USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=22 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 138:sc= -0.245 USER MOD Set 1.2: A 36 ASN : amide:sc= 0 X(o=-0.14,f=-0.21) USER MOD Set 1.3: A 37 CYS SG : rot -52:sc= -0.532! USER MOD Set 1.4: A 58 CYS SG : rot -128:sc= 0.861 USER MOD Set 1.5: A 61 CYS SG : rot 148:sc= -0.224 USER MOD Set 2.1: A 47 TYR OH : rot 17:sc= 0.00327 USER MOD Set 2.2: A 59 GLN : amide:sc= 0.711 K(o=0.71,f=0) USER MOD Set 3.1: A 49 CYS SG : rot -157:sc= -0.37 USER MOD Set 3.2: A 52 CYS SG : rot 136:sc= 1.01 USER MOD Set 3.3: A 55 TYR OH : rot 30:sc= 0.135 USER MOD Set 3.4: A 67 HIS : no HE2:sc= -9.6! C(o=-9!,f=-11!) USER MOD Set 3.5: A 70 HIS : no HD1:sc= -0.202 X(o=-9,f=-8.9) USER MOD Set 4.1: A 35 ASN : amide:sc= 0.204 K(o=-3.9,f=-7.2!) USER MOD Set 4.2: A 56 HIS : no HD1:sc= -4.07 K(o=-3.9,f=-6!) USER MOD Single : A 38 LYS NZ :NH3+ -178:sc= 0.29 (180deg=0.285) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= -0.83! (180deg=-2.12!) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= -0.131 (180deg=-1.14) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 64 SER OG : rot -90:sc= 1.21 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : 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 85:sc= 0.368 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.18! C(o=-1.2!,f=-1.7!) USER MOD Single : A 80 GLN : amide:sc= -2.67 K(o=-2.7,f=-8.4!) USER MOD Single : A 81 LYS NZ :NH3+ -166:sc=-0.00141 (180deg=-0.0674) USER MOD Single : A 84 SER OG : rot 39:sc= 0.377 USER MOD ----------------------------------------------------------------- ATOM 426 N LEU A 30 4.111 11.240 9.577 1.00 0.00 N ATOM 427 CA LEU A 30 5.331 10.440 9.590 1.00 0.00 C ATOM 428 C LEU A 30 5.006 8.952 9.667 1.00 0.00 C ATOM 429 O LEU A 30 5.621 8.135 8.982 1.00 0.00 O ATOM 430 CB LEU A 30 6.215 10.841 10.773 1.00 0.00 C ATOM 431 CG LEU A 30 6.869 12.221 10.685 1.00 0.00 C ATOM 432 CD1 LEU A 30 7.909 12.248 9.576 1.00 0.00 C ATOM 433 CD2 LEU A 30 5.816 13.296 10.458 1.00 0.00 C ATOM 0 HA LEU A 30 5.869 10.629 8.661 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.612 10.804 11.680 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.002 10.095 10.882 1.00 0.00 H new ATOM 0 HG LEU A 30 7.371 12.426 11.631 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.364 13.237 9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.679 11.504 9.781 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.431 12.022 8.623 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.299 14.271 10.398 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.286 13.095 9.527 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.108 13.292 11.287 1.00 0.00 H new ATOM 445 N GLY A 31 4.031 8.606 10.503 1.00 0.00 N ATOM 446 CA GLY A 31 3.639 7.217 10.651 1.00 0.00 C ATOM 447 C GLY A 31 4.794 6.261 10.428 1.00 0.00 C ATOM 448 O GLY A 31 5.739 6.225 11.216 1.00 0.00 O ATOM 0 H GLY A 31 3.506 9.263 11.080 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.231 7.062 11.650 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.842 6.990 9.943 1.00 0.00 H new ATOM 452 N ILE A 32 4.718 5.484 9.352 1.00 0.00 N ATOM 453 CA ILE A 32 5.765 4.524 9.029 1.00 0.00 C ATOM 454 C ILE A 32 5.984 4.435 7.522 1.00 0.00 C ATOM 455 O ILE A 32 5.039 4.428 6.732 1.00 0.00 O ATOM 456 CB ILE A 32 5.430 3.122 9.571 1.00 0.00 C ATOM 457 CG1 ILE A 32 5.254 3.167 11.090 1.00 0.00 C ATOM 458 CG2 ILE A 32 6.519 2.131 9.188 1.00 0.00 C ATOM 459 CD1 ILE A 32 4.313 2.108 11.621 1.00 0.00 C ATOM 0 H ILE A 32 3.942 5.501 8.690 1.00 0.00 H new ATOM 0 HA ILE A 32 6.678 4.881 9.506 1.00 0.00 H new ATOM 0 HB ILE A 32 4.492 2.791 9.125 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.228 3.047 11.564 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.880 4.150 11.375 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.267 1.145 9.578 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.600 2.081 8.102 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.471 2.456 9.609 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.236 2.200 12.704 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.327 2.240 11.175 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.697 1.120 11.367 1.00 0.00 H new ATOM 471 N PRO A 33 7.259 4.364 7.113 1.00 0.00 N ATOM 472 CA PRO A 33 7.632 4.272 5.698 1.00 0.00 C ATOM 473 C PRO A 33 7.258 2.927 5.086 1.00 0.00 C ATOM 474 O PRO A 33 6.960 1.969 5.801 1.00 0.00 O ATOM 475 CB PRO A 33 9.153 4.445 5.720 1.00 0.00 C ATOM 476 CG PRO A 33 9.565 3.996 7.080 1.00 0.00 C ATOM 477 CD PRO A 33 8.435 4.368 7.999 1.00 0.00 C ATOM 0 HA PRO A 33 7.113 5.014 5.091 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.631 3.847 4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.436 5.483 5.543 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.745 2.921 7.098 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.492 4.480 7.386 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.327 3.652 8.813 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.592 5.346 8.454 1.00 0.00 H new ATOM 485 N CYS A 34 7.276 2.860 3.759 1.00 0.00 N ATOM 486 CA CYS A 34 6.938 1.632 3.050 1.00 0.00 C ATOM 487 C CYS A 34 8.058 0.603 3.181 1.00 0.00 C ATOM 488 O CYS A 34 9.227 0.958 3.322 1.00 0.00 O ATOM 489 CB CYS A 34 6.673 1.927 1.573 1.00 0.00 C ATOM 490 SG CYS A 34 5.833 0.577 0.684 1.00 0.00 S ATOM 0 H CYS A 34 7.521 3.643 3.153 1.00 0.00 H new ATOM 0 HA CYS A 34 6.034 1.220 3.499 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.067 2.830 1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.622 2.137 1.080 1.00 0.00 H new ATOM 0 HG CYS A 34 4.923 1.074 -0.100 1.00 0.00 H new ATOM 495 N ASN A 35 7.690 -0.673 3.134 1.00 0.00 N ATOM 496 CA ASN A 35 8.662 -1.754 3.248 1.00 0.00 C ATOM 497 C ASN A 35 9.089 -2.249 1.869 1.00 0.00 C ATOM 498 O ASN A 35 10.069 -2.981 1.737 1.00 0.00 O ATOM 499 CB ASN A 35 8.077 -2.912 4.059 1.00 0.00 C ATOM 500 CG ASN A 35 8.338 -2.766 5.546 1.00 0.00 C ATOM 501 OD1 ASN A 35 7.688 -1.972 6.226 1.00 0.00 O ATOM 502 ND2 ASN A 35 9.294 -3.533 6.056 1.00 0.00 N ATOM 0 H ASN A 35 6.725 -0.984 3.018 1.00 0.00 H new ATOM 0 HA ASN A 35 9.540 -1.366 3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.002 -2.967 3.885 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.505 -3.851 3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.516 -3.478 7.050 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.807 -4.177 5.454 1.00 0.00 H new ATOM 509 N ASN A 36 8.345 -1.844 0.844 1.00 0.00 N ATOM 510 CA ASN A 36 8.647 -2.246 -0.525 1.00 0.00 C ATOM 511 C ASN A 36 9.423 -1.154 -1.254 1.00 0.00 C ATOM 512 O ASN A 36 10.625 -1.283 -1.489 1.00 0.00 O ATOM 513 CB ASN A 36 7.355 -2.561 -1.282 1.00 0.00 C ATOM 514 CG ASN A 36 7.598 -3.415 -2.511 1.00 0.00 C ATOM 515 OD1 ASN A 36 7.881 -4.609 -2.404 1.00 0.00 O ATOM 516 ND2 ASN A 36 7.490 -2.806 -3.686 1.00 0.00 N ATOM 0 H ASN A 36 7.529 -1.238 0.936 1.00 0.00 H new ATOM 0 HA ASN A 36 9.266 -3.142 -0.486 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.663 -3.077 -0.616 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.875 -1.629 -1.580 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.644 -3.330 -4.548 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.253 -1.815 -3.727 1.00 0.00 H new ATOM 523 N CYS A 37 8.729 -0.079 -1.610 1.00 0.00 N ATOM 524 CA CYS A 37 9.352 1.036 -2.312 1.00 0.00 C ATOM 525 C CYS A 37 10.142 1.915 -1.346 1.00 0.00 C ATOM 526 O CYS A 37 11.003 2.692 -1.758 1.00 0.00 O ATOM 527 CB CYS A 37 8.289 1.873 -3.027 1.00 0.00 C ATOM 528 SG CYS A 37 7.163 2.762 -1.905 1.00 0.00 S ATOM 0 H CYS A 37 7.734 0.044 -1.424 1.00 0.00 H new ATOM 0 HA CYS A 37 10.042 0.628 -3.051 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.786 2.596 -3.674 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.701 1.220 -3.672 1.00 0.00 H new ATOM 0 HG CYS A 37 6.665 1.929 -1.040 1.00 0.00 H new ATOM 533 N LYS A 38 9.842 1.785 -0.058 1.00 0.00 N ATOM 534 CA LYS A 38 10.524 2.565 0.968 1.00 0.00 C ATOM 535 C LYS A 38 10.269 4.057 0.778 1.00 0.00 C ATOM 536 O LYS A 38 11.172 4.875 0.943 1.00 0.00 O ATOM 537 CB LYS A 38 12.028 2.286 0.935 1.00 0.00 C ATOM 538 CG LYS A 38 12.403 0.910 1.459 1.00 0.00 C ATOM 539 CD LYS A 38 11.972 -0.188 0.502 1.00 0.00 C ATOM 540 CE LYS A 38 12.890 -1.397 0.591 1.00 0.00 C ATOM 541 NZ LYS A 38 12.922 -1.970 1.966 1.00 0.00 N ATOM 0 H LYS A 38 9.131 1.147 0.300 1.00 0.00 H new ATOM 0 HA LYS A 38 10.126 2.267 1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.385 2.385 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.543 3.043 1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.481 0.859 1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.936 0.750 2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.949 -0.489 0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.972 0.196 -0.518 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.555 -2.159 -0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.899 -1.110 0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.585 -2.771 1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.233 -1.241 2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.971 -2.299 2.227 1.00 0.00 H new ATOM 555 N GLN A 39 9.033 4.402 0.431 1.00 0.00 N ATOM 556 CA GLN A 39 8.660 5.795 0.219 1.00 0.00 C ATOM 557 C GLN A 39 8.432 6.506 1.549 1.00 0.00 C ATOM 558 O GLN A 39 7.569 6.113 2.335 1.00 0.00 O ATOM 559 CB GLN A 39 7.399 5.883 -0.642 1.00 0.00 C ATOM 560 CG GLN A 39 7.052 7.299 -1.070 1.00 0.00 C ATOM 561 CD GLN A 39 6.287 7.343 -2.379 1.00 0.00 C ATOM 562 OE1 GLN A 39 6.862 7.162 -3.453 1.00 0.00 O ATOM 563 NE2 GLN A 39 4.984 7.583 -2.295 1.00 0.00 N ATOM 0 H GLN A 39 8.273 3.736 0.291 1.00 0.00 H new ATOM 0 HA GLN A 39 9.481 6.289 -0.301 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.532 5.266 -1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.560 5.464 -0.086 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.457 7.775 -0.290 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.969 7.879 -1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.550 7.727 -1.383 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.417 7.623 -3.142 1.00 0.00 H new ATOM 572 N PHE A 40 9.212 7.553 1.796 1.00 0.00 N ATOM 573 CA PHE A 40 9.096 8.318 3.032 1.00 0.00 C ATOM 574 C PHE A 40 9.398 9.794 2.789 1.00 0.00 C ATOM 575 O PHE A 40 10.443 10.159 2.250 1.00 0.00 O ATOM 576 CB PHE A 40 10.046 7.760 4.093 1.00 0.00 C ATOM 577 CG PHE A 40 9.515 7.877 5.494 1.00 0.00 C ATOM 578 CD1 PHE A 40 8.219 7.489 5.793 1.00 0.00 C ATOM 579 CD2 PHE A 40 10.313 8.376 6.511 1.00 0.00 C ATOM 580 CE1 PHE A 40 7.728 7.595 7.081 1.00 0.00 C ATOM 581 CE2 PHE A 40 9.828 8.484 7.801 1.00 0.00 C ATOM 582 CZ PHE A 40 8.534 8.095 8.086 1.00 0.00 C ATOM 0 H PHE A 40 9.931 7.891 1.157 1.00 0.00 H new ATOM 0 HA PHE A 40 8.070 8.229 3.390 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.246 6.711 3.875 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.999 8.286 4.029 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.585 7.099 5.011 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.325 8.684 6.293 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.716 7.288 7.301 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.461 8.872 8.585 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.153 8.181 9.093 1.00 0.00 H new ATOM 592 N PRO A 41 8.461 10.664 3.195 1.00 0.00 N ATOM 593 CA PRO A 41 7.213 10.241 3.836 1.00 0.00 C ATOM 594 C PRO A 41 6.274 9.532 2.867 1.00 0.00 C ATOM 595 O PRO A 41 6.449 9.608 1.650 1.00 0.00 O ATOM 596 CB PRO A 41 6.595 11.558 4.312 1.00 0.00 C ATOM 597 CG PRO A 41 7.160 12.593 3.402 1.00 0.00 C ATOM 598 CD PRO A 41 8.548 12.128 3.057 1.00 0.00 C ATOM 0 HA PRO A 41 7.390 9.523 4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.507 11.529 4.252 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.851 11.763 5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.550 12.699 2.505 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.185 13.568 3.888 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.830 12.420 2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.293 12.552 3.731 1.00 0.00 H new ATOM 606 N ILE A 42 5.277 8.843 3.412 1.00 0.00 N ATOM 607 CA ILE A 42 4.310 8.121 2.595 1.00 0.00 C ATOM 608 C ILE A 42 3.124 9.010 2.234 1.00 0.00 C ATOM 609 O ILE A 42 2.155 9.102 2.987 1.00 0.00 O ATOM 610 CB ILE A 42 3.794 6.861 3.314 1.00 0.00 C ATOM 611 CG1 ILE A 42 4.920 5.838 3.467 1.00 0.00 C ATOM 612 CG2 ILE A 42 2.623 6.258 2.551 1.00 0.00 C ATOM 613 CD1 ILE A 42 4.454 4.502 4.003 1.00 0.00 C ATOM 0 H ILE A 42 5.118 8.770 4.417 1.00 0.00 H new ATOM 0 HA ILE A 42 4.827 7.822 1.684 1.00 0.00 H new ATOM 0 HB ILE A 42 3.448 7.144 4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.396 5.686 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.680 6.243 4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.269 5.368 3.071 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.815 6.987 2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.945 5.986 1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.305 3.826 4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.005 4.641 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.716 4.075 3.324 1.00 0.00 H new ATOM 625 N GLU A 43 3.208 9.659 1.077 1.00 0.00 N ATOM 626 CA GLU A 43 2.140 10.539 0.617 1.00 0.00 C ATOM 627 C GLU A 43 0.773 9.900 0.843 1.00 0.00 C ATOM 628 O GLU A 43 -0.086 10.468 1.517 1.00 0.00 O ATOM 629 CB GLU A 43 2.323 10.867 -0.866 1.00 0.00 C ATOM 630 CG GLU A 43 3.673 11.483 -1.192 1.00 0.00 C ATOM 631 CD GLU A 43 3.665 12.996 -1.082 1.00 0.00 C ATOM 632 OE1 GLU A 43 3.134 13.655 -2.000 1.00 0.00 O ATOM 633 OE2 GLU A 43 4.190 13.520 -0.077 