41 6.250 9.332 3.049 1.00 0.00 C ATOM 595 O PRO A 41 6.472 9.360 1.838 1.00 0.00 O ATOM 596 CB PRO A 41 6.543 11.359 4.499 1.00 0.00 C ATOM 597 CG PRO A 41 7.111 12.398 3.595 1.00 0.00 C ATOM 598 CD PRO A 41 8.505 11.942 3.264 1.00 0.00 C ATOM 0 HA PRO A 41 7.347 9.329 4.830 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.456 11.324 4.428 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.788 11.564 5.541 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.509 12.501 2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.125 13.373 4.082 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.795 12.237 2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.240 12.370 3.945 1.00 0.00 H new ATOM 606 N ILE A 42 5.213 8.692 3.580 1.00 0.00 N ATOM 607 CA ILE A 42 4.255 7.972 2.751 1.00 0.00 C ATOM 608 C ILE A 42 3.065 8.855 2.393 1.00 0.00 C ATOM 609 O ILE A 42 2.026 8.810 3.052 1.00 0.00 O ATOM 610 CB ILE A 42 3.743 6.702 3.457 1.00 0.00 C ATOM 611 CG1 ILE A 42 4.867 5.671 3.577 1.00 0.00 C ATOM 612 CG2 ILE A 42 2.559 6.117 2.702 1.00 0.00 C ATOM 613 CD1 ILE A 42 4.410 4.339 4.130 1.00 0.00 C ATOM 0 H ILE A 42 5.015 8.658 4.580 1.00 0.00 H new ATOM 0 HA ILE A 42 4.779 7.685 1.839 1.00 0.00 H new ATOM 0 HB ILE A 42 3.412 6.970 4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.311 5.514 2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.650 6.073 4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.209 5.220 3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.754 6.851 2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.865 5.860 1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.259 3.658 4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.993 4.483 5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.648 3.915 3.475 1.00 0.00 H new ATOM 625 N GLU A 43 3.223 9.655 1.344 1.00 0.00 N ATOM 626 CA GLU A 43 2.161 10.549 0.898 1.00 0.00 C ATOM 627 C GLU A 43 0.800 9.865 0.994 1.00 0.00 C ATOM 628 O GLU A 43 -0.108 10.357 1.663 1.00 0.00 O ATOM 629 CB GLU A 43 2.415 11.002 -0.542 1.00 0.00 C ATOM 630 CG GLU A 43 3.602 11.940 -0.683 1.00 0.00 C ATOM 631 CD GLU A 43 4.924 11.201 -0.760 1.00 0.00 C ATOM 632 OE1 GLU A 43 5.010 10.216 -1.523 1.00 0.00 O ATOM 633 OE2 GLU A 43 5.873 11.606 -0.056 1.00 0.00 O ATOM 0 H GLU A 43 4.076 9.703 0.787 1.00 0.00 H new ATOM 0 HA GLU A 43 2.158 11.422 1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.580 10.124 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.522 11.500 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.476 12.547 -1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.622 12.625 0.165 1.00 0.00 H new ATOM 640 N GLY A 44 0.666 8.728 0.318 1.00 0.00 N ATOM 641 CA GLY A 44 -0.587 7.995 0.340 1.00 0.00 C ATOM 642 C GLY A 44 -0.892 7.408 1.703 1.00 0.00 C ATOM 643 O GLY A 44 -0.177 7.664 2.672 1.00 0.00 O ATOM 0 H GLY A 44 1.402 8.301 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.398 8.660 0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.548 7.193 -0.397 1.00 0.00 H new ATOM 647 N LYS A 45 -1.958 6.619 1.781 1.00 0.00 N ATOM 648 CA LYS A 45 -2.358 5.994 3.036 1.00 0.00 C ATOM 649 C LYS A 45 -1.235 5.126 3.594 1.00 0.00 C ATOM 650 O LYS A 45 -0.254 4.844 2.903 1.00 0.00 O ATOM 651 CB LYS A 45 -3.616 5.147 2.830 1.00 0.00 C ATOM 652 CG LYS A 45 -4.909 5.921 3.025 1.00 0.00 C ATOM 653 CD LYS A 45 -5.283 6.020 4.494 1.00 0.00 C ATOM 654 CE LYS A 45 -6.291 7.132 4.739 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.727 8.473 4.420 1.00 0.00 N ATOM 0 H LYS A 45 -2.561 6.397 0.989 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.573 6.785 3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.601 4.728 1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.596 4.307 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.801 6.922 2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.713 5.432 2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.699 5.070 4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.387 6.203 5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.179 6.958 4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.609 7.111 5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.264 9.205 4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.730 8.509 4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.793 8.643 3.396 1.00 0.00 H new ATOM 669 N CYS A 46 -1.384 4.704 4.844 1.00 0.00 N ATOM 670 CA CYS A 46 -0.381 3.867 5.494 1.00 0.00 C ATOM 671 C CYS A 46 -0.969 2.513 5.877 1.00 0.00 C ATOM 672 O CYS A 46 -1.756 2.410 6.819 1.00 0.00 O ATOM 673 CB CYS A 46 0.170 4.567 6.737 1.00 0.00 C ATOM 674 SG CYS A 46 -1.101 5.120 7.898 1.00 0.00 S ATOM 0 H CYS A 46 -2.190 4.927 5.428 1.00 0.00 H new ATOM 0 HA CYS A 46 0.433 3.703 4.788 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.847 3.887 7.253 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.760 5.428 6.424 1.00 0.00 H new ATOM 0 HG CYS A 46 -2.145 4.351 7.798 1.00 0.00 H new ATOM 680 N TYR A 47 -0.584 1.477 5.140 1.00 0.00 N ATOM 681 CA TYR A 47 -1.077 0.129 5.400 1.00 0.00 C ATOM 682 C TYR A 47 -0.067 -0.671 6.218 1.00 0.00 C ATOM 683 O TYR A 47 1.136 -0.414 6.166 1.00 0.00 O ATOM 684 CB TYR A 47 -1.369 -0.592 4.083 1.00 0.00 C ATOM 685 CG TYR A 47 -2.421 0.091 3.239 1.00 0.00 C ATOM 686 CD1 TYR A 47 -2.169 1.318 2.638 1.00 0.00 C ATOM 687 CD2 TYR A 47 -3.667 -0.491 3.042 1.00 0.00 C ATOM 688 CE1 TYR A 47 -3.128 1.946 1.867 