USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 714 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 94 HIS : no HE2:sc= -1.31! C(o=-0.068!,f=-4.5!) USER MOD Set 1.2: A 113 THR OG1 : rot -60:sc= 1.24 USER MOD Set 2.1: A 44 THR OG1 : rot -104:sc= -0.534 USER MOD Set 2.2: A 91 GLN : amide:sc= 1.76 K(o=1.2,f=-4.2!) USER MOD Set 3.1: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 46 TYR OH : rot 180:sc= -0.0322 USER MOD Single : A 39 LYS NZ :NH3+ 148:sc= 1.26 (180deg=0.965) USER MOD Single : A 40 ASN : amide:sc= 0.136 K(o=0.14,f=-3.7!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0185 X(o=-0.018,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -2.81 K(o=-2.8,f=-6.8!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00685 USER MOD Single : A 66 SER OG : rot -91:sc= 0.752 USER MOD Single : A 70 ASN : amide:sc= 0.0125 K(o=0.013,f=-5!) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.671 F(o=-1.8!,f=-0.67) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0979 USER MOD Single : A 89 CYS SG : rot -158:sc= -1.84 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.17) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.038 K(o=-0.038,f=-2.4!) USER MOD Single : A 105 ASN : amide:sc= -0.906 K(o=-0.91,f=-6.7!) USER MOD Single : A 108 TYR OH : rot -126:sc= 1.32 USER MOD Single : A 109 CYS SG : rot 180:sc= -0.662 USER MOD Single : A 114 CYS SG : rot 13:sc= 0.291 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HE2:sc= 0.468 K(o=0.47,f=-1.8!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 504 N TRP A 37 8.986 9.128 -3.245 1.00 0.00 N ATOM 505 CA TRP A 37 7.759 8.413 -3.512 1.00 0.00 C ATOM 506 C TRP A 37 8.072 7.155 -4.294 1.00 0.00 C ATOM 507 O TRP A 37 8.931 7.166 -5.195 1.00 0.00 O ATOM 508 CB TRP A 37 6.774 9.241 -4.343 1.00 0.00 C ATOM 509 CG TRP A 37 6.304 10.535 -3.749 1.00 0.00 C ATOM 510 CD1 TRP A 37 6.874 11.764 -3.905 1.00 0.00 C ATOM 511 CD2 TRP A 37 5.137 10.735 -2.943 1.00 0.00 C ATOM 512 NE1 TRP A 37 6.134 12.712 -3.264 1.00 0.00 N ATOM 513 CE2 TRP A 37 5.066 12.110 -2.656 1.00 0.00 C ATOM 514 CE3 TRP A 37 4.147 9.887 -2.435 1.00 0.00 C ATOM 515 CZ2 TRP A 37 4.045 12.659 -1.887 1.00 0.00 C ATOM 516 CZ3 TRP A 37 3.136 10.433 -1.668 1.00 0.00 C ATOM 517 CH2 TRP A 37 3.093 11.807 -1.401 1.00 0.00 C ATOM 0 HA TRP A 37 7.304 8.188 -2.548 1.00 0.00 H new ATOM 0 HB2 TRP A 37 7.240 9.459 -5.304 1.00 0.00 H new ATOM 0 HB3 TRP A 37 5.899 8.624 -4.546 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.782 11.958 -4.457 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.343 13.710 -3.241 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.173 8.827 -2.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.006 13.719 -1.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.366 9.790 -1.268 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.289 12.202 -0.797 1.00 0.00 H new ATOM 528 N LYS A 38 7.427 6.098 -3.936 1.00 0.00 N ATOM 529 CA LYS A 38 7.528 4.835 -4.625 1.00 0.00 C ATOM 530 C LYS A 38 6.126 4.298 -4.770 1.00 0.00 C ATOM 531 O LYS A 38 5.276 4.599 -3.934 1.00 0.00 O ATOM 532 CB LYS A 38 8.393 3.854 -3.815 1.00 0.00 C ATOM 533 CG LYS A 38 9.845 4.294 -3.652 1.00 0.00 C ATOM 534 CD LYS A 38 10.650 3.365 -2.755 1.00 0.00 C ATOM 535 CE LYS A 38 10.106 3.344 -1.336 1.00 0.00 C ATOM 536 NZ LYS A 38 10.947 2.538 -0.440 1.00 0.00 N ATOM 0 H LYS A 38 6.795 6.077 -3.136 1.00 0.00 H new ATOM 0 HA LYS A 38 7.998 4.962 -5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.950 3.726 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.372 2.879 -4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.317 4.342 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.869 5.302 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.632 2.356 -3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.692 3.685 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.043 4.364 -0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.092 2.943 -1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.543 2.548 0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.986 1.559 -0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.908 2.935 -0.415 1.00 0.00 H new ATOM 550 N LYS A 39 5.853 3.563 -5.815 1.00 0.00 N ATOM 551 CA LYS A 39 4.521 3.021 -5.996 1.00 0.00 C ATOM 552 C LYS A 39 4.429 1.670 -5.284 1.00 0.00 C ATOM 553 O LYS A 39 5.265 0.793 -5.490 1.00 0.00 O ATOM 554 CB LYS A 39 4.186 2.901 -7.486 1.00 0.00 C ATOM 555 CG LYS A 39 2.720 2.607 -7.788 1.00 0.00 C ATOM 556 CD LYS A 39 2.494 2.484 -9.287 1.00 0.00 C ATOM 557 CE LYS A 39 1.015 2.330 -9.644 1.00 0.00 C ATOM 558 NZ LYS A 39 0.215 3.540 -9.310 1.00 0.00 N ATOM 0 H LYS A 39 6.521 3.325 -6.548 1.00 0.00 H new ATOM 0 HA LYS A 39 3.786 3.696 -5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.466 3.830 -7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.798 2.110 -7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.420 1.683 -7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.094 3.403 -7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.895 3.366 -9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.048 1.625 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.922 2.121 -10.710 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.605 1.470 -9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.562 3.642 -9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.177 3.443 -8.