1.00 0.00 O ATOM 0 H GLU A 43 4.003 9.592 0.442 1.00 0.00 H new ATOM 0 HA GLU A 43 2.190 11.462 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.199 9.954 -1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.535 11.553 -1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.426 11.077 -0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.964 11.197 -2.203 1.00 0.00 H new ATOM 640 N GLY A 44 0.579 8.714 0.275 1.00 0.00 N ATOM 641 CA GLY A 44 -0.685 8.017 0.425 1.00 0.00 C ATOM 642 C GLY A 44 -0.915 7.531 1.842 1.00 0.00 C ATOM 643 O GLY A 44 -0.189 7.910 2.762 1.00 0.00 O ATOM 0 H GLY A 44 1.275 8.223 -0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.499 8.681 0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.710 7.166 -0.256 1.00 0.00 H new ATOM 647 N LYS A 45 -1.928 6.691 2.021 1.00 0.00 N ATOM 648 CA LYS A 45 -2.253 6.152 3.336 1.00 0.00 C ATOM 649 C LYS A 45 -1.113 5.288 3.867 1.00 0.00 C ATOM 650 O LYS A 45 -0.095 5.107 3.197 1.00 0.00 O ATOM 651 CB LYS A 45 -3.541 5.329 3.269 1.00 0.00 C ATOM 652 CG LYS A 45 -4.797 6.143 3.532 1.00 0.00 C ATOM 653 CD LYS A 45 -5.013 6.368 5.019 1.00 0.00 C ATOM 654 CE LYS A 45 -5.812 7.636 5.280 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.368 8.326 6.523 1.00 0.00 N ATOM 0 H LYS A 45 -2.539 6.368 1.271 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.399 6.990 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.617 4.868 2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.484 4.520 3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.722 7.105 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.661 5.628 3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.537 5.512 5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.048 6.434 5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.707 8.312 4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.870 7.388 5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.119 8.966 6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.168 7.620 7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.507 8.875 6.327 1.00 0.00 H new ATOM 669 N CYS A 46 -1.291 4.756 5.071 1.00 0.00 N ATOM 670 CA CYS A 46 -0.277 3.910 5.691 1.00 0.00 C ATOM 671 C CYS A 46 -0.821 2.509 5.947 1.00 0.00 C ATOM 672 O CYS A 46 -1.644 2.304 6.839 1.00 0.00 O ATOM 673 CB CYS A 46 0.203 4.532 7.003 1.00 0.00 C ATOM 674 SG CYS A 46 1.547 5.725 6.807 1.00 0.00 S ATOM 0 H CYS A 46 -2.128 4.895 5.637 1.00 0.00 H new ATOM 0 HA CYS A 46 0.566 3.833 5.005 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -0.639 5.026 7.488 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.533 3.736 7.671 1.00 0.00 H new ATOM 0 HG CYS A 46 1.881 6.197 7.971 1.00 0.00 H new ATOM 680 N TYR A 47 -0.356 1.546 5.157 1.00 0.00 N ATOM 681 CA TYR A 47 -0.799 0.164 5.296 1.00 0.00 C ATOM 682 C TYR A 47 0.191 -0.644 6.129 1.00 0.00 C ATOM 683 O TYR A 47 1.374 -0.312 6.204 1.00 0.00 O ATOM 684 CB TYR A 47 -0.969 -0.479 3.918 1.00 0.00 C ATOM 685 CG TYR A 47 -2.167 0.035 3.153 1.00 0.00 C ATOM 686 CD1 TYR A 47 -2.313 1.390 2.881 1.00 0.00 C ATOM 687 CD2 TYR A 47 -3.153 -0.833 2.702 1.00 0.00 C ATOM 688 CE1 TYR A 47 -3.406 1.864 2.182 1.00 0.00 C ATOM 689 CE2 TYR A 47 -4.249 -0.368 2.001 1.00 0.00 C ATOM 690 CZ TYR A 47 -4.371 0.982 1.745 1.00 0.00 C ATOM 691 OH TYR A 47 -5.461 1.450 1.048 1.00 0.00 O ATOM 0 H TYR A 47 0.327 1.698 4.415 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.760 0.166 5.810 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.069 -0.300 3.330 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.062 -1.558 4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.559 2.084 3.222 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.061 -1.890 2.903 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.504 2.920 1.979 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.005 -1.057 1.656 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.275 2.354 0.717 1.00 0.00 H new ATOM 701 N LYS A 48 -0.302 -1.709 6.752 1.00 0.00 N ATOM 702 CA LYS A 48 0.537 -2.569 7.579 1.00 0.00 C ATOM 703 C LYS A 48 -0.063 -3.966 7.695 1.00 0.00 C ATOM 704 O LYS A 48 -1.270 -4.121 7.883 1.00 0.00 O ATOM 705 CB LYS A 48 0.711 -1.959 8.972 1.00 0.00 C ATOM 706 CG LYS A 48 -0.497 -2.149 9.874 1.00 0.00 C ATOM 707 CD LYS A 48 -0.266 -1.544 11.248 1.00 0.00 C ATOM 708 CE LYS A 48 0.317 -2.563 12.215 1.00 0.00 C ATOM 709 NZ LYS A 48 1.785 -2.731 12.025 1.00 0.00 N ATOM 0 H LYS A 48 -1.279 -1.998 6.700 1.00 0.00 H new ATOM 0 HA LYS A 48 1.513 -2.651 7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.584 -2.405 9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.914 -0.893 8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.372 -1.688 9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.713 -3.213 9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.410 -0.693 11.163 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.208 -1.164 11.643 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.117 -2.248 13.239 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.180 -3.523 12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.220 -3.021 12.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.961 -3.460 11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.200 -1.830 11.714 1.00 0.00 H new ATOM 723 N CYS A 49 0.787 -4.981 7.583 1.00 0.00 N ATOM 724 CA CYS A 49 0.342 -6.366 7.676 1.00 0.00 C ATOM 725 C CYS A 49 0.177 -6.788 9.133 1.00 0.00 C ATOM 726 O CYS A 49 1.088 -6.623 9.946 1.00 0.00 O ATOM 727 CB CYS A 49 1.337 -7.292 6.975 1.00 0.00 C ATOM 728 SG CYS A 49 0.765 -9.014 6.814 1.00 0.00 S ATOM 0 H CYS A 49 1.789 -4.870 7.428 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.626 -6.444 7.182 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.547 -6.896 5.981 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.277 -7.283 7.527 1.00 0.00 H new ATOM 0 HG CYS A 49 1.791 -9.802 6.684 1.00 0.00 H new ATOM 733 N THR A 50 -0.990 -7.334 9.458 1.00 0.00 N ATOM 734 CA THR A 50 -1.275 -7.779 10.816 1.00 0.00 C ATOM 735 C THR A 50 -0.866 -9.233 11.016 1.00 0.00 C ATOM 736 O THR A 50 -1.124 -9.822 12.065 1.00 0.00 O ATOM 737 CB THR A 50 -2.770 -7.627 11.155 1.00 0.00 C ATOM 738 OG1 THR A 50 -3.529 -8.641 10.487 1.00 0.00 O ATOM 739 CG2 THR A 50 -3.281 -6.253 10.748 1.00 0.00 C ATOM 0 H THR A 50 -1.754 -7.479 8.798 1.00 0.00 H new ATOM 0 HA THR A 50 -0.692 -7.146 11.484 1.00 0.00 H new ATOM 0 HB THR A 50 -2.888 -7.736 12.233 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.478 -8.539 10.709 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.339 -6.170 10.997 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.721 -5.484 11.280 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.150 -6.119 9.674 1.00 0.00 H new ATOM 747 N GLU A 51 -0.225 -9.807 10.002 1.00 0.00 N ATOM 748 CA GLU A 51 0.220 -11.194 10.068 1.00 0.00 C ATOM 749 C GLU A 