1.00 0.00 C ATOM 689 CE2 TYR A 47 -4.632 0.129 2.271 1.00 0.00 C ATOM 690 CZ TYR A 47 -4.357 1.348 1.686 1.00 0.00 C ATOM 691 OH TYR A 47 -5.314 1.969 0.917 1.00 0.00 O ATOM 0 H TYR A 47 0.068 1.544 4.358 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.000 0.211 5.974 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.446 -0.668 3.508 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.694 -1.610 4.300 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.207 1.789 2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.885 -1.445 3.499 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.916 2.901 1.408 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.595 -0.338 2.127 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.122 1.415 0.890 1.00 0.00 H new ATOM 701 N LYS A 48 -0.566 -1.644 6.973 1.00 0.00 N ATOM 702 CA LYS A 48 0.289 -2.485 7.802 1.00 0.00 C ATOM 703 C LYS A 48 -0.240 -3.915 7.853 1.00 0.00 C ATOM 704 O LYS A 48 -1.381 -4.151 8.249 1.00 0.00 O ATOM 705 CB LYS A 48 0.383 -1.913 9.218 1.00 0.00 C ATOM 706 CG LYS A 48 1.105 -2.825 10.195 1.00 0.00 C ATOM 707 CD LYS A 48 1.459 -2.096 11.480 1.00 0.00 C ATOM 708 CE LYS A 48 0.270 -2.023 12.426 1.00 0.00 C ATOM 709 NZ LYS A 48 0.142 -3.257 13.251 1.00 0.00 N ATOM 0 H LYS A 48 -1.559 -1.870 7.028 1.00 0.00 H new ATOM 0 HA LYS A 48 1.284 -2.500 7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.899 -0.954 9.180 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.623 -1.719 9.590 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.476 -3.685 10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.013 -3.210 9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.286 -2.606 11.973 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.801 -1.088 11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.379 -1.158 13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.644 -1.874 11.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.680 -3.169 13.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.013 -4.079 12.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.003 -3.385 13.819 1.00 0.00 H new ATOM 723 N CYS A 49 0.598 -4.865 7.452 1.00 0.00 N ATOM 724 CA CYS A 49 0.216 -6.272 7.453 1.00 0.00 C ATOM 725 C CYS A 49 0.010 -6.779 8.878 1.00 0.00 C ATOM 726 O CYS A 49 0.890 -6.646 9.729 1.00 0.00 O ATOM 727 CB CYS A 49 1.283 -7.113 6.750 1.00 0.00 C ATOM 728 SG CYS A 49 0.834 -8.866 6.546 1.00 0.00 S ATOM 0 H CYS A 49 1.546 -4.686 7.122 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.726 -6.367 6.912 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.480 -6.683 5.768 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.211 -7.051 7.318 1.00 0.00 H new ATOM 0 HG CYS A 49 1.914 -9.579 6.424 1.00 0.00 H new ATOM 733 N THR A 50 -1.158 -7.361 9.130 1.00 0.00 N ATOM 734 CA THR A 50 -1.480 -7.887 10.451 1.00 0.00 C ATOM 735 C THR A 50 -1.066 -9.348 10.576 1.00 0.00 C ATOM 736 O THR A 50 -1.323 -9.990 11.594 1.00 0.00 O ATOM 737 CB THR A 50 -2.985 -7.763 10.753 1.00 0.00 C ATOM 738 OG1 THR A 50 -3.718 -8.734 9.996 1.00 0.00 O ATOM 739 CG2 THR A 50 -3.491 -6.368 10.421 1.00 0.00 C ATOM 0 H THR A 50 -1.897 -7.480 8.437 1.00 0.00 H new ATOM 0 HA THR A 50 -0.922 -7.291 11.174 1.00 0.00 H new ATOM 0 HB THR A 50 -3.135 -7.943 11.818 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.414 -8.720 9.064 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.556 -6.305 10.643 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.952 -5.633 11.019 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.328 -6.164 9.363 1.00 0.00 H new ATOM 747 N GLU A 51 -0.423 -9.868 9.535 1.00 0.00 N ATOM 748 CA GLU A 51 0.026 -11.255 9.531 1.00 0.00 C ATOM 749 C GLU A 51 1.549 -11.334 9.585 1.00 0.00 C ATOM 750 O GLU A 51 2.115 -12.331 10.034 1.00 0.00 O ATOM 751 CB GLU A 51 -0.489 -11.978 8.284 1.00 0.00 C ATOM 752 CG GLU A 51 -2.005 -12.018 8.187 1.00 0.00 C ATOM 753 CD GLU A 51 -2.511 -13.253 7.468 1.00 0.00 C ATOM 754 OE1 GLU A 51 -1.799 -13.748 6.568 1.00 0.00 O ATOM 755 OE2 GLU A 51 -3.617 -13.724 7.803 1.00 0.00 O ATOM 0 H GLU A 51 -0.202 -9.350 8.685 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.378 -11.743 10.418 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.089 -11.485 7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.106 -12.998 8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.430 -11.986 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.355 -11.128 7.664 1.00 0.00 H new ATOM 762 N CYS A 52 2.207 -10.276 9.123 1.00 0.00 N ATOM 763 CA CYS A 52 3.664 -10.224 9.117 1.00 0.00 C ATOM 764 C CYS A 52 4.183 -9.382 10.278 1.00 0.00 C ATOM 765 O CYS A 52 3.411 -8.931 11.125 1.00 0.00 O ATOM 766 CB CYS A 52 4.169 -9.651 7.791 1.00 0.00 C ATOM 767 SG CYS A 52 4.108 -10.827 6.401 1.00 0.00 S ATOM 0 H CYS A 52 1.754 -9.443 8.748 1.00 0.00 H new ATOM 0 HA CYS A 52 4.040 -11.241 9.233 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.574 -8.774 7.537 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.197 -9.313 7.922 1.00 0.00 H new ATOM 0 HG CYS A 52 3.529 -10.265 5.382 1.00 0.00 H new ATOM 772 N ILE A 53 5.495 -9.174 10.311 1.00 0.00 N ATOM 773 CA ILE A 53 6.117 -8.385 11.367 1.00 0.00 C ATOM 774 C ILE A 53 6.899 -7.211 10.788 1.00 0.00 C ATOM 775 O ILE A 53 7.608 -7.355 9.792 1.00 0.00 O ATOM 776 CB ILE A 53 7.063 -9.243 12.228 1.00 0.00 C ATOM 777 CG1 ILE A 53 6.258 -10.169 13.141 1.00 0.00 C ATOM 778 CG2 ILE A 53 7.986 -8.353 13.048 1.00 0.00 C ATOM 779 CD1 ILE A 53 7.114 -11.143 13.921 1.00 0.00 C ATOM 0 H ILE A 53 6.148 -9.541 9.618 1.00 0.00 H new ATOM 0 HA ILE A 53 5.310 -8.007 11.995 1.00 0.00 H new ATOM 0 HB ILE A 53 7.675 -9.857 11.567 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.681 -9.564 13.840 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.543 -10.729 12.538 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.649 -8.974 13.651 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.581 -7.731 12.379 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.391 -7.716 13.702 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.476 -11.767 14.547 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.672 -11.773 13.228 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.812 -10.591 14.551 1.00 0.00 H new ATOM 791 N GLU A 54 6.767 -6.049 11.420 1.00 0.00 N ATOM 792 CA GLU A 54 7.462 -4.850 10.968 1.00 0.00 C ATOM 793 C GLU A 54 7.287 -4.654 9.465 1.00 0.00 C ATOM 794 O GLU A 54 8.237 -4.319 8.756 1.00 0.00 O ATOM 795 CB GLU A 54 8.951 -4.937 11.312 1.00 0.00 C ATOM 796 CG GLU A 54 9.232 -4.935 12.805 1.00 0.00 C ATOM 797 CD GLU A 54 10.715 -4.954 13.120 1.00 0.00 C ATOM 798 OE1 GLU A 54 11.426 -5.824 12.576 1.00 0.00 O ATOM 799 OE2 GLU A 54 11.164 -4.097 13.910 1.00 0.00 O ATOM 0 H GLU A 54 6.185 -5.913 12.247 1.00 0.00 H new ATOM 0 HA GLU A 54 7.027 -3.993 11.482 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.364 -5.846 10.874 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.471 -4.097 10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.780 -4.051 13.255 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.756 -5.803 13.262 1.00 0.00 H new ATOM 806 N TYR A 55 6.066 -4.865 8.985 1.00 0.00 N ATOM 807 CA TYR A 55 5.766 -4.715 7.566 1.00 0.00 C ATOM 808 C TYR A 55 4.668 -3.678 7.349 1.00 0.00 C ATOM 809 O TYR A 55 3.600 -3.749 7.959 1.00 0.00 O ATOM 810 CB TYR A 55 5.341 -6.057 6.969 1.00 0.00 C ATOM 811 CG TYR A 55 5.353 -6.077 5.457 1.00 0.00 C ATOM 812 CD1 TYR A 55 6.509 -6.398 4.756 1.00 0.00 C ATOM 813 CD2 TYR A 55 4.209 -5.775 4.729 1.00 0.00 C ATOM 814 CE1 TYR A 55 6.525 -6.417 3.375 1.00 0.00 C ATOM 815 CE2 TYR A 55 4.215 -5.794 3.348 1.00 0.00 C ATOM 816 CZ TYR A 55 5.376 -6.115 2.675 1.00 0.00 C ATOM 817 OH TYR A 55 5.387 -6.133 1.299 1.00 0.00 O ATOM 0 H TYR A 55 5.268 -5.140 9.558 1.00 0.00 H new ATOM 0 HA TYR A 55 6.670 -4.371 7.063 1.00 0.00 H new ATOM 0 HB2 TYR A 55 6.006 -6.837 7.340 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.338 -6.300 7.319 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.411 -6.637 5.300 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.299 -5.521 5.252 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.433 -6.667 2.846 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.316 -5.559 2.798 1.00 0.00 H new ATOM 0 HH TYR A 55 6.043 -6.791 0.986 1.00 0.00 H new ATOM 827 N HIS A 56 4.938 -2.714 6.474 1.00 0.00 N ATOM 828 CA HIS A 56 3.974 -1.662 6.174 1.00 0.00 C ATOM 829 C HIS A 56 4.058 -1.250 4.707 1.00 0.00 C ATOM 830 O HIS A 56 5.148 -1.037 4.173 1.00 0.00 O ATOM 831 CB HIS A 56 4.216 -0.448 7.071 1.00 0.00 C ATOM 832 CG HIS A 56 4.760 -0.800 8.421 1.00 0.00 C ATOM 833 ND1 HIS A 56 6.040 -1.274 8.617 1.00 0.00 N ATOM 834 CD2 HIS A 56 4.190 -0.743 9.648 1.00 0.00 C ATOM 835 CE1 HIS A 56 6.233 -1.495 9.905 1.00 0.00 C ATOM 836 NE2 HIS A 56 5.126 -1.180 10.553 1.00 0.00 N ATOM 0 H HIS A 56 5.816 -2.640 5.961 1.00 0.00 H new ATOM 0 HA HIS A 56 2.975 -2.053 6.367 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.911 0.228 6.573 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.278 0.094 7.196 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.186 -0.415 9.873 1.00 0.00 H new ATOM 0 HE1 HIS A 56 7.142 -1.870 10.352 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.989 -1.250 11.561 1.00 0.00 H new ATOM 844 N LEU A 57 2.903 -1.140 4.061 1.00 0.00 N ATOM 845 CA LEU A 57 2.846 -0.755 2.655 1.00 0.00 C ATOM 846 C LEU A 57 2.154 0.594 2.488 1.00 0.00 C ATOM 847 O LEU A 57 1.503 1.089 3.410 1.00 0.00 O ATOM 848 CB LEU A 57 2.111 -1.822 1.843 1.00 0.00 C ATOM 849 CG LEU A 57 2.908 -3.086 1.518 1.00 0.00 C ATOM 850 CD1 LEU A 57 2.073 -4.044 0.683 1.00 0.00 C ATOM 851 CD2 LEU A 57 4.198 -2.731 0.794 1.00 0.00 C ATOM 0 H LEU A 57 1.993 -1.312 4.488 1.00 0.00 H new ATOM 0 HA LEU A 57 3.868 -0.667 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.214 -2.113 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.781 -1.374 0.906 1.00 0.00 H new ATOM 0 HG LEU A 57 3.164 -3.581 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.657 -4.937 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.177 -4.324 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.786 -3.558 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.752 -3.642 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.963 -2.212 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.804 -2.084 1.427 1.00 0.00 H new ATOM 863 N CYS A 58 2.296 1.184 1.306 1.00 0.00 N ATOM 864 CA CYS A 58 1.684 2.475 1.016 1.00 0.00 C ATOM 865 C CYS A 58 0.580 2.331 -0.027 1.00 0.00 C ATOM 866 O CYS A 58 0.645 1.464 -0.898 1.00 0.00 O ATOM 867 CB CYS A 58 2.741 3.465 0.524 1.00 0.00 C ATOM 868 SG CYS A 58 3.610 2.934 -0.986 1.00 0.00 S ATOM 0 H CYS A 58 2.830 0.788 0.533 1.00 0.00 H new ATOM 0 HA CYS A 58 1.242 2.855 1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.263 4.427 