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.825 4.382 -9.351 1.00 0.00 H new ATOM 572 N ASN A 40 3.454 1.543 -4.426 1.00 0.00 N ATOM 573 CA ASN A 40 3.251 0.358 -3.603 1.00 0.00 C ATOM 574 C ASN A 40 2.272 -0.610 -4.284 1.00 0.00 C ATOM 575 O ASN A 40 1.601 -0.243 -5.251 1.00 0.00 O ATOM 576 CB ASN A 40 2.711 0.806 -2.207 1.00 0.00 C ATOM 577 CG ASN A 40 2.549 -0.313 -1.181 1.00 0.00 C ATOM 578 OD1 ASN A 40 3.248 -1.323 -1.224 1.00 0.00 O ATOM 579 ND2 ASN A 40 1.667 -0.125 -0.234 1.00 0.00 N ATOM 0 H ASN A 40 2.757 2.271 -4.268 1.00 0.00 H new ATOM 0 HA ASN A 40 4.197 -0.169 -3.474 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.387 1.557 -1.798 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.745 1.290 -2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.545 -0.827 0.496 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.101 0.724 -0.225 1.00 0.00 H new ATOM 586 N GLN A 41 2.184 -1.818 -3.730 1.00 0.00 N ATOM 587 CA GLN A 41 1.332 -2.936 -4.174 1.00 0.00 C ATOM 588 C GLN A 41 -0.124 -2.512 -4.447 1.00 0.00 C ATOM 589 O GLN A 41 -0.766 -3.011 -5.362 1.00 0.00 O ATOM 590 CB GLN A 41 1.319 -3.974 -3.045 1.00 0.00 C ATOM 591 CG GLN A 41 0.401 -5.159 -3.270 1.00 0.00 C ATOM 592 CD GLN A 41 0.205 -5.984 -2.017 1.00 0.00 C ATOM 593 OE1 GLN A 41 1.094 -6.072 -1.153 1.00 0.00 O ATOM 594 NE2 GLN A 41 -0.960 -6.558 -1.883 1.00 0.00 N ATOM 0 H GLN A 41 2.737 -2.064 -2.909 1.00 0.00 H new ATOM 0 HA GLN A 41 1.740 -3.323 -5.108 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.334 -4.343 -2.901 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.026 -3.478 -2.120 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.567 -4.803 -3.622 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.814 -5.791 -4.057 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.663 -6.462 -2.615 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.167 -7.103 -1.046 1.00 0.00 H new ATOM 603 N TYR A 42 -0.618 -1.575 -3.669 1.00 0.00 N ATOM 604 CA TYR A 42 -2.014 -1.164 -3.765 1.00 0.00 C ATOM 605 C TYR A 42 -2.206 -0.049 -4.795 1.00 0.00 C ATOM 606 O TYR A 42 -3.289 0.533 -4.911 1.00 0.00 O ATOM 607 CB TYR A 42 -2.527 -0.726 -2.389 1.00 0.00 C ATOM 608 CG TYR A 42 -2.395 -1.799 -1.324 1.00 0.00 C ATOM 609 CD1 TYR A 42 -3.103 -2.990 -1.418 1.00 0.00 C ATOM 610 CD2 TYR A 42 -1.554 -1.625 -0.234 1.00 0.00 C ATOM 611 CE1 TYR A 42 -2.980 -3.973 -0.458 1.00 0.00 C ATOM 612 CE2 TYR A 42 -1.427 -2.607 0.732 1.00 0.00 C ATOM 613 CZ TYR A 42 -2.142 -3.776 0.615 1.00 0.00 C ATOM 614 OH TYR A 42 -2.022 -4.750 1.581 1.00 0.00 O ATOM 0 H TYR A 42 -0.079 -1.079 -2.960 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.595 -2.021 -4.105 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.978 0.160 -2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.575 -0.438 -2.475 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.762 -3.150 -2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.990 -0.709 -0.138 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.539 -4.893 -0.548 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.769 -2.456 1.575 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.390 -4.453 2.268 1.00 0.00 H new ATOM 624 N GLY A 43 -1.150 0.251 -5.528 1.00 0.00 N ATOM 625 CA GLY A 43 -1.181 1.288 -6.541 1.00 0.00 C ATOM 626 C GLY A 43 -0.872 2.642 -5.957 1.00 0.00 C ATOM 627 O GLY A 43 -0.562 3.595 -6.675 1.00 0.00 O ATOM 0 H GLY A 43 -0.248 -0.217 -5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.459 1.055 -7.323 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.164 1.309 -7.011 1.00 0.00 H new ATOM 631 N THR A 44 -0.900 2.691 -4.663 1.00 0.00 N ATOM 632 CA THR A 44 -0.686 3.867 -3.897 1.00 0.00 C ATOM 633 C THR A 44 0.788 4.275 -3.946 1.00 0.00 C ATOM 634 O THR A 44 1.662 3.425 -3.868 1.00 0.00 O ATOM 635 CB THR A 44 -1.048 3.523 -2.453 1.00 0.00 C ATOM 636 OG1 THR A 44 -2.267 2.762 -2.458 1.00 0.00 O ATOM 637 CG2 THR A 44 -1.249 4.769 -1.637 1.00 0.00 C ATOM 0 H THR A 44 -1.082 1.868 -4.088 1.00 0.00 H new ATOM 0 HA THR A 44 -1.287 4.689 -4.287 1.00 0.00 H new ATOM 0 HB THR A 44 -0.234 2.950 -2.010 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.010 3.333 -2.173 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.506 4.496 -0.613 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.330 5.356 -1.637 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.057 5.360 -2.068 1.00 0.00 H new ATOM 645 N TRP A 45 1.047 5.539 -4.104 1.00 0.00 N ATOM 646 CA TRP A 45 2.402 6.043 -4.025 1.00 0.00 C ATOM 647 C TRP A 45 2.668 6.412 -2.587 1.00 0.00 C ATOM 648 O TRP A 45 1.824 7.030 -1.962 1.00 