51 1.743 -11.281 10.002 1.00 0.00 C ATOM 750 O GLU A 51 2.344 -12.235 10.498 1.00 0.00 O ATOM 751 CB GLU A 51 -0.397 -12.006 8.928 1.00 0.00 C ATOM 752 CG GLU A 51 -1.916 -12.036 8.955 1.00 0.00 C ATOM 753 CD GLU A 51 -2.486 -13.300 8.342 1.00 0.00 C ATOM 754 OE1 GLU A 51 -1.770 -14.323 8.319 1.00 0.00 O ATOM 755 OE2 GLU A 51 -3.648 -13.267 7.885 1.00 0.00 O ATOM 0 H GLU A 51 -0.003 -9.333 9.126 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.110 -11.609 11.020 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.067 -11.589 7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.021 -13.028 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.259 -11.950 9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.302 -11.170 8.418 1.00 0.00 H new ATOM 762 N CYS A 52 2.360 -10.279 9.386 1.00 0.00 N ATOM 763 CA CYS A 52 3.811 -10.240 9.253 1.00 0.00 C ATOM 764 C CYS A 52 4.439 -9.425 10.380 1.00 0.00 C ATOM 765 O CYS A 52 3.747 -8.971 11.291 1.00 0.00 O ATOM 766 CB CYS A 52 4.205 -9.646 7.899 1.00 0.00 C ATOM 767 SG CYS A 52 3.948 -10.772 6.491 1.00 0.00 S ATOM 0 H CYS A 52 1.877 -9.482 8.971 1.00 0.00 H new ATOM 0 HA CYS A 52 4.184 -11.262 9.316 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.629 -8.736 7.732 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.256 -9.357 7.933 1.00 0.00 H new ATOM 0 HG CYS A 52 3.399 -10.121 5.509 1.00 0.00 H new ATOM 772 N ILE A 53 5.754 -9.246 10.311 1.00 0.00 N ATOM 773 CA ILE A 53 6.475 -8.485 11.324 1.00 0.00 C ATOM 774 C ILE A 53 7.178 -7.279 10.710 1.00 0.00 C ATOM 775 O ILE A 53 7.857 -7.398 9.691 1.00 0.00 O ATOM 776 CB ILE A 53 7.517 -9.358 12.049 1.00 0.00 C ATOM 777 CG1 ILE A 53 6.859 -10.625 12.599 1.00 0.00 C ATOM 778 CG2 ILE A 53 8.181 -8.571 13.168 1.00 0.00 C ATOM 779 CD1 ILE A 53 5.799 -10.351 13.642 1.00 0.00 C ATOM 0 H ILE A 53 6.342 -9.617 9.565 1.00 0.00 H new ATOM 0 HA ILE A 53 5.734 -8.142 12.046 1.00 0.00 H new ATOM 0 HB ILE A 53 8.285 -9.651 11.333 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.411 -11.179 11.774 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.627 -11.265 13.033 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.914 -9.201 13.671 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.680 -7.696 12.751 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.426 -8.251 13.885 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.376 -11.294 13.987 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.246 -9.824 14.485 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.010 -9.737 13.207 1.00 0.00 H new ATOM 791 N GLU A 54 7.010 -6.120 11.339 1.00 0.00 N ATOM 792 CA GLU A 54 7.630 -4.892 10.853 1.00 0.00 C ATOM 793 C GLU A 54 7.383 -4.712 9.358 1.00 0.00 C ATOM 794 O GLU A 54 8.310 -4.448 8.592 1.00 0.00 O ATOM 795 CB GLU A 54 9.133 -4.908 11.135 1.00 0.00 C ATOM 796 CG GLU A 54 9.478 -4.761 12.608 1.00 0.00 C ATOM 797 CD GLU A 54 10.827 -4.104 12.828 1.00 0.00 C ATOM 798 OE1 GLU A 54 10.998 -2.943 12.399 1.00 0.00 O ATOM 799 OE2 GLU A 54 11.711 -4.749 13.428 1.00 0.00 O ATOM 0 H GLU A 54 6.451 -6.005 12.184 1.00 0.00 H new ATOM 0 HA GLU A 54 7.177 -4.053 11.381 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.554 -5.842 10.763 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.607 -4.101 10.577 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.706 -4.171 13.101 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.476 -5.745 13.078 1.00 0.00 H new ATOM 806 N TYR A 55 6.127 -4.858 8.950 1.00 0.00 N ATOM 807 CA TYR A 55 5.758 -4.715 7.547 1.00 0.00 C ATOM 808 C TYR A 55 4.752 -3.583 7.361 1.00 0.00 C ATOM 809 O TYR A 55 3.721 -3.537 8.032 1.00 0.00 O ATOM 810 CB TYR A 55 5.173 -6.025 7.016 1.00 0.00 C ATOM 811 CG TYR A 55 5.416 -6.241 5.539 1.00 0.00 C ATOM 812 CD1 TYR A 55 6.557 -6.896 5.092 1.00 0.00 C ATOM 813 CD2 TYR A 55 4.504 -5.791 4.592 1.00 0.00 C ATOM 814 CE1 TYR A 55 6.783 -7.095 3.743 1.00 0.00 C ATOM 815 CE2 TYR A 55 4.722 -5.988 3.242 1.00 0.00 C ATOM 816 CZ TYR A 55 5.863 -6.640 2.823 1.00 0.00 C ATOM 817 OH TYR A 55 6.084 -6.836 1.479 1.00 0.00 O ATOM 0 H TYR A 55 5.348 -5.075 9.571 1.00 0.00 H new ATOM 0 HA TYR A 55 6.659 -4.472 6.983 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.604 -6.858 7.572 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.100 -6.037 7.205 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.279 -7.255 5.810 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.610 -5.279 4.917 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.676 -7.604 3.412 1.00 0.00 H new ATOM 0 HE2 TYR A 55 4.003 -5.633 2.519 1.00 0.00 H new ATOM 0 HH TYR A 55 6.604 -7.656 1.349 1.00 0.00 H new ATOM 827 N HIS A 56 5.060 -2.671 6.444 1.00 0.00 N ATOM 828 CA HIS A 56 4.183 -1.539 6.167 1.00 0.00 C ATOM 829 C HIS A 56 4.242 -1.154 4.692 1.00 0.00 C ATOM 830 O HIS A 56 5.323 -1.021 4.117 1.00 0.00 O ATOM 831 CB HIS A 56 4.573 -0.341 7.035 1.00 0.00 C ATOM 832 CG HIS A 56 4.799 -0.692 8.473 1.00 0.00 C ATOM 833 ND1 HIS A 56 6.008 -1.146 8.956 1.00 0.00 N ATOM 834 CD2 HIS A 56 3.962 -0.651 9.536 1.00 0.00 C ATOM 835 CE1 HIS A 56 5.904 -1.371 10.254 1.00 0.00 C ATOM 836 NE2 HIS A 56 4.672 -1.078 10.631 1.00 0.00 N ATOM 0 H HIS A 56 5.910 -2.694 5.880 1.00 0.00 H new ATOM 0 HA HIS A 56 3.162 -1.835 6.406 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.481 0.109 6.632 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.789 0.413 6.973 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.928 -0.340 9.525 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.692 -1.733 10.897 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.308 -1.156 11.581 1.00 0.00 H new ATOM 844 N LEU A 57 3.074 -0.977 4.085 1.00 0.00 N ATOM 845 CA LEU A 57 2.992 -0.608 2.676 1.00 0.00 C ATOM 846 C LEU A 57 2.282 0.731 2.504 1.00 0.00 C ATOM 847 O LEU A 57 1.680 1.252 3.443 1.00 0.00 O ATOM 848 CB LEU A 57 2.258 -1.693 1.886 1.00 0.00 C ATOM 849 CG LEU A 57 3.087 -2.918 1.497 1.00 0.00 C ATOM 850 CD1 LEU A 57 2.261 -3.875 0.652 1.00 0.00 C ATOM 851 CD2 LEU A 57 4.345 -2.495 0.752 1.00 0.00 C ATOM 0 H LEU A 57 2.170 -1.083 4.546 1.00 0.00 H new ATOM 0 HA LEU A 57 4.007 -0.512 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.405 -2.029 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.860 -1.245 0.976 1.00 0.00 H new ATOM 0 HG LEU A 57 3.385 -3.436 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.867 -4.740 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.390 -4.203 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.932 -3.368 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.923 -3.379 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.068 -1.954 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.947 -1.849 1.391 1.00 0.00 H new ATOM 863 N CYS A 58 2.354 1.282 1.297 1.00 0.00 N ATOM 864 CA CYS A 58 1.717 2.559 1.000 1.00 0.00 C ATOM 865 C CYS A 58 0.574 2.379 0.005 1.00 0.00 C ATOM 