0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.473 3.622 1.316 1.00 0.00 H new ATOM 0 HG CYS A 58 4.894 2.988 -0.790 1.00 0.00 H new ATOM 873 N GLN A 59 -0.432 3.188 0.068 1.00 0.00 N ATOM 874 CA GLN A 59 -1.550 3.156 -0.867 1.00 0.00 C ATOM 875 C GLN A 59 -1.084 2.737 -2.258 1.00 0.00 C ATOM 876 O GLN A 59 -1.727 1.921 -2.918 1.00 0.00 O ATOM 877 CB GLN A 59 -2.226 4.526 -0.934 1.00 0.00 C ATOM 878 CG GLN A 59 -3.285 4.630 -2.019 1.00 0.00 C ATOM 879 CD GLN A 59 -4.498 3.764 -1.736 1.00 0.00 C ATOM 880 OE1 GLN A 59 -5.506 4.240 -1.213 1.00 0.00 O ATOM 881 NE2 GLN A 59 -4.406 2.486 -2.082 1.00 0.00 N ATOM 0 H GLN A 59 -0.500 3.912 0.783 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.270 2.421 -0.508 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.684 4.743 0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.466 5.289 -1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.600 5.669 -2.116 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.850 4.338 -2.975 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.551 2.135 -2.513 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.190 1.855 -1.917 1.00 0.00 H new ATOM 890 N GLU A 60 0.037 3.301 -2.696 1.00 0.00 N ATOM 891 CA GLU A 60 0.587 2.986 -4.010 1.00 0.00 C ATOM 892 C GLU A 60 0.866 1.492 -4.138 1.00 0.00 C ATOM 893 O GLU A 60 0.220 0.792 -4.919 1.00 0.00 O ATOM 894 CB GLU A 60 1.872 3.780 -4.252 1.00 0.00 C ATOM 895 CG GLU A 60 2.139 4.073 -5.719 1.00 0.00 C ATOM 896 CD GLU A 60 0.874 4.402 -6.487 1.00 0.00 C ATOM 897 OE1 GLU A 60 0.484 5.588 -6.510 1.00 0.00 O ATOM 898 OE2 GLU A 60 0.274 3.472 -7.066 1.00 0.00 O ATOM 0 H GLU A 60 0.582 3.978 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.151 3.265 -4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.815 4.722 -3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.715 3.224 -3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.835 4.908 -5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.623 3.210 -6.176 1.00 0.00 H new ATOM 905 N CYS A 61 1.835 1.009 -3.367 1.00 0.00 N ATOM 906 CA CYS A 61 2.203 -0.402 -3.394 1.00 0.00 C ATOM 907 C CYS A 61 0.970 -1.288 -3.243 1.00 0.00 C ATOM 908 O CYS A 61 0.859 -2.331 -3.889 1.00 0.00 O ATOM 909 CB CYS A 61 3.205 -0.710 -2.280 1.00 0.00 C ATOM 910 SG CYS A 61 4.924 -0.262 -2.683 1.00 0.00 S ATOM 0 H CYS A 61 2.380 1.574 -2.716 1.00 0.00 H new ATOM 0 HA CYS A 61 2.665 -0.613 -4.358 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.904 -0.178 -1.378 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.162 -1.775 -2.051 1.00 0.00 H new ATOM 0 HG CYS A 61 5.559 0.047 -1.592 1.00 0.00 H new ATOM 915 N PHE A 62 0.045 -0.866 -2.387 1.00 0.00 N ATOM 916 CA PHE A 62 -1.180 -1.621 -2.151 1.00 0.00 C ATOM 917 C PHE A 62 -1.914 -1.890 -3.461 1.00 0.00 C ATOM 918 O PHE A 62 -2.502 -2.955 -3.648 1.00 0.00 O ATOM 919 CB PHE A 62 -2.094 -0.862 -1.186 1.00 0.00 C ATOM 920 CG PHE A 62 -3.098 -1.740 -0.496 1.00 0.00 C ATOM 921 CD1 PHE A 62 -2.688 -2.706 0.409 1.00 0.00 C ATOM 922 CD2 PHE A 62 -4.453 -1.600 -0.754 1.00 0.00 C ATOM 923 CE1 PHE A 62 -3.610 -3.515 1.046 1.00 0.00 C ATOM 924 CE2 PHE A 62 -5.379 -2.406 -0.120 1.00 0.00 C ATOM 925 CZ PHE A 62 -4.957 -3.366 0.780 1.00 0.00 C ATOM 0 H PHE A 62 0.121 -0.005 -1.845 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.908 -2.578 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.482 -0.364 -0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.622 -0.082 -1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.636 -2.828 0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.788 -0.853 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.278 -4.263 1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.432 -2.286 -0.328 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.679 -3.999 1.274 1.00 0.00 H new ATOM 935 N ASP A 63 -1.877 -0.916 -4.363 1.00 0.00 N ATOM 936 CA ASP A 63 -2.538 -1.046 -5.656 1.00 0.00 C ATOM 937 C ASP A 63 -1.954 -2.210 -6.451 1.00 0.00 C ATOM 938 O ASP A 63 -2.594 -2.737 -7.361 1.00 0.00 O ATOM 939 CB ASP A 63 -2.403 0.251 -6.455 1.00 0.00 C ATOM 940 CG ASP A 63 -2.992 0.138 -7.848 1.00 0.00 C ATOM 941 OD1 ASP A 63 -4.110 -0.405 -7.977 1.00 0.00 O ATOM 942 OD2 ASP A 63 -2.335 0.592 -8.808 1.00 0.00 O ATOM 0 H ASP A 63 -1.396 -0.027 -4.223 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.595 -1.245 -5.477 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.901 1.058 -5.918 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.349 0.520 -6.530 1.00 0.00 H new ATOM 947 N SER A 64 -0.734 -2.606 -6.101 1.00 0.00 N ATOM 948 CA SER A 64 -0.061 -3.704 -6.785 1.00 0.00 C ATOM 949 C SER A 64 -0.806 -5.018 -6.566 1.00 0.00 C ATOM 950 O SER A 64 -0.756 -5.919 -7.403 1.00 0.00 O ATOM 951 CB SER A 64 1.381 -3.834 -6.290 1.00 0.00 C ATOM 952 OG SER A 64 2.204 -4.438 -7.272 1.00 0.00 O ATOM 0 H SER A 64 -0.192 -2.183 -5.348 1.00 0.00 H new ATOM 0 HA SER A 64 -0.053 -3.484 -7.853 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.773 -2.848 -6.039 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.403 -4.428 -5.377 1.00 0.00 H new ATOM 0 HG SER A 64 2.315 -5.390 -7.066 1.00 0.00 H new ATOM 958 N TYR A 65 -1.497 -5.118 -5.436 1.00 0.00 N ATOM 959 CA TYR A 65 -2.250 -6.321 -5.105 1.00 0.00 C ATOM 960 C TYR A 65 -1.339 -7.544 -5.077 1.00 0.00 C ATOM 961 O TYR A 65 -1.632 -8.565 -5.701 1.00 0.00 O ATOM 962 CB TYR A 65 -3.379 -6.535 -6.114 1.00 0.00 C ATOM 963 CG