0.00 O ATOM 649 CB TRP A 45 2.592 7.270 -4.912 1.00 0.00 C ATOM 650 CG TRP A 45 2.629 6.991 -6.384 1.00 0.00 C ATOM 651 CD1 TRP A 45 1.569 6.772 -7.221 1.00 0.00 C ATOM 652 CD2 TRP A 45 3.804 6.942 -7.202 1.00 0.00 C ATOM 653 NE1 TRP A 45 2.022 6.584 -8.506 1.00 0.00 N ATOM 654 CE2 TRP A 45 3.391 6.686 -8.518 1.00 0.00 C ATOM 655 CE3 TRP A 45 5.169 7.090 -6.941 1.00 0.00 C ATOM 656 CZ2 TRP A 45 4.298 6.577 -9.572 1.00 0.00 C ATOM 657 CZ3 TRP A 45 6.062 6.984 -7.983 1.00 0.00 C ATOM 658 CH2 TRP A 45 5.626 6.730 -9.284 1.00 0.00 C ATOM 0 H TRP A 45 0.339 6.250 -4.290 1.00 0.00 H new ATOM 0 HA TRP A 45 3.096 5.277 -4.372 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.783 7.973 -4.711 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.521 7.764 -4.628 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.533 6.750 -6.918 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.435 6.399 -9.319 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.518 7.284 -5.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.963 6.379 -10.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 7.118 7.099 -7.790 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.352 6.653 -10.080 1.00 0.00 H new ATOM 669 N TYR A 46 3.789 6.020 -2.057 1.00 0.00 N ATOM 670 CA TYR A 46 4.088 6.294 -0.665 1.00 0.00 C ATOM 671 C TYR A 46 5.481 6.859 -0.515 1.00 0.00 C ATOM 672 O TYR A 46 6.370 6.548 -1.316 1.00 0.00 O ATOM 673 CB TYR A 46 3.923 5.025 0.206 1.00 0.00 C ATOM 674 CG TYR A 46 4.942 3.921 -0.044 1.00 0.00 C ATOM 675 CD1 TYR A 46 4.950 3.213 -1.230 1.00 0.00 C ATOM 676 CD2 TYR A 46 5.902 3.603 0.910 1.00 0.00 C ATOM 677 CE1 TYR A 46 5.872 2.219 -1.468 1.00 0.00 C ATOM 678 CE2 TYR A 46 6.831 2.607 0.680 1.00 0.00 C ATOM 679 CZ TYR A 46 6.807 1.920 -0.514 1.00 0.00 C ATOM 680 OH TYR A 46 7.734 0.926 -0.755 1.00 0.00 O ATOM 0 H TYR A 46 4.516 5.510 -2.559 1.00 0.00 H new ATOM 0 HA TYR A 46 3.373 7.039 -0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.978 5.316 1.255 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.925 4.619 0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.216 3.445 -1.988 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.922 4.143 1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.858 1.678 -2.403 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.570 2.369 1.430 1.00 0.00 H new ATOM 0 HH TYR A 46 8.328 0.837 0.020 1.00 0.00 H new ATOM 690 N LYS A 47 5.653 7.690 0.477 1.00 0.00 N ATOM 691 CA LYS A 47 6.933 8.253 0.813 1.00 0.00 C ATOM 692 C LYS A 47 7.091 8.221 2.336 1.00 0.00 C ATOM 693 O LYS A 47 6.083 8.308 3.067 1.00 0.00 O ATOM 694 CB LYS A 47 7.055 9.718 0.325 1.00 0.00 C ATOM 695 CG LYS A 47 6.105 10.698 1.026 1.00 0.00 C ATOM 696 CD LYS A 47 6.293 12.139 0.560 1.00 0.00 C ATOM 697 CE LYS A 47 7.671 12.689 0.875 1.00 0.00 C ATOM 698 NZ LYS A 47 7.834 14.075 0.377 1.00 0.00 N ATOM 0 H LYS A 47 4.895 8.000 1.085 1.00 0.00 H new ATOM 0 HA LYS A 47 7.711 7.667 0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.081 10.054 0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.863 9.749 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.075 10.393 0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.266 10.645 2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.124 12.192 -0.515 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.540 12.769 1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.834 12.668 1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.430 12.049 0.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.788 14.418 0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.703 14.091 -0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.126 14.691 0.825 1.00 0.00 H new ATOM 712 N PRO A 48 8.309 8.038 2.843 1.00 0.00 N ATOM 713 CA PRO A 48 8.573 8.131 4.270 1.00 0.00 C ATOM 714 C PRO A 48 8.619 9.605 4.697 1.00 0.00 C ATOM 715 O PRO A 48 9.413 10.397 4.160 1.00 0.00 O ATOM 716 CB PRO A 48 9.968 7.492 4.428 1.00 0.00 C ATOM 717 CG PRO A 48 10.298 6.907 3.096 1.00 0.00 C ATOM 718 CD PRO A 48 9.519 7.694 2.095 1.00 0.00 C ATOM 0 HA PRO A 48 7.811 7.643 4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.708 8.236 4.723 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.962 6.724 5.202 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.368 6.972 2.896 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.030 5.851 3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.060 8.581 1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.294 7.109 1.204 1.00 0.00 H new ATOM 726 N GLU A 49 7.772 9.971 5.624 1.00 0.00 N ATOM 727 CA GLU A 49 7.686 11.336 6.102 1.00 0.00 C ATOM 728 C GLU A 49 7.049 11.307 7.484 1.00 0.00 C ATOM 729 O GLU A 49 5.927 10.831 7.639 1.00 0.00 O ATOM 730 CB GLU A 49 6.815 12.155 5.131 1.00 0.00 C ATOM 731 CG GLU A 49 6.691 13.639 5.446 1.00 0.00 C ATOM 732 CD GLU A 49 7.995 14.382 5.313 1.00 0.00 C ATOM 733 OE1 GLU A 49 8.400 14.701 4.174 1.00 0.00 O ATOM 734 OE2 GLU A 49 8.635 14.676 6.336 1.00 0.00 O ATOM 0 H GLU