866 O CYS A 58 0.648 1.543 -0.895 1.00 0.00 O ATOM 867 CB CYS A 58 2.743 3.547 0.441 1.00 0.00 C ATOM 868 SG CYS A 58 3.556 2.987 -1.090 1.00 0.00 S ATOM 0 H CYS A 58 2.847 0.864 0.508 1.00 0.00 H new ATOM 0 HA CYS A 58 1.308 2.957 1.929 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.248 4.499 0.250 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.505 3.730 1.198 1.00 0.00 H new ATOM 0 HG CYS A 58 4.846 3.070 -0.952 1.00 0.00 H new ATOM 873 N GLN A 59 -0.481 3.169 0.175 1.00 0.00 N ATOM 874 CA GLN A 59 -1.639 3.096 -0.707 1.00 0.00 C ATOM 875 C GLN A 59 -1.219 2.737 -2.129 1.00 0.00 C ATOM 876 O GLN A 59 -1.937 2.033 -2.838 1.00 0.00 O ATOM 877 CB GLN A 59 -2.392 4.428 -0.706 1.00 0.00 C ATOM 878 CG GLN A 59 -3.434 4.538 -1.808 1.00 0.00 C ATOM 879 CD GLN A 59 -4.654 3.677 -1.547 1.00 0.00 C ATOM 880 OE1 GLN A 59 -5.583 4.091 -0.854 1.00 0.00 O ATOM 881 NE2 GLN A 59 -4.657 2.471 -2.102 1.00 0.00 N ATOM 0 H GLN A 59 -0.558 3.867 0.915 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.299 2.313 -0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.881 4.559 0.259 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.675 5.242 -0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.743 5.578 -1.908 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.985 4.247 -2.758 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.865 2.169 -2.669 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.451 1.847 -1.961 1.00 0.00 H new ATOM 890 N GLU A 60 -0.052 3.226 -2.537 1.00 0.00 N ATOM 891 CA GLU A 60 0.462 2.957 -3.875 1.00 0.00 C ATOM 892 C GLU A 60 0.782 1.475 -4.046 1.00 0.00 C ATOM 893 O GLU A 60 0.117 0.767 -4.803 1.00 0.00 O ATOM 894 CB GLU A 60 1.714 3.795 -4.142 1.00 0.00 C ATOM 895 CG GLU A 60 1.901 4.158 -5.606 1.00 0.00 C ATOM 896 CD GLU A 60 2.660 5.458 -5.792 1.00 0.00 C ATOM 897 OE1 GLU A 60 3.907 5.434 -5.717 1.00 0.00 O ATOM 898 OE2 GLU A 60 2.007 6.499 -6.012 1.00 0.00 O ATOM 0 H GLU A 60 0.555 3.810 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.309 3.230 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.661 4.711 -3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.590 3.245 -3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.436 3.354 -6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.925 4.240 -6.084 1.00 0.00 H new ATOM 905 N CYS A 61 1.807 1.011 -3.338 1.00 0.00 N ATOM 906 CA CYS A 61 2.219 -0.385 -3.411 1.00 0.00 C ATOM 907 C CYS A 61 1.027 -1.315 -3.203 1.00 0.00 C ATOM 908 O CYS A 61 1.004 -2.437 -3.710 1.00 0.00 O ATOM 909 CB CYS A 61 3.296 -0.677 -2.365 1.00 0.00 C ATOM 910 SG CYS A 61 4.967 -0.134 -2.846 1.00 0.00 S ATOM 0 H CYS A 61 2.368 1.583 -2.707 1.00 0.00 H new ATOM 0 HA CYS A 61 2.630 -0.565 -4.405 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.022 -0.188 -1.430 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.316 -1.749 -2.170 1.00 0.00 H new ATOM 0 HG CYS A 61 5.628 0.225 -1.786 1.00 0.00 H new ATOM 915 N PHE A 62 0.037 -0.841 -2.453 1.00 0.00 N ATOM 916 CA PHE A 62 -1.158 -1.629 -2.177 1.00 0.00 C ATOM 917 C PHE A 62 -1.915 -1.939 -3.465 1.00 0.00 C ATOM 918 O PHE A 62 -2.431 -3.042 -3.643 1.00 0.00 O ATOM 919 CB PHE A 62 -2.072 -0.884 -1.202 1.00 0.00 C ATOM 920 CG PHE A 62 -3.079 -1.770 -0.527 1.00 0.00 C ATOM 921 CD1 PHE A 62 -2.714 -2.557 0.554 1.00 0.00 C ATOM 922 CD2 PHE A 62 -4.390 -1.817 -0.973 1.00 0.00 C ATOM 923 CE1 PHE A 62 -3.639 -3.374 1.177 1.00 0.00 C ATOM 924 CE2 PHE A 62 -5.318 -2.632 -0.354 1.00 0.00 C ATOM 925 CZ PHE A 62 -4.942 -3.412 0.722 1.00 0.00 C ATOM 0 H PHE A 62 0.039 0.085 -2.026 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.845 -2.570 -1.725 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.460 -0.399 -0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.597 -0.095 -1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.696 -2.532 0.914 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.690 -1.210 -1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.343 -3.982 2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.337 -2.659 -0.711 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.666 -4.050 1.207 1.00 0.00 H new ATOM 935 N ASP A 63 -1.976 -0.958 -4.358 1.00 0.00 N ATOM 936 CA ASP A 63 -2.669 -1.125 -5.631 1.00 0.00 C ATOM 937 C ASP A 63 -2.074 -2.283 -6.426 1.00 0.00 C ATOM 938 O ASP A 63 -2.701 -2.803 -7.348 1.00 0.00 O ATOM 939 CB ASP A 63 -2.595 0.164 -6.450 1.00 0.00 C ATOM 940 CG ASP A 63 -3.063 -0.029 -7.878 1.00 0.00 C ATOM 941 OD1 ASP A 63 -4.080 -0.726 -8.081 1.00 0.00 O ATOM 942 OD2 ASP A 63 -2.414 0.517 -8.794 1.00 0.00 O ATOM 0 H ASP A 63 -1.554 -0.039 -4.225 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.714 -1.352 -5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.205 0.930 -5.972 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.568 0.530 -6.454 1.00 0.00 H new ATOM 947 N SER A 64 -0.858 -2.680 -6.063 1.00 0.00 N ATOM 948 CA SER A 64 -0.175 -3.773 -6.746 1.00 0.00 C ATOM 949 C SER A 64 -0.909 -5.093 -6.527 1.00 0.00 C ATOM 950 O SER A 64 -0.842 -5.998 -7.359 1.00 0.00 O ATOM 951 CB SER A 64 1.267 -3.890 -6.250 1.00 0.00 C ATOM 952 OG SER A 64 1.330 -4.606 -5.029 1.00 0.00 O ATOM 0 H SER A 64 -0.326 -2.261 -5.300 1.00 0.00 H new ATOM 0 HA SER A 64 -0.168 -3.554 -7.814 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.874 -4.394 -7.002 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.690 -2.895 -6.114 1.00 0.00 H new ATOM 0 HG SER A 64 1.244 -3.981 -4.279 1.00 0.00 H new ATOM 958 N TYR A 65 -1.608 -5.194 -5.403 1.00 0.00 N ATOM 959 CA TYR A 65 -2.353 -6.403 -5.072 1.00 0.00 C ATOM 960 C TYR A 65 -1.425 -7.613 -5.006 1.00 0.00 C ATOM 961 O TYR A 65 -1.659 -8.625 -5.668 1.00 0.00 O ATOM 962 CB TYR A 65 -3.454 -6.647 -6.105 1.00 0.00 C ATOM 963 CG TYR A 65 -4.725 -5.876 -5.829 1.00 0.00 C ATOM 964 CD1 TYR A 65 -4.679 -4.552 -5.409 1.00 0.00 C ATOM 965 CD2 TYR A 65 -5.971 -6.470 -5.986 1.00 0.00 C ATOM 966 CE1 TYR A 65 -5.838 -3.843 -5.155 1.00 0.00 C ATOM 967 CE2 TYR A 65 -7.134 -5.769 -5.735 1.00 0.00 C ATOM 968 CZ TYR A 65 -7.062 -4.455 -5.320 1.00 0.00 C ATOM 969 OH TYR A 65 -8.219 -3.754 -5.068 1.00 0.00 O ATOM 0 H TYR A 65 -1.675 -4.453 -4.705 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.808 -6.262 -4.092 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.081 -6.375 -7.092 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.684 -7.712 -6.134 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.722 -4.069 -5.279 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.031 -7.498 -6.310 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.785 -2.815 -4.829 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.094 -6.246 -5.863 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.994 -4.331 -5.234 1.00 0.00 H new ATOM 979 N CYS A 66 -0.374 -7.501 -4.202 1.00 0.00 N ATOM 980 CA CYS A 66 0.590 -8.584 -4.048 1.00 0.00 C ATOM 981 C CYS