TYR A 65 -4.632 -5.751 -5.797 1.00 0.00 C ATOM 964 CD1 TYR A 65 -4.579 -4.382 -5.565 1.00 0.00 C ATOM 965 CD2 TYR A 65 -5.870 -6.378 -5.728 1.00 0.00 C ATOM 966 CE1 TYR A 65 -5.721 -3.661 -5.274 1.00 0.00 C ATOM 967 CE2 TYR A 65 -7.017 -5.666 -5.440 1.00 0.00 C ATOM 968 CZ TYR A 65 -6.938 -4.307 -5.213 1.00 0.00 C ATOM 969 OH TYR A 65 -8.078 -3.594 -4.924 1.00 0.00 O ATOM 0 H TYR A 65 -1.551 -4.380 -4.734 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.679 -6.188 -4.112 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.026 -6.254 -7.106 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.625 -7.596 -6.152 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.628 -3.872 -5.613 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.936 -7.442 -5.903 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.661 -2.598 -5.095 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.971 -6.170 -5.393 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.850 -4.198 -4.921 1.00 0.00 H new ATOM 979 N CYS A 66 -0.234 -7.434 -4.348 1.00 0.00 N ATOM 980 CA CYS A 66 0.722 -8.530 -4.238 1.00 0.00 C ATOM 981 C CYS A 66 0.701 -9.130 -2.836 1.00 0.00 C ATOM 982 O CYS A 66 0.596 -10.346 -2.671 1.00 0.00 O ATOM 983 CB CYS A 66 2.131 -8.041 -4.576 1.00 0.00 C ATOM 984 SG CYS A 66 2.325 -7.470 -6.280 1.00 0.00 S ATOM 0 H CYS A 66 0.022 -6.597 -3.824 1.00 0.00 H new ATOM 0 HA CYS A 66 0.434 -9.304 -4.949 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.394 -7.228 -3.899 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.838 -8.850 -4.392 1.00 0.00 H new ATOM 0 HG CYS A 66 1.226 -6.898 -6.674 1.00 0.00 H new ATOM 990 N HIS A 67 0.803 -8.270 -1.828 1.00 0.00 N ATOM 991 CA HIS A 67 0.797 -8.715 -0.439 1.00 0.00 C ATOM 992 C HIS A 67 -0.625 -8.756 0.113 1.00 0.00 C ATOM 993 O HIS A 67 -0.872 -9.313 1.183 1.00 0.00 O ATOM 994 CB HIS A 67 1.663 -7.792 0.419 1.00 0.00 C ATOM 995 CG HIS A 67 2.269 -8.472 1.607 1.00 0.00 C ATOM 996 ND1 HIS A 67 3.628 -8.512 1.840 1.00 0.00 N ATOM 997 CD2 HIS A 67 1.693 -9.141 2.634 1.00 0.00 C ATOM 998 CE1 HIS A 67 3.862 -9.177 2.957 1.00 0.00 C ATOM 999 NE2 HIS A 67 2.704 -9.569 3.459 1.00 0.00 N ATOM 0 H HIS A 67 0.891 -7.261 -1.947 1.00 0.00 H new ATOM 0 HA HIS A 67 1.210 -9.723 -0.405 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.460 -7.378 -0.198 1.00 0.00 H new ATOM 0 HB3 HIS A 67 1.057 -6.953 0.761 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.341 -8.093 1.243 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.636 -9.307 2.777 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.834 -9.368 3.387 1.00 0.00 H new ATOM 1007 N LEU A 68 -1.557 -8.161 -0.624 1.00 0.00 N ATOM 1008 CA LEU A 68 -2.955 -8.128 -0.209 1.00 0.00 C ATOM 1009 C LEU A 68 -3.390 -9.481 0.345 1.00 0.00 C ATOM 1010 O LEU A 68 -4.313 -9.564 1.156 1.00 0.00 O ATOM 1011 CB LEU A 68 -3.849 -7.735 -1.386 1.00 0.00 C ATOM 1012 CG LEU A 68 -4.128 -6.241 -1.547 1.00 0.00 C ATOM 1013 CD1 LEU A 68 -2.827 -5.466 -1.683 1.00 0.00 C ATOM 1014 CD2 LEU A 68 -5.026 -5.992 -2.750 1.00 0.00 C ATOM 0 H LEU A 68 -1.370 -7.695 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.056 -7.383 0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.388 -8.099 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.802 -8.253 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.645 -5.890 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.046 -4.404 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.218 -5.617 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.283 -5.820 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.214 -4.923 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.536 -6.359 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.972 -6.515 -2.612 1.00 0.00 H new ATOM 1026 N SER A 69 -2.719 -10.540 -0.097 1.00 0.00 N ATOM 1027 CA SER A 69 -3.037 -11.890 0.353 1.00 0.00 C ATOM 1028 C SER A 69 -3.245 -11.924 1.864 1.00 0.00 C ATOM 1029 O SER A 69 -4.099 -12.653 2.369 1.00 0.00 O ATOM 1030 CB SER A 69 -1.921 -12.858 -0.042 1.00 0.00 C ATOM 1031 OG SER A 69 -2.445 -14.132 -0.375 1.00 0.00 O ATOM 0 H SER A 69 -1.951 -10.489 -0.767 1.00 0.00 H new ATOM 0 HA SER A 69 -3.964 -12.199 -0.131 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.369 -12.455 -0.891 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.213 -12.956 0.781 1.00 0.00 H new ATOM 0 HG SER A 69 -1.712 -14.732 -0.626 1.00 0.00 H new ATOM 1037 N HIS A 70 -2.457 -11.129 2.581 1.00 0.00 N ATOM 1038 CA HIS A 70 -2.554 -11.066 4.035 1.00 0.00 C ATOM 1039 C HIS A 70 -3.508 -9.958 4.469 1.00 0.00 C ATOM 1040 O HIS A 70 -3.771 -9.020 3.716 1.00 0.00 O ATOM 1041 CB HIS A 70 -1.173 -10.837 4.650 1.00 0.00 C ATOM 1042 CG HIS A 70 -0.297 -12.051 4.626 1.00 0.00 C ATOM 1043 ND1 HIS A 70 0.970 -12.077 5.171 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -0.511 -13.288 4.119 1.00 0.00 C ATOM 1045 CE1 HIS A 70 1.496 -13.276 4.999 1.00 0.00 C ATOM 1046 NE2 HIS A 70 0.618 -14.030 4.363 1.00 0.00 N ATOM 0 H HIS A 70 -1.745 -10.520 2.179 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.948 -12.019 4.390 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.675 -10.029 4.113 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.294 -10.507 5.682 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.429 -11.293 5.634 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.404 -13.628 3.616 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.478 -13.587 5.324 1.00 0.00 H new ATOM 1054 N THR A 71 -4.024 -10.071 5.689 1.00 0.00 N ATOM 1055 CA THR A 71 -4.950 -9.080 6.223 1.00 0.00 C ATOM 1056 C THR A 71 -4.219 -7.802 6.619 1.00 0.00 C ATOM 1057 O THR A 71 -3.499 -7.771 7.618 1.00 0.00 O ATOM 1058 CB THR A 71 -5.710 -9.624 7.447 1.00 0.00 C ATOM 1059 OG1 THR A 71 -6.190 -10.946 7.178 1.00 0.00 O ATOM 1060 CG2 THR A 71 -6.879 -8.718 7.804 1.00 0.00 C ATOM 0 H THR A 71 -3.816 -10.840 6.326 1.00 0.00 H new ATOM 0 HA THR A 71 -5.665 -8.856 5.431 1.00 0.00 H new ATOM 0 HB THR A 71 -5.021 -9.653 8.291 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.671 -11.285 7.962 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.401 -9.122 8.671 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.508 -7.720 8.036 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.567 -8.662 6.960 1.00 0.00 H new ATOM 1068 N PHE A 72 -4.409 -6.749 5.832 1.00 0.00 N ATOM 1069 CA PHE A 72 -3.767 -5.468 6.101 1.00 0.00 C ATOM 1070 C PHE A 72 -4.725 -4.519 6.816 1.00 0.00 C ATOM 1071 O PHE A 72 -5.893 -4.844 7.033 1.00 0.00 O ATOM 1072 CB PHE A 72 -3.281 -4.833 4.796 1.00 0.00 C ATOM 1073 CG PHE A 72 -1.933 -5.326 4.355 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -1.583 -6.657 4.511 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -1.016 -4.458 3.785 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -0.343 -7.115 4.106 1.00 0.00 C ATOM 1077 CE2 PHE A 72 0.225 -4.910 3.377 1.00 0.00 C ATOM 1078 CZ PHE A 72 0.562 -6.240 3.539 1.00 0.00 C ATOM 0 H PHE A 72 -5.002 -6.757 5.002 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.910 -5.648 6.750 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.008 -5.036 4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.240 -3.751 4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.287 -7.345 4.954 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.273 -3.417 3.658 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.083 -8.155 4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.931 -4.224 2.932 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.532 -6.595 3.223 1.00 0.00 H new ATOM 1088 N THR A 73 -4.222 -3.344 7.181 1.00 0.00 N ATOM 1089 CA THR A 73 -5.031 -2.348 7.872 1.00 0.00 C ATOM 1090 C THR A 73 -4.538 -0.936 7.575 1.00 0.00 C ATOM 1091 O THR A 73 -3.338 -0.667 7.611 1.00 0.00 O ATOM 1092 CB THR A 73 -5.018 -2.574 9.396 1.00 0.00 C ATOM 1093 OG1 THR A 73 -3.689 -2.873 9.836 1.00 0.00 O ATOM 1094 CG2 THR A 73 -5.954 -3.709 9.783 1.00 0.00 C ATOM 0 H THR A 73 -3.258 -3.059 7.009 1.00 0.00 H new ATOM 0 HA THR A 73 -6.051 -2.458 7.504 1.00 0.00 H new ATOM 0 HB THR A 73 -5.363 -1.660 9.879 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.689 -3.014 10.806 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.928 -3.850 10.864 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.970 -3.464 9.473 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.636 -4.627 9.290 1.00 0.00 H new ATOM 1102 N PHE A 74 -5.473 -0.038 7.282 1.00 0.00 N ATOM 1103 CA PHE A 74 -5.133 1.347 6.978 1.00 0.00 C ATOM 1104 C PHE A 74 -5.614 2.281 8.085 1.00 0.00 C ATOM 1105 O PHE A 74 -6.629 2.022 8.732 1.00 0.00 O ATOM 1106 CB PHE A 74 -5.748 1.764 5.640 1.00 0.00 C ATOM 1107 CG PHE A 74 -7.204 2.121 5.735 1.00 0.00 C ATOM 1108 CD1 PHE A 74 -7.595 3.418 6.027 1.00 0.00 C ATOM 1109 CD2 PHE A 74 -8.181 1.160 5.533 1.00 0.00 C ATOM 1110 CE1 PHE A 74 -8.934 3.749 6.115 1.00 0.00 C ATOM 1111 CE2 PHE A 74 -9.522 1.485 5.620 1.00 0.00 C ATOM 1112 CZ PHE A 74 -9.899 2.781 5.911 1.00 0.00 C ATOM 0 H PHE A 74 -6.471 -0.245 7.249 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.048 1.422 6.910 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.197 2.619 5.247 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.627 0.951 4.925 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.845 4.179 6.188 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.892 0.145 5.305 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.226 4.763 6.343 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.274 0.726 5.461 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.946 3.038 5.979 1.00 0.00 H new ATOM 1122 N ARG A 75 -4.878 3.367 8.296 1.00 0.00 N ATOM 1123 CA ARG A 75 -5.228 4.338 9.325 1.00 0.00 C ATOM 1124 C ARG A 75 -5.897 5.564 8.711 1.00 0.00 C ATOM 1125 O ARG A 75 -5.957 5.703 7.490 1.00 0.00 O ATOM 1126 CB ARG A 75 -3.980 4.761 10.103 1.00 0.00 C ATOM 1127 CG ARG A 75 -3.753 3.959 11.374 1.00 0.00 C ATOM 1128 CD ARG A 75 -3.114 4.808 12.462 1.00 0.00 C ATOM 1129 NE ARG A 75 -2.916 4.055 13.697 1.00 0.00 N ATOM 1130 CZ ARG A 75 -2.514 4.606 14.837 1.00 0.00 C ATOM 1131 NH1 ARG A 75 -2.271 5.908 14.899 1.00 0.00 N ATOM 1132 NH2 ARG A 75 -2.357 3.855 15.920 1.00 0.00 N ATOM 0 H ARG A 75 -4.036 3.596 7.768 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.932 3.866 10.010 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.108 4.658 9.458 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.063 5.817 10.360 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.704 3.564 11.731 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.114 3.103 11.156 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.154 5.186 12.110 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.744 5.675 12.663 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.096 3.051 13.684 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.393 6.490 14.070 