A 49 7.117 9.331 6.074 1.00 0.00 H new ATOM 0 HA GLU A 49 8.673 11.795 6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.225 12.049 4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.815 11.721 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.955 14.086 4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.313 13.759 6.461 1.00 0.00 H new ATOM 741 N ASN A 50 7.749 11.802 8.469 1.00 0.00 N ATOM 742 CA ASN A 50 7.260 11.764 9.833 1.00 0.00 C ATOM 743 C ASN A 50 6.752 13.131 10.229 1.00 0.00 C ATOM 744 O ASN A 50 7.516 14.103 10.260 1.00 0.00 O ATOM 745 CB ASN A 50 8.374 11.324 10.792 1.00 0.00 C ATOM 746 CG ASN A 50 7.890 11.037 12.215 1.00 0.00 C ATOM 747 OD1 ASN A 50 7.562 9.894 12.563 1.00 0.00 O ATOM 748 ND2 ASN A 50 7.833 12.052 13.045 1.00 0.00 N ATOM 0 H ASN A 50 8.664 12.239 8.358 1.00 0.00 H new ATOM 0 HA ASN A 50 6.445 11.042 9.893 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.850 10.428 10.393 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.137 12.102 10.828 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.513 11.910 14.003 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.109 12.983 12.732 1.00 0.00 H new ATOM 755 N ALA A 51 5.484 13.215 10.514 1.00 0.00 N ATOM 756 CA ALA A 51 4.861 14.461 10.909 1.00 0.00 C ATOM 757 C ALA A 51 3.660 14.160 11.777 1.00 0.00 C ATOM 758 O ALA A 51 3.378 12.992 12.059 1.00 0.00 O ATOM 759 CB ALA A 51 4.463 15.286 9.691 1.00 0.00 C ATOM 0 H ALA A 51 4.844 12.421 10.481 1.00 0.00 H new ATOM 0 HA ALA A 51 5.576 15.054 11.479 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.998 16.216 10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.350 15.512 9.099 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.756 14.721 9.084 1.00 0.00 H new ATOM 765 N THR A 52 2.951 15.165 12.191 1.00 0.00 N ATOM 766 CA THR A 52 1.837 14.982 13.065 1.00 0.00 C ATOM 767 C THR A 52 0.525 15.458 12.384 1.00 0.00 C ATOM 768 O THR A 52 0.559 16.243 11.443 1.00 0.00 O ATOM 769 CB THR A 52 2.129 15.724 14.398 1.00 0.00 C ATOM 770 OG1 THR A 52 3.411 15.269 14.894 1.00 0.00 O ATOM 771 CG2 THR A 52 1.068 15.445 15.452 1.00 0.00 C ATOM 0 H THR A 52 3.130 16.135 11.931 1.00 0.00 H new ATOM 0 HA THR A 52 1.694 13.925 13.288 1.00 0.00 H new ATOM 0 HB THR A 52 2.129 16.796 14.203 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.617 15.726 15.736 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.313 15.984 16.367 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.096 15.775 15.086 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.034 14.375 15.659 1.00 0.00 H new ATOM 779 N PHE A 53 -0.585 14.888 12.773 1.00 0.00 N ATOM 780 CA PHE A 53 -1.882 15.261 12.268 1.00 0.00 C ATOM 781 C PHE A 53 -2.846 15.383 13.429 1.00 0.00 C ATOM 782 O PHE A 53 -2.885 14.515 14.303 1.00 0.00 O ATOM 783 CB PHE A 53 -2.386 14.211 11.262 1.00 0.00 C ATOM 784 CG PHE A 53 -3.769 14.460 10.726 1.00 0.00 C ATOM 785 CD1 PHE A 53 -3.989 15.415 9.751 1.00 0.00 C ATOM 786 CD2 PHE A 53 -4.847 13.725 11.196 1.00 0.00 C ATOM 787 CE1 PHE A 53 -5.255 15.635 9.253 1.00 0.00 C ATOM 788 CE2 PHE A 53 -6.116 13.941 10.706 1.00 0.00 C ATOM 789 CZ PHE A 53 -6.321 14.896 9.733 1.00 0.00 C ATOM 0 H PHE A 53 -0.614 14.137 13.463 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.811 16.219 11.752 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.690 14.168 10.424 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.369 13.232 11.741 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.159 15.995 9.375 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.690 12.974 11.956 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.414 16.382 8.490 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.948 13.364 11.083 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.314 15.067 9.345 1.00 0.00 H new ATOM 799 N VAL A 54 -3.585 16.451 13.453 1.00 0.00 N ATOM 800 CA VAL A 54 -4.583 16.676 14.466 1.00 0.00 C ATOM 801 C VAL A 54 -5.938 16.695 13.782 1.00 0.00 C ATOM 802 O VAL A 54 -6.113 17.391 12.789 1.00 0.00 O ATOM 803 CB VAL A 54 -4.365 18.035 15.204 1.00 0.00 C ATOM 804 CG1 VAL A 54 -5.387 18.228 16.321 1.00 0.00 C ATOM 805 CG2 VAL A 54 -2.951 18.136 15.760 1.00 0.00 C ATOM 0 H VAL A 54 -3.515 17.201 12.765 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.518 15.883 15.211 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.505 18.830 14.471 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.209 19.183 16.816 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.392 18.219 15.900 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.290 17.420 17.046 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.827 19.092 16.269 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.779 17.324 16.467 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.233 18.064 14.943 1.00 0.00 H new ATOM 815 N ASN A 55 -6.869 15.907 14.267 1.00 0.00 N ATOM 816 CA ASN A 55 -8.217 15.887 13.701 1.00 0.00 C ATOM 817 C ASN A 55 -8.872 17.253 13.942 1.00 0.00 C ATOM 818 O ASN A 55 -8.776 17.801 15.050 1.00 0.00 O ATOM 819 CB ASN A 55 -9.063 14.749 14.328 1.00 0.00 C ATOM 820 CG ASN A 55 -10.455 14.589 13.693 1.00 0.00 C ATOM 821 OD1 ASN A 55 -11.035 15.522 13.200 1.00 0.00 O ATOM 822 ND2 ASN A 55 -11.004 13.415 13.745 1.00 0.00 N ATOM 0 H ASN A 55 -6.728 15.269 15.050 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.160 15.695 12.630 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.519 13.809 14.231 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.180 14.941 15.395 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.940 13.272 13.365 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.500 12.634 14.166 1.00 0.00 H new ATOM 829 N GLY A 56 -9.527 17.778 12.918 1.00 0.00 N ATOM 830 CA GLY A 56 -10.109 19.094 12.973 1.00 0.00 C ATOM 831 C GLY A 56 -11.369 19.173 13.821 1.00 0.00 C ATOM 832 O GLY A 56 -11.298 19.409 15.040 1.00 0.00 O ATOM 0 H GLY A 56 -9.666 17.297 12.029 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.371 19.791 13.370 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.343 19.420 11.960 1.00 0.00 H new ATOM 836 N ASN A 57 -12.510 18.973 13.200 1.00 0.00 N ATOM 837 CA ASN A 57 -13.785 19.140 13.884 1.00 0.00 C ATOM 838 C ASN A 57 -14.530 17.835 14.139 1.00 0.00 C ATOM 839 O ASN A 57 -15.009 17.604 15.251 1.00 0.00 O ATOM 840 CB ASN A 57 -14.688 20.132 13.128 1.00 0.00 C ATOM 841 CG ASN A 57 -16.059 20.304 13.777 1.00 0.00 C ATOM 842 OD1 ASN A 57 -16.223 21.100 14.691 1.00 0.00 O ATOM 843 ND2 ASN A 57 -17.056 19.621 13.271 1.00 0.00 N ATOM 0 H ASN A 57 -12.587 18.694 12.222 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.538 19.544 14.866 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -14.192 21.101 13.078 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.818 19.787 12.102 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -17.999 19.746 13.639 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -16.889 18.964 12.509 1.00 0.00 H new ATOM 850 N GLN A 58 -14.632 16.992 13.143 1.00 0.00 N ATOM 851 CA GLN A 58 -15.429 15.786 13.256 1.00 0.00 C ATOM 852 C GLN A 58 -14.586 14.519 13.127 1.00 0.00 C ATOM 853 O GLN A 58 -13.529 14.549 12.523 1.00 0.00 O ATOM 854 CB GLN A 58 -16.653 15.835 12.280 1.00 0.00 C ATOM 855 CG GLN A 58 -16.363 16.118 10.787 1.00 0.00 C ATOM 856 CD GLN A 58 -15.823 14.931 9.991 1.00 0.00 C ATOM 857 OE1 GLN A 58 -16.592 14.147 9.425 1.00 0.00 O ATOM 858 NE2 GLN A 58 -14.539 14.809 9.901 1.00 0.00 N ATOM 0 H GLN A 58 -14.174 17.115 12.240 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.840 15.743 14.265 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -17.175 14.880 12.347 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.341 16.600 12.640 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.282 16.463 10.314 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.645 16.935 10.722 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.929 15.472 10.380 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -14.136 14.050 9.351 1.00 0.00 H new ATOM 867 N PRO A 59 -15.017 13.403 13.745 1.00 0.00 N ATOM 868 CA PRO A 59 -14.308 12.125 13.662 1.00 0.00 C ATOM 869 C PRO A 59 -14.130 11.659 12.218 1.00 0.00 C ATOM 870 O PRO A 59 -15.046 11.765 11.386 1.00 0.00 O ATOM 871 CB PRO A 59 -15.203 11.161 14.437 1.00 0.00 C ATOM 872 CG PRO A 59 -15.973 12.032 15.351 1.00 0.00 C ATOM 873 CD PRO A 59 -16.215 13.291 14.588 1.00 0.00 C ATOM 0 HA PRO A 59 -13.298 12.192 14.065 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.861 10.605 13.769 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.614 10.428 14.988 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.913 11.563 15.643 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -15.417 12.229 16.268 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -17.125 13.232 13.990 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.324 14.150 15.251 1.00 0.00 H new ATOM 881 N ILE A 60 -12.963 11.167 11.927 1.00 0.00 N ATOM 882 CA ILE A 60 -12.621 10.761 10.593 1.00 0.00 C ATOM 883 C ILE A 60 -12.541 9.253 10.546 1.00 0.00 C ATOM 884 O ILE A 60 -11.847 8.649 11.365 1.00 0.00 O ATOM 885 CB ILE A 60 -11.245 11.351 10.161 1.00 0.00 C ATOM 886 CG1 ILE A 60 -11.230 12.875 10.332 1.00 0.00 C ATOM 887 CG2 ILE A 60 -10.947 10.991 8.706 1.00 0.00 C ATOM 888 CD1 ILE A 60 -9.881 13.507 10.059 1.00 0.00 C ATOM 0 H ILE A 60 -12.217 11.035 12.610 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.387 11.131 9.911 1.00 0.00 H new ATOM 0 HB ILE A 60 -10.475 10.920 10.801 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -11.969 13.314 9.661 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.537 13.120 11.349 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.983 11.410 8.418 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -10.919 9.907 8.598 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -11.727 11.399 8.063 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.949 14.586 10.200 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.141 13.097 