A 66 0.579 -9.123 -2.621 1.00 0.00 C ATOM 982 O CYS A 66 0.577 -10.335 -2.403 1.00 0.00 O ATOM 983 CB CYS A 66 1.994 -8.101 -4.413 1.00 0.00 C ATOM 984 SG CYS A 66 3.144 -9.430 -4.839 1.00 0.00 S ATOM 0 H CYS A 66 -0.168 -6.671 -3.646 1.00 0.00 H new ATOM 0 HA CYS A 66 0.304 -9.390 -4.724 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.922 -7.413 -5.255 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.402 -7.537 -3.574 1.00 0.00 H new ATOM 0 HG CYS A 66 4.304 -8.922 -5.135 1.00 0.00 H new ATOM 990 N HIS A 67 0.574 -8.213 -1.651 1.00 0.00 N ATOM 991 CA HIS A 67 0.565 -8.597 -0.244 1.00 0.00 C ATOM 992 C HIS A 67 -0.858 -8.612 0.306 1.00 0.00 C ATOM 993 O HIS A 67 -1.111 -9.144 1.388 1.00 0.00 O ATOM 994 CB HIS A 67 1.430 -7.637 0.574 1.00 0.00 C ATOM 995 CG HIS A 67 2.060 -8.273 1.775 1.00 0.00 C ATOM 996 ND1 HIS A 67 3.409 -8.194 2.047 1.00 0.00 N ATOM 997 CD2 HIS A 67 1.516 -9.000 2.779 1.00 0.00 C ATOM 998 CE1 HIS A 67 3.669 -8.847 3.166 1.00 0.00 C ATOM 999 NE2 HIS A 67 2.537 -9.345 3.630 1.00 0.00 N ATOM 0 H HIS A 67 0.576 -7.206 -1.814 1.00 0.00 H new ATOM 0 HA HIS A 67 0.977 -9.603 -0.165 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.214 -7.233 -0.066 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.818 -6.796 0.898 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.099 -7.708 1.474 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.474 -9.260 2.890 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.641 -8.955 3.623 1.00 0.00 H new ATOM 1007 N LEU A 68 -1.783 -8.026 -0.445 1.00 0.00 N ATOM 1008 CA LEU A 68 -3.182 -7.971 -0.033 1.00 0.00 C ATOM 1009 C LEU A 68 -3.635 -9.312 0.535 1.00 0.00 C ATOM 1010 O LEU A 68 -4.512 -9.369 1.396 1.00 0.00 O ATOM 1011 CB LEU A 68 -4.068 -7.580 -1.217 1.00 0.00 C ATOM 1012 CG LEU A 68 -4.356 -6.086 -1.375 1.00 0.00 C ATOM 1013 CD1 LEU A 68 -3.118 -5.353 -1.867 1.00 0.00 C ATOM 1014 CD2 LEU A 68 -5.523 -5.866 -2.327 1.00 0.00 C ATOM 0 H LEU A 68 -1.590 -7.582 -1.343 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.276 -7.216 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.596 -7.937 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.019 -8.105 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.628 -5.682 -0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.342 -4.292 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.309 -5.483 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.815 -5.758 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.714 -4.798 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.280 -6.285 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.412 -6.358 -1.933 1.00 0.00 H new ATOM 1026 N SER A 69 -3.029 -10.390 0.047 1.00 0.00 N ATOM 1027 CA SER A 69 -3.371 -11.732 0.505 1.00 0.00 C ATOM 1028 C SER A 69 -3.565 -11.757 2.018 1.00 0.00 C ATOM 1029 O SER A 69 -4.532 -12.329 2.522 1.00 0.00 O ATOM 1030 CB SER A 69 -2.278 -12.725 0.103 1.00 0.00 C ATOM 1031 OG SER A 69 -2.022 -12.665 -1.290 1.00 0.00 O ATOM 0 H SER A 69 -2.299 -10.360 -0.665 1.00 0.00 H new ATOM 0 HA SER A 69 -4.309 -12.023 0.031 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.363 -12.506 0.654 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.581 -13.735 0.377 1.00 0.00 H new ATOM 0 HG SER A 69 -1.319 -13.307 -1.521 1.00 0.00 H new ATOM 1037 N HIS A 70 -2.638 -11.133 2.737 1.00 0.00 N ATOM 1038 CA HIS A 70 -2.706 -11.082 4.193 1.00 0.00 C ATOM 1039 C HIS A 70 -3.656 -9.981 4.655 1.00 0.00 C ATOM 1040 O HIS A 70 -4.077 -9.137 3.863 1.00 0.00 O ATOM 1041 CB HIS A 70 -1.314 -10.852 4.783 1.00 0.00 C ATOM 1042 CG HIS A 70 -0.516 -12.109 4.942 1.00 0.00 C ATOM 1043 ND1 HIS A 70 0.838 -12.113 5.200 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -0.889 -13.409 4.879 1.00 0.00 C ATOM 1045 CE1 HIS A 70 1.264 -13.360 5.288 1.00 0.00 C ATOM 1046 NE2 HIS A 70 0.235 -14.166 5.097 1.00 0.00 N ATOM 0 H HIS A 70 -1.831 -10.656 2.335 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.088 -12.039 4.547 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.766 -10.162 4.141 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.416 -10.370 5.756 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.885 -13.781 4.692 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.281 -13.668 5.483 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.270 -15.185 5.109 1.00 0.00 H new ATOM 1054 N THR A 71 -3.989 -9.994 5.942 1.00 0.00 N ATOM 1055 CA THR A 71 -4.890 -8.997 6.508 1.00 0.00 C ATOM 1056 C THR A 71 -4.158 -7.689 6.785 1.00 0.00 C ATOM 1057 O THR A 71 -3.319 -7.613 7.683 1.00 0.00 O ATOM 1058 CB THR A 71 -5.532 -9.500 7.815 1.00 0.00 C ATOM 1059 OG1 THR A 71 -6.083 -10.807 7.619 1.00 0.00 O ATOM 1060 CG2 THR A 71 -6.624 -8.548 8.281 1.00 0.00 C ATOM 0 H THR A 71 -3.648 -10.684 6.612 1.00 0.00 H new ATOM 0 HA THR A 71 -5.673 -8.822 5.770 1.00 0.00 H new ATOM 0 HB THR A 71 -4.758 -9.544 8.581 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.488 -11.120 8.455 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.063 -8.923 9.205 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.196 -7.561 8.457 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.396 -8.477 7.515 1.00 0.00 H new ATOM 1068 N PHE A 72 -4.482 -6.660 6.009 1.00 0.00 N ATOM 1069 CA PHE A 72 -3.855 -5.354 6.171 1.00 0.00 C ATOM 1070 C PHE A 72 -4.847 -4.339 6.731 1.00 0.00 C ATOM 1071 O PHE A 72 -6.058 -4.565 6.718 1.00 0.00 O ATOM 1072 CB PHE A 72 -3.304 -4.859 4.832 1.00 0.00 C ATOM 1073 CG PHE A 72 -1.945 -5.407 4.503 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -1.665 -6.753 4.678 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -0.947 -4.577 4.018 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -0.416 -7.260 4.376 1.00 0.00 C ATOM 1077 CE2 PHE A 72 0.304 -5.079 3.714 1.00 0.00 C ATOM 1078 CZ PHE A 72 0.570 -6.422 3.895 1.00 0.00 C ATOM 0 H PHE A 72 -5.175 -6.706 5.262 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.032 -5.460 6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.999 -5.133 4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.253 -3.770 4.849 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.432 -7.413 5.055 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.149 -3.526 3.876 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.211 -8.311 4.516 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.073 -4.422 3.335 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.548 -6.816 3.661 1.00 0.00 H new ATOM 1088 N THR A 73 -4.326 -3.220 7.225 1.00 0.00 N ATOM 1089 CA THR A 73 -5.165 -2.172 7.792 1.00 0.00 C ATOM 1090 C THR A 73 -4.484 -0.811 7.697 1.00 0.00 C ATOM 1091 O THR A 73 -3.283 -0.688 7.942 1.00 0.00 O ATOM 1092 CB THR A 73 -5.505 -2.460 9.266 1.00 0.00 C ATOM 1093 OG1 THR A 73 -4.303 -2.673 10.014 1.00 0.00 O ATOM 1094 CG2 THR A 73 -6.405 -3.681 9.385 1.00 0.00 C ATOM 0 H THR A 73 -3.327 -3.017 7.244 1.00 0.00 