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.962 6.328 15.776 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.545 2.853 15.878 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.048 4.279 16.795 1.00 0.00 H new ATOM 1146 N GLU A 76 -6.398 6.450 9.566 1.00 0.00 N ATOM 1147 CA GLU A 76 -7.064 7.663 9.107 1.00 0.00 C ATOM 1148 C GLU A 76 -6.379 8.906 9.669 1.00 0.00 C ATOM 1149 O GLU A 76 -5.541 8.815 10.566 1.00 0.00 O ATOM 1150 CB GLU A 76 -8.537 7.649 9.517 1.00 0.00 C ATOM 1151 CG GLU A 76 -9.431 6.887 8.553 1.00 0.00 C ATOM 1152 CD GLU A 76 -10.869 7.365 8.588 1.00 0.00 C ATOM 1153 OE1 GLU A 76 -11.191 8.332 7.866 1.00 0.00 O ATOM 1154 OE2 GLU A 76 -11.673 6.772 9.337 1.00 0.00 O ATOM 0 H GLU A 76 -6.355 6.350 10.580 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.998 7.694 8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.625 7.205 10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.893 8.676 9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.041 6.994 7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.399 5.825 8.796 1.00 0.00 H new ATOM 1161 N LYS A 77 -6.742 10.067 9.134 1.00 0.00 N ATOM 1162 CA LYS A 77 -6.165 11.329 9.581 1.00 0.00 C ATOM 1163 C LYS A 77 -6.177 11.424 11.103 1.00 0.00 C ATOM 1164 O LYS A 77 -6.885 10.674 11.775 1.00 0.00 O ATOM 1165 CB LYS A 77 -6.935 12.506 8.979 1.00 0.00 C ATOM 1166 CG LYS A 77 -8.422 12.482 9.288 1.00 0.00 C ATOM 1167 CD LYS A 77 -9.049 13.856 9.121 1.00 0.00 C ATOM 1168 CE LYS A 77 -10.561 13.766 8.984 1.00 0.00 C ATOM 1169 NZ LYS A 77 -11.146 15.026 8.448 1.00 0.00 N ATOM 0 H LYS A 77 -7.433 10.160 8.390 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.130 11.368 9.241 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.510 13.437 9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.797 12.505 7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.920 11.771 8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.577 12.132 10.309 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.797 14.479 9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.631 14.343 8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.817 12.937 8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.001 13.546 9.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.178 14.924 8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.924 15.813 9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.745 15.223 7.509 1.00 0.00 H new ATOM 1183 N ARG A 78 -5.391 12.352 11.640 1.00 0.00 N ATOM 1184 CA ARG A 78 -5.312 12.544 13.083 1.00 0.00 C ATOM 1185 C ARG A 78 -6.675 12.331 13.735 1.00 0.00 C ATOM 1186 O ARG A 78 -7.713 12.486 13.092 1.00 0.00 O ATOM 1187 CB ARG A 78 -4.795 13.948 13.403 1.00 0.00 C ATOM 1188 CG ARG A 78 -4.648 14.217 14.892 1.00 0.00 C ATOM 1189 CD ARG A 78 -3.490 13.432 15.488 1.00 0.00 C ATOM 1190 NE ARG A 78 -2.204 14.079 15.240 1.00 0.00 N ATOM 1191 CZ ARG A 78 -1.112 13.843 15.958 1.00 0.00 C ATOM 1192 NH1 ARG A 78 -1.150 12.980 16.963 1.00 0.00 N ATOM 1193 NH2 ARG A 78 0.021 14.472 15.671 1.00 0.00 N ATOM 0 H ARG A 78 -4.800 12.982 11.098 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.617 11.807 13.486 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.828 14.089 12.919 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.476 14.683 12.975 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.489 15.283 15.056 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.572 13.950 15.404 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.640 13.324 16.562 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.478 12.427 15.065 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.141 14.749 14.473 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.019 12.495 17.186 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.310 12.800 17.513 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.053 15.137 14.898 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.859 14.290 16.223 1.00 0.00 H new ATOM 1207 N ASN A 79 -6.663 11.974 15.015 1.00 0.00 N ATOM 1208 CA ASN A 79 -7.898 11.739 15.754 1.00 0.00 C ATOM 1209 C ASN A 79 -8.663 10.554 15.172 1.00 0.00 C ATOM 1210 O ASN A 79 -9.884 10.604 15.025 1.00 0.00 O ATOM 1211 CB ASN A 79 -8.778 12.990 15.730 1.00 0.00 C ATOM 1212 CG ASN A 79 -8.492 13.920 16.893 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -8.825 13.619 18.040 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -7.872 15.058 16.602 1.00 0.00 N ATOM 0 H ASN A 79 -5.812 11.841 15.562 1.00 0.00 H new ATOM 0 HA ASN A 79 -7.636 11.508 16.786 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -8.620 13.525 14.793 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.827 12.694 15.754 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.653 15.724 17.343 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.615 15.266 15.637 1.00 0.00 H new ATOM 1221 N GLN A 80 -7.936 9.492 14.842 1.00 0.00 N ATOM 1222 CA GLN A 80 -8.547 8.295 14.275 1.00 0.00 C ATOM 1223 C GLN A 80 -7.755 7.048 14.656 1.00 0.00 C ATOM 1224 O GLN A 80 -6.798 7.118 15.426 1.00 0.00 O ATOM 1225 CB GLN A 80 -8.635 8.414 12.753 1.00 0.00 C ATOM 1226 CG GLN A 80 -9.368 9.658 12.281 1.00 0.00 C ATOM 1227 CD GLN A 80 -10.818 9.685 12.724 1.00 0.00 C ATOM 1228 OE1 GLN A 80 -11.298 8.754 13.372 1.00 0.00 O ATOM 1229 NE2 GLN A 80 -11.524 10.755 12.378 1.00 0.00 N ATOM 0 H GLN A 80 -6.924 9.435 14.957 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.554 