10.747 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.580 13.294 9.033 1.00 0.00 H new ATOM 900 N VAL A 61 -13.265 8.642 9.644 1.00 0.00 N ATOM 901 CA VAL A 61 -13.169 7.207 9.475 1.00 0.00 C ATOM 902 C VAL A 61 -11.841 6.871 8.799 1.00 0.00 C ATOM 903 O VAL A 61 -11.316 7.661 8.008 1.00 0.00 O ATOM 904 CB VAL A 61 -14.360 6.605 8.671 1.00 0.00 C ATOM 905 CG1 VAL A 61 -15.683 6.869 9.379 1.00 0.00 C ATOM 906 CG2 VAL A 61 -14.395 7.136 7.244 1.00 0.00 C ATOM 0 H VAL A 61 -13.923 9.106 9.018 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.214 6.754 10.466 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.209 5.527 8.619 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -16.499 6.439 8.798 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.663 6.413 10.369 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -15.835 7.944 9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.238 6.695 6.712 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -14.504 8.220 7.262 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.468 6.873 6.735 1.00 0.00 H new ATOM 916 N THR A 62 -11.302 5.747 9.111 1.00 0.00 N ATOM 917 CA THR A 62 -10.015 5.362 8.608 1.00 0.00 C ATOM 918 C THR A 62 -10.091 3.988 7.956 1.00 0.00 C ATOM 919 O THR A 62 -11.067 3.246 8.167 1.00 0.00 O ATOM 920 CB THR A 62 -8.951 5.377 9.742 1.00 0.00 C ATOM 921 OG1 THR A 62 -9.405 4.600 10.851 1.00 0.00 O ATOM 922 CG2 THR A 62 -8.666 6.795 10.222 1.00 0.00 C ATOM 0 H THR A 62 -11.737 5.059 9.725 1.00 0.00 H new ATOM 0 HA THR A 62 -9.710 6.086 7.852 1.00 0.00 H new ATOM 0 HB THR A 62 -8.033 4.953 9.334 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.728 4.614 11.559 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.918 6.767 11.014 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.292 7.392 9.391 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.584 7.241 10.605 1.00 0.00 H new ATOM 930 N ARG A 63 -9.102 3.656 7.162 1.00 0.00 N ATOM 931 CA ARG A 63 -9.085 2.393 6.467 1.00 0.00 C ATOM 932 C ARG A 63 -8.012 1.512 7.048 1.00 0.00 C ATOM 933 O ARG A 63 -6.921 1.986 7.404 1.00 0.00 O ATOM 934 CB ARG A 63 -8.861 2.587 4.973 1.00 0.00 C ATOM 935 CG ARG A 63 -9.865 3.515 4.312 1.00 0.00 C ATOM 936 CD ARG A 63 -11.293 3.023 4.406 1.00 0.00 C ATOM 937 NE ARG A 63 -12.216 4.017 3.840 1.00 0.00 N ATOM 938 CZ ARG A 63 -13.470 3.789 3.446 1.00 0.00 C ATOM 939 NH1 ARG A 63 -13.964 2.546 3.413 1.00 0.00 N ATOM 940 NH2 ARG A 63 -14.220 4.808 3.056 1.00 0.00 N ATOM 0 H ARG A 63 -8.292 4.249 6.981 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.056 1.915 6.596 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.858 2.983 4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.902 1.615 4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.797 4.500 4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.599 3.637 3.262 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.395 2.078 3.873 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.550 2.830 5.448 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.865 4.969 3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.380 1.758 3.691 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.925 2.387 3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.837 5.753 3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.180 4.648 2.752 1.00 0.00 H new ATOM 954 N ILE A 64 -8.315 0.259 7.138 1.00 0.00 N ATOM 955 CA ILE A 64 -7.447 -0.707 7.753 1.00 0.00 C ATOM 956 C ILE A 64 -6.553 -1.399 6.717 1.00 0.00 C ATOM 957 O ILE A 64 -7.047 -2.000 5.757 1.00 0.00 O ATOM 958 CB ILE A 64 -8.298 -1.767 8.504 1.00 0.00 C ATOM 959 CG1 ILE A 64 -9.213 -1.074 9.532 1.00 0.00 C ATOM 960 CG2 ILE A 64 -7.404 -2.809 9.180 1.00 0.00 C ATOM 961 CD1 ILE A 64 -10.210 -1.995 10.204 1.00 0.00 C ATOM 0 H ILE A 64 -9.186 -0.135 6.782 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.801 -0.183 8.457 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.922 -2.290 7.779 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.592 -0.610 10.298 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.757 -0.272 9.033 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.025 -3.539 9.699 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.801 -3.315 8.426 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.748 -2.315 9.897 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.812 -1.425 10.911 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.859 -2.440 9.450 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -9.677 -2.784 10.735 1.00 0.00 H new ATOM 973 N GLY A 65 -5.248 -1.233 6.887 1.00 0.00 N ATOM 974 CA GLY A 65 -4.232 -1.960 6.128 1.00 0.00 C ATOM 975 C GLY A 65 -4.046 -1.576 4.660 1.00 0.00 C ATOM 976 O GLY A 65 -2.976 -1.813 4.093 1.00 0.00 O ATOM 0 H GLY A 65 -4.857 -0.580 7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.276 -1.831 6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.474 -3.022 6.171 1.00 0.00 H new ATOM 980 N SER A 66 -5.024 -0.999 4.033 1.00 0.00 N ATOM 