H new ATOM 0 HA THR A 73 -6.087 -2.156 7.210 1.00 0.00 H new ATOM 0 HB THR A 73 -6.035 -1.597 9.669 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.938 -1.809 10.299 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.632 -3.865 10.435 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.332 -3.504 8.839 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.897 -4.550 8.966 1.00 0.00 H new ATOM 1102 N PHE A 74 -5.257 0.209 7.339 1.00 0.00 N ATOM 1103 CA PHE A 74 -4.727 1.561 7.211 1.00 0.00 C ATOM 1104 C PHE A 74 -5.183 2.436 8.376 1.00 0.00 C ATOM 1105 O PHE A 74 -6.156 2.120 9.059 1.00 0.00 O ATOM 1106 CB PHE A 74 -5.174 2.183 5.886 1.00 0.00 C ATOM 1107 CG PHE A 74 -6.649 2.459 5.820 1.00 0.00 C ATOM 1108 CD1 PHE A 74 -7.168 3.644 6.316 1.00 0.00 C ATOM 1109 CD2 PHE A 74 -7.516 1.534 5.263 1.00 0.00 C ATOM 1110 CE1 PHE A 74 -8.525 3.900 6.257 1.00 0.00 C ATOM 1111 CE2 PHE A 74 -8.874 1.784 5.201 1.00 0.00 C ATOM 1112 CZ PHE A 74 -9.379 2.970 5.698 1.00 0.00 C ATOM 0 H PHE A 74 -6.252 0.125 7.132 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.639 1.502 7.228 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.631 3.115 5.730 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.901 1.514 5.070 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.505 4.376 6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.126 0.606 4.872 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.917 4.827 6.648 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.539 1.053 4.765 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.439 3.169 5.649 1.00 0.00 H new ATOM 1122 N ARG A 75 -4.471 3.537 8.595 1.00 0.00 N ATOM 1123 CA ARG A 75 -4.800 4.456 9.677 1.00 0.00 C ATOM 1124 C ARG A 75 -5.412 5.743 9.130 1.00 0.00 C ATOM 1125 O ARG A 75 -5.407 5.978 7.922 1.00 0.00 O ATOM 1126 CB ARG A 75 -3.549 4.782 10.496 1.00 0.00 C ATOM 1127 CG ARG A 75 -3.330 3.845 11.671 1.00 0.00 C ATOM 1128 CD ARG A 75 -3.958 4.391 12.944 1.00 0.00 C ATOM 1129 NE ARG A 75 -3.284 3.897 14.142 1.00 0.00 N ATOM 1130 CZ ARG A 75 -3.333 4.512 15.319 1.00 0.00 C ATOM 1131 NH1 ARG A 75 -4.021 5.637 15.455 1.00 0.00 N ATOM 1132 NH2 ARG A 75 -2.693 4.000 16.363 1.00 0.00 N ATOM 0 H ARG A 75 -3.663 3.814 8.037 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.532 3.971 10.322 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.677 4.742 9.843 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.624 5.804 10.866 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.757 2.868 11.443 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.261 3.697 11.826 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.919 5.480 12.929 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.011 4.110 12.978 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.746 3.033 14.071 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.515 6.033 14.655 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.057 6.107 16.360 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.163 3.134 16.262 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.731 4.472 17.266 1.00 0.00 H new ATOM 1146 N GLU A 76 -5.939 6.569 10.028 1.00 0.00 N ATOM 1147 CA GLU A 76 -6.557 7.830 9.634 1.00 0.00 C ATOM 1148 C GLU A 76 -6.097 8.968 10.542 1.00 0.00 C ATOM 1149 O GLU A 76 -5.491 8.737 11.588 1.00 0.00 O ATOM 1150 CB GLU A 76 -8.082 7.713 9.677 1.00 0.00 C ATOM 1151 CG GLU A 76 -8.638 6.662 8.731 1.00 0.00 C ATOM 1152 CD GLU A 76 -8.624 5.270 9.331 1.00 0.00 C ATOM 1153 OE1 GLU A 76 -9.359 5.039 10.314 1.00 0.00 O ATOM 1154 OE2 GLU A 76 -7.877 4.411 8.817 1.00 0.00 O ATOM 0 H GLU A 76 -5.951 6.388 11.032 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.246 8.054 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.391 7.474 10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.519 8.680 9.430 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.660 6.927 8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.055 6.662 7.810 1.00 0.00 H new ATOM 1161 N LYS A 77 -6.390 10.198 10.133 1.00 0.00 N ATOM 1162 CA LYS A 77 -6.009 11.373 10.908 1.00 0.00 C ATOM 1163 C LYS A 77 -6.389 11.203 12.375 1.00 0.00 C ATOM 1164 O LYS A 77 -7.189 10.335 12.723 1.00 0.00 O ATOM 1165 CB LYS A 77 -6.681 12.625 10.338 1.00 0.00 C ATOM 1166 CG LYS A 77 -8.197 12.542 10.310 1.00 0.00 C ATOM 1167 CD LYS A 77 -8.793 13.549 9.340 1.00 0.00 C ATOM 1168 CE LYS A 77 -10.275 13.765 9.601 1.00 0.00 C ATOM 1169 NZ LYS A 77 -10.509 14.685 10.748 1.00 0.00 N ATOM 0 H LYS A 77 -6.890 10.407 9.269 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.927 11.486 10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.384 13.489 10.932 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.316 12.794 9.325 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.502 11.535 10.024 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.591 12.722 11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.265 14.498 9.429 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.650 13.199 8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.745 14.173 8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.752 12.806 9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.532 14.806 10.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.083 14.284 11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.076 15.609 10.546 1.00 0.00 H new ATOM 1183 N ARG A 78 -5.810 12.039 13.232 1.00 0.00 N ATOM 1184 CA ARG A 78 -6.088 11.981 14.662 1.00 0.00 C ATOM 1185 C ARG A 78 -7.560 11.671 14.917 1.00 0.00 C ATOM 1186 O ARG A 78 -8.415 11.929 14.071 1.00 0.00 O ATOM 1187 CB ARG A 78 -5.711 13.305 15.330 1.00 0.00 C ATOM 1188 CG ARG A 78 -5.393 13.171 16.810 1.00 0.00 C ATOM 1189 CD ARG A 78 -3.901 12.995 17.046 1.00 0.00 C ATOM 1190 NE ARG A 78 -3.131 14.133 16.551 1.00 0.00 N ATOM 1191 CZ ARG A 78 -1.971 14.517 17.071 1.00 0.00 C ATOM 1192 NH1 ARG A 78 -1.449 13.858 18.095 1.00 0.00 N ATOM 1193 NH2 ARG A 78 -1.329 15.563 16.565 1.00 0.00 N ATOM 0 H ARG A 78 -5.146 12.764 12.960 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.486 11.180 15.092 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.846 13.727 14.818 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.532 14.012 15.206 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.744 14.056 17.340 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.931 12.318 17.223 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.715 12.868 18.112 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.561 12.085 16.552 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.505 14.662 15.763 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.938 13.053 18.486 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.558 14.156 18.492 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.727 16.073 15.776 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.438 15.857 16.965 1.00 0.00 H new