8.202 14.683 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.627 8.417 12.338 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.140 7.533 12.357 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.859 10.542 12.664 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.323 9.710 11.193 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.086 11.503 11.841 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.504 10.829 12.650 1.00 0.00 H new ATOM 1238 N LYS A 81 -8.162 5.906 14.110 1.00 0.00 N ATOM 1239 CA LYS A 81 -7.491 4.643 14.390 1.00 0.00 C ATOM 1240 C LYS A 81 -7.593 3.696 13.199 1.00 0.00 C ATOM 1241 O LYS A 81 -8.466 3.851 12.344 1.00 0.00 O ATOM 1242 CB LYS A 81 -8.096 3.984 15.632 1.00 0.00 C ATOM 1243 CG LYS A 81 -9.615 3.952 15.623 1.00 0.00 C ATOM 1244 CD LYS A 81 -10.143 2.762 14.840 1.00 0.00 C ATOM 1245 CE LYS A 81 -11.575 2.430 15.228 1.00 0.00 C ATOM 1246 NZ LYS A 81 -12.214 1.504 14.253 1.00 0.00 N ATOM 0 H LYS A 81 -8.953 5.830 13.471 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.438 4.854 14.575 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.720 2.964 15.712 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.757 4.519 16.519 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.985 3.908 16.647 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.997 4.875 15.186 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.095 2.977 13.773 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.506 1.896 15.019 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.587 1.978 16.220 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.157 3.350 15.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.189 1.302 14.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.226 1.946 13.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.674 0.616 14.212 1.00 0.00 H new ATOM 1260 N TRP A 82 -6.699 2.716 13.149 1.00 0.00 N ATOM 1261 CA TRP A 82 -6.691 1.743 12.062 1.00 0.00 C ATOM 1262 C TRP A 82 -8.111 1.350 11.672 1.00 0.00 C ATOM 1263 O TRP A 82 -9.037 1.453 12.478 1.00 0.00 O ATOM 1264 CB TRP A 82 -5.898 0.500 12.469 1.00 0.00 C ATOM 1265 CG TRP A 82 -4.477 0.797 12.842 1.00 0.00 C ATOM 1266 CD1 TRP A 82 -3.992 1.037 14.096 1.00 0.00 C ATOM 1267 CD2 TRP A 82 -3.359 0.889 11.953 1.00 0.00 C ATOM 1268 NE1 TRP A 82 -2.639 1.271 14.040 1.00 0.00 N ATOM 1269 CE2 TRP A 82 -2.227 1.186 12.736 1.00 0.00 C ATOM 1270 CE3 TRP A 82 -3.203 0.747 10.571 1.00 0.00 C ATOM 1271 CZ2 TRP A 82 -0.959 1.344 12.183 1.00 0.00 C ATOM 1272 CZ3 TRP A 82 -1.944 0.905 10.023 1.00 0.00 C ATOM 1273 CH2 TRP A 82 -0.835 1.200 10.827 1.00 0.00 C ATOM 0 H TRP A 82 -5.970 2.573 13.848 1.00 0.00 H new ATOM 0 HA TRP A 82 -6.212 2.204 11.198 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.395 0.021 13.313 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -5.908 -0.214 11.646 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -4.585 1.042 14.999 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -2.039 1.475 14.839 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -4.051 0.518 9.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.104 1.572 12.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.813 0.799 8.956 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.136 1.316 10.368 1.00 0.00 H new ATOM 1284 N ARG A 83 -8.278 0.900 10.433 1.00 0.00 N ATOM 1285 CA ARG A 83 -9.587 0.492 9.937 1.00 0.00 C ATOM 1286 C ARG A 83 -9.469 -0.730 9.032 1.00 0.00 C ATOM 1287 O ARG A 83 -8.680 -0.741 8.087 1.00 0.00 O ATOM 1288 CB ARG A 83 -10.248 1.643 9.176 1.00 0.00 C ATOM 1289 CG ARG A 83 -10.128 2.986 9.877 1.00 0.00 C ATOM 1290 CD ARG A 83 -11.321 3.879 9.577 1.00 0.00 C ATOM 1291 NE ARG A 83 -11.398 4.233 8.162 1.00 0.00 N ATOM 1292 CZ ARG A 83 -12.525 4.582 7.551 1.00 0.00 C ATOM 1293 NH1 ARG A 83 -13.664 4.625 8.228 1.00 0.00 N ATOM 1294 NH2 ARG A 83 -12.513 4.890 6.260 1.00 0.00 N ATOM 0 H ARG A 83 -7.523 0.809 9.754 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.207 0.228 10.794 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.798 1.718 8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.303 1.412 9.030 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.050 2.830 10.953 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.211 3.483 9.560 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.238 3.370 9.874 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.253 4.788 10.175 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.539 4.211 7.612 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.677 4.390 9.220 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.528 4.893 7.756 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.638 4.859 5.736 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.379 5.158 5.792 1.00 0.00 H new ATOM 1308 N SER A 84 -10.258 -1.758 9.328 1.00 0.00 N ATOM 1309 CA SER A 84 -10.239 -2.987 8.544 1.00 0.00 C ATOM 1310 C SER A 84 -10.470 -2.691 7.065 1.00 0.00 C ATOM 1311 O SER A 84 -11.052 -1.666 6.708 1.00 0.00 O ATOM 1312 CB SER A 84 -11.305 -3.959 9.053 1.00 0.00 C ATOM 1313 OG SER A 84 -10.837 -4.687 10.175 1.00 0.00 O ATOM 0 H SER A 84 -10.918 -1.764 10.105 1.00 0.00 H new ATOM 0 HA SER A 84 -9.256 -3.445 8.657 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.205 -3.407 9.323 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.582 -4.650 8.257 1.00 0.00 H new ATOM 0 HG SER A 84 -11.537 -5.300 10.482 1.00 0.00 H new