ATOM 1207 N ASN A 79 -7.847 11.116 16.090 1.00 0.00 N ATOM 1208 CA ASN A 79 -9.216 10.769 16.457 1.00 0.00 C ATOM 1209 C ASN A 79 -9.763 9.675 15.545 1.00 0.00 C ATOM 1210 O ASN A 79 -10.908 9.741 15.099 1.00 0.00 O ATOM 1211 CB ASN A 79 -10.114 12.005 16.384 1.00 0.00 C ATOM 1212 CG ASN A 79 -11.545 11.705 16.785 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -12.431 11.605 15.937 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -11.777 11.559 18.085 1.00 0.00 N ATOM 0 H ASN A 79 -7.151 10.897 16.802 1.00 0.00 H new ATOM 0 HA ASN A 79 -9.208 10.394 17.480 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.712 12.781 17.035 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.100 12.402 15.369 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.720 11.355 18.415 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -11.012 11.650 18.753 1.00 0.00 H new ATOM 1221 N GLN A 80 -8.936 8.670 15.273 1.00 0.00 N ATOM 1222 CA GLN A 80 -9.337 7.562 14.415 1.00 0.00 C ATOM 1223 C GLN A 80 -8.662 6.265 14.848 1.00 0.00 C ATOM 1224 O GLN A 80 -7.841 6.257 15.766 1.00 0.00 O ATOM 1225 CB GLN A 80 -8.992 7.869 12.956 1.00 0.00 C ATOM 1226 CG GLN A 80 -9.574 9.180 12.455 1.00 0.00 C ATOM 1227 CD GLN A 80 -11.087 9.150 12.363 1.00 0.00 C ATOM 1228 OE1 GLN A 80 -11.749 8.403 13.084 1.00 0.00 O ATOM 1229 NE2 GLN A 80 -11.642 9.964 11.473 1.00 0.00 N ATOM 0 H GLN A 80 -7.985 8.601 15.635 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.416 7.436 14.507 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.908 7.897 12.846 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.355 7.056 12.327 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.270 9.986 13.123 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.159 9.406 11.473 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.054 10.566 10.896 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.656 9.987 11.366 1.00 0.00 H new ATOM 1238 N LYS A 81 -9.013 5.170 14.183 1.00 0.00 N ATOM 1239 CA LYS A 81 -8.441 3.867 14.498 1.00 0.00 C ATOM 1240 C LYS A 81 -8.319 3.008 13.243 1.00 0.00 C ATOM 1241 O LYS A 81 -9.133 3.115 12.325 1.00 0.00 O ATOM 1242 CB LYS A 81 -9.302 3.147 15.539 1.00 0.00 C ATOM 1243 CG LYS A 81 -9.367 3.865 16.876 1.00 0.00 C ATOM 1244 CD LYS A 81 -10.543 4.826 16.936 1.00 0.00 C ATOM 1245 CE LYS A 81 -10.989 5.071 18.369 1.00 0.00 C ATOM 1246 NZ LYS A 81 -11.731 3.907 18.927 1.00 0.00 N ATOM 0 H LYS A 81 -9.692 5.159 13.422 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.443 4.026 14.907 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.313 3.034 15.147 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.906 2.143 15.694 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.453 3.133 17.679 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.439 4.413 17.041 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.265 5.773 16.473 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.375 4.422 16.359 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.117 5.277 18.990 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.623 5.957 18.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.218 4.192 19.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.431 3.576 18.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.063 3.138 19.138 1.00 0.00 H new ATOM 1260 N TRP A 82 -7.300 2.158 13.211 1.00 0.00 N ATOM 1261 CA TRP A 82 -7.073 1.280 12.068 1.00 0.00 C ATOM 1262 C TRP A 82 -8.395 0.837 11.451 1.00 0.00 C ATOM 1263 O TRP A 82 -9.410 0.739 12.140 1.00 0.00 O ATOM 1264 CB TRP A 82 -6.258 0.057 12.492 1.00 0.00 C ATOM 1265 CG TRP A 82 -4.868 0.395 12.940 1.00 0.00 C ATOM 1266 CD1 TRP A 82 -4.443 0.576 14.225 1.00 0.00 C ATOM 1267 CD2 TRP A 82 -3.723 0.595 12.104 1.00 0.00 C ATOM 1268 NE1 TRP A 82 -3.102 0.876 14.238 1.00 0.00 N ATOM 1269 CE2 TRP A 82 -2.637 0.893 12.950 1.00 0.00 C ATOM 1270 CE3 TRP A 82 -3.510 0.549 10.724 1.00 0.00 C ATOM 1271 CZ2 TRP A 82 -1.359 1.145 12.458 1.00 0.00 C ATOM 1272 CZ3 TRP A 82 -2.240 0.799 10.238 1.00 0.00 C ATOM 1273 CH2 TRP A 82 -1.178 1.093 11.103 1.00 0.00 C ATOM 0 H TRP A 82 -6.618 2.057 13.962 1.00 0.00 H new ATOM 0 HA TRP A 82 -6.513 1.838 11.318 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.779 -0.455 13.302 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.203 -0.641 11.657 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -5.068 0.495 15.102 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -2.543 1.057 15.072 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -4.322 0.322 10.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.539 1.374 13.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -2.064 0.767 9.173 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.197 1.282 10.692 1.00 0.00 H new ATOM 1284 N ARG A 83 -8.375 0.569 10.149 1.00 0.00 N ATOM 1285 CA ARG A 83 -9.574 0.137 9.440 1.00 0.00 C ATOM 1286 C ARG A 83 -9.287 -1.099 8.592 1.00 0.00 C ATOM 1287 O ARG A 83 -8.300 -1.146 7.859 1.00 0.00 O ATOM 1288 CB ARG A 83 -10.102 1.266 8.553 1.00 0.00 C ATOM 1289 CG ARG A 83 -10.319 2.574 9.297 1.00 0.00 C ATOM 1290 CD ARG A 83 -11.062 3.585 8.439 1.00 0.00 C ATOM 1291 NE ARG A 83 -12.338 3.062 7.957 1.00 0.00 N ATOM 1292 CZ ARG A 83 -13.231 3.794 7.300 1.00 0.00 C ATOM 1293 NH1 ARG A 83 -12.988 5.072 7.047 1.00 0.00 N ATOM 1294 NH2 ARG A 83 -14.369 3.246 6.893 1.00 0.00 N ATOM 0 H ARG A 83 -7.543 0.643 9.564 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.332 -0.119 10.180 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.399 1.434 7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.044 0.953 8.103 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.883 2.385 10.210 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.356 2.987 9.597 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.237 4.492 9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.440 3.865 7.588 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.555 2.081 8.135 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.114 5.496 7.357 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.675 5.632 6.542 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.558 2.262 7.085 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.054 3.809 6.389 1.00 0.00 H new ATOM 1308 N SER A 84 -10.158 -2.098 8.698 1.00 0.00 N ATOM 1309 CA SER A 84 -9.997 -3.336 7.945 1.00 0.00 C ATOM 1310 C SER A 84 -10.216 -3.097 6.454 1.00 0.00 C ATOM 1311 O SER A 84 -11.305 -2.708 6.029 1.00 0.00 O ATOM 1312 CB SER A 84 -10.974 -4.398 8.453 1.00 0.00 C ATOM 1313 OG SER A 84 -12.314 -3.944 8.358 1.00 0.00 O ATOM 0 H SER A 84 -10.982 -2.074 9.298 1.00 0.00 H new ATOM 0 HA SER A 84 -8.977 -3.692 8.092 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.855 -5.314 7.874 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.742 -4.644 9.489 1.00 0.00 H new ATOM 0 HG SER A 84 -12.430 -3.440 7.526 1.00 0.00 H new