981 CA SER A 66 -4.888 -0.657 2.639 1.00 0.00 C ATOM 982 C SER A 66 -5.537 0.677 2.346 1.00 0.00 C ATOM 983 O SER A 66 -6.610 0.964 2.866 1.00 0.00 O ATOM 984 CB SER A 66 -5.542 -1.741 1.776 1.00 0.00 C ATOM 985 OG SER A 66 -5.016 -3.037 2.087 1.00 0.00 O ATOM 0 H SER A 66 -5.920 -0.754 4.454 1.00 0.00 H new ATOM 0 HA SER A 66 -3.826 -0.587 2.404 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.620 -1.735 1.935 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.374 -1.521 0.722 1.00 0.00 H new ATOM 0 HG SER A 66 -4.251 -3.228 1.505 1.00 0.00 H new ATOM 991 N PRO A 67 -4.883 1.541 1.567 1.00 0.00 N ATOM 992 CA PRO A 67 -5.500 2.754 1.118 1.00 0.00 C ATOM 993 C PRO A 67 -6.231 2.524 -0.217 1.00 0.00 C ATOM 994 O PRO A 67 -5.624 2.165 -1.226 1.00 0.00 O ATOM 995 CB PRO A 67 -4.318 3.714 0.934 1.00 0.00 C ATOM 996 CG PRO A 67 -3.089 2.850 0.831 1.00 0.00 C ATOM 997 CD PRO A 67 -3.495 1.425 1.109 1.00 0.00 C ATOM 0 HA PRO A 67 -6.249 3.135 1.813 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.444 4.320 0.037 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.241 4.403 1.775 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.647 2.933 -0.162 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.333 3.177 1.545 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.419 0.806 0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.860 0.969 1.868 1.00 0.00 H new ATOM 1005 N PHE A 68 -7.511 2.756 -0.179 1.00 0.00 N ATOM 1006 CA PHE A 68 -8.480 2.620 -1.261 1.00 0.00 C ATOM 1007 C PHE A 68 -9.725 3.264 -0.736 1.00 0.00 C ATOM 1008 O PHE A 68 -9.798 3.548 0.465 1.00 0.00 O ATOM 1009 CB PHE A 68 -8.851 1.143 -1.609 1.00 0.00 C ATOM 1010 CG PHE A 68 -7.810 0.304 -2.282 1.00 0.00 C ATOM 1011 CD1 PHE A 68 -7.522 0.487 -3.625 1.00 0.00 C ATOM 1012 CD2 PHE A 68 -7.149 -0.692 -1.589 1.00 0.00 C ATOM 1013 CE1 PHE A 68 -6.589 -0.301 -4.258 1.00 0.00 C ATOM 1014 CE2 PHE A 68 -6.213 -1.482 -2.216 1.00 0.00 C ATOM 1015 CZ PHE A 68 -5.932 -1.288 -3.555 1.00 0.00 C ATOM 0 H PHE A 68 -7.957 3.074 0.681 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.059 3.059 -2.165 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.139 0.643 -0.684 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.733 1.161 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.036 1.257 -4.181 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.369 -0.852 -0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.371 -0.147 -5.305 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.698 -2.253 -1.662 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.199 -1.908 -4.050 1.00 0.00 H new ATOM 1025 N LEU A 69 -10.693 3.473 -1.567 1.00 0.00 N ATOM 1026 CA LEU A 69 -11.954 4.011 -1.105 1.00 0.00 C ATOM 1027 C LEU A 69 -12.907 2.889 -0.708 1.00 0.00 C ATOM 1028 O LEU A 69 -13.873 3.102 0.019 1.00 0.00 O ATOM 1029 CB LEU A 69 -12.589 4.983 -2.120 1.00 0.00 C ATOM 1030 CG LEU A 69 -11.877 6.349 -2.313 1.00 0.00 C ATOM 1031 CD1 LEU A 69 -11.734 7.086 -0.988 1.00 0.00 C ATOM 1032 CD2 LEU A 69 -10.520 6.205 -3.008 1.00 0.00 C ATOM 0 H LEU A 69 -10.647 3.284 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.749 4.604 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.635 4.483 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.617 5.175 -1.811 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.511 6.945 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.232 8.039 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.722 7.265 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.146 6.482 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.062 7.188 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.870 5.568 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.661 5.756 -3.991 1.00 0.00 H new ATOM 1044 N ASN A 70 -12.613 1.691 -1.171 1.00 0.00 N ATOM 1045 CA ASN A 70 -13.402 0.512 -0.826 1.00 0.00 C ATOM 1046 C ASN A 70 -12.622 -0.359 0.153 1.00 0.00 C ATOM 1047 O ASN A 70 -12.912 -1.538 0.344 1.00 0.00 O ATOM 1048 CB ASN A 70 -13.815 -0.303 -2.083 1.00 0.00 C ATOM 1049 CG ASN A 70 -12.651 -0.897 -2.876 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -11.554 -0.331 -2.942 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -12.885 -2.029 -3.489 1.00 0.00 N ATOM 0 H ASN A 70 -11.827 1.501 -1.793 1.00 0.00 H new ATOM 0 HA ASN A 70 -14.324 0.850 -0.353 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.475 -1.113 -1.772 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -14.393 0.343 -2.743 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.151 -2.471 -4.042 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.802 -2.470 -3.414 1.00 0.00 H new ATOM 1058 N ALA A 71 -11.658 0.257 0.806 1.00 0.00 N ATOM 1059 CA ALA A 71 -10.831 -0.415 1.790 1.00 0.00 C ATOM 1060 C ALA A 71 -11.648 -0.673 3.065 1.00 0.00 C ATOM 1061 O ALA A 71 -12.653 0.031 3.303 1.00 0.00 O ATOM 1062 CB ALA A 71 -9.619 0.441 2.101 1.00 0.00 C ATOM 0 H ALA A 71 -11.425 1.241 0.670 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.494 -1.373 1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.997 -0.064 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.042 0.600 1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.945 1.403 2.497 1.00 0.00 H new ATOM 1068 N PRO A 72 -11.256 -1.678 3.889 1.00 0.00 N ATOM 1069 CA PRO A 72 -11.970 -2.020 5.128 1.00 0.00 C ATOM 1070 C PRO A 72 -12.129 -0.822 6.055 1.00 0.00 C ATOM 1071 O PRO A 72 -11.143 -0.159 6.428 1.00 0.00 O ATOM 1072 CB PRO A 72 -11.082 -3.077 5.786 1.00 0.00 C ATOM 1073 CG PRO A 72 -10.319 -3.675 4.667 1.00 0.00 C ATOM 1074 CD PRO A 72 -10.092 -2.568 3.680 1.00 0.00 C ATOM 0 HA PRO A 72 -12.983 -2.365 4.921 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.417 -2.631 6.525 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.678 -3.828 6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.372 -4.086 5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.874 -4.496 4.212 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.151 -2.050 3.867 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.052 -2.943 2.657 1.00 0.00 H new ATOM 1082 N VAL A 73 -13.357 -0.538 6.378 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.720 0.548 7.239 1.00 0.00 C ATOM 1084 C VAL A 73 -14.075 -0.034 8.630 1.00 0.00 C ATOM 1085 O VAL A 73 -14.098 -1.269 8.806 1.00 0.00 O ATOM 1086 CB VAL A 73 -14.897 1.381 6.616 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -16.234 0.657 6.688 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.978 2.806 7.170 1.00 0.00 C ATOM 0 H VAL A 73 -14.157 -1.072 6.039 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.887 1.241 7.354 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.658 1.480 5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -17.010 1.280 6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -16.168 -0.285 6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -16.483 0.456 7.730 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.810 3.332 6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -15.133 2.769 8.248 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.049 3.333 6.955 1.00 0.00 H new ATOM 1098 N GLY A 74 -14.323 0.815 9.594 1.00 0.00 N ATOM 1099 CA GLY A 74 -14.627 0.362 10.925 1.00 0.00 C ATOM 1100 C GLY A 74 -13.629 0.881 11.908 1.00 0.00 C ATOM 1101 O GLY A 74 -13.781 0.707 13.109 1.00 0.00 O ATOM 0 H GLY A 74 -14.320 1.829 9.480 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.626 0.694 11.206 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.634 -0.728 10.949 1.00 0.00 H new ATOM 1105 N GLY A 75 -12.613 1.520 11.401 1.00 0.00 N ATOM 1106 CA GLY A 75 -11.670 2.182 12.247 1.00 0.00 C ATOM 1107 C GLY A 75 -11.979 3.649 12.243 1.00 0.00 C ATOM 1108 O GLY A 75 -12.176 4.225 11.171 1.00 0.00 O ATOM 0 H GLY A 75 -12.419 1.595 10.402 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.726 1.785 13.261 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.654 2.007 11.892 1.00 0.00 H new ATOM 1112 N ASN A 76 -12.049 4.262 13.384 1.00 0.00 N ATOM 1113 CA ASN A 76 -12.388 5.670 13.449 1.00 0.00 C ATOM 1114 C ASN A 76 -11.362 6.454 14.243 1.00 0.00 C ATOM 1115 O ASN A 76 -10.816 5.961 15.235 1.00 0.00 O ATOM 1116 CB ASN A 76 -13.804 5.865 14.033 1.00 0.00 C ATOM 1117 CG ASN A 76 -14.203 7.331 14.176 1.00 0.00 C ATOM 1118 OD1 ASN A 76 -14.026 7.886 15.350 1.00 0.00 O flip ATOM 1119 ND2 ASN A 76 -14.706 7.945 13.241 1.00 0.00 N flip ATOM 0 H ASN A 76 -11.878 3.820 14.287 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.380 6.059 12.431 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.526 5.360 13.392 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.855 5.385 15.010 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.831 7.487 12.338 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.999 8.914 13.366 1.00 0.00 H new ATOM 1126 N LEU A 77 -11.075 7.642 13.774 1.00 0.00 N ATOM 1127 CA LEU A 77 -10.189 8.559 14.436 1.00 0.00 C ATOM 1128 C LEU A 77 -11.050 9.642 15.101 1.00 0.00 C ATOM 1129 O LEU A 77 -11.740 10.401 14.398 1.00 0.00 O ATOM 1130 CB LEU A 77 -9.241 9.205 13.411 1.00 0.00 C ATOM 1131 CG LEU A 77 -8.187 10.168 13.970 1.00 0.00 C ATOM 1132 CD1 LEU A 77 -7.194 9.429 14.849 1.00 0.00 C ATOM 1133 CD2 LEU A 77 -7.471 10.894 12.842 1.00 0.00 C ATOM 0 H LEU A 77 -11.461 8.004 12.902 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.587 8.037 15.180 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.726 8.409 12.873 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.844 9.745 12.681 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.697 10.910 14.584 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.456 10.132 15.234 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.721 8.964 15.682 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.691 8.660 14.263 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.727 11.572 13.260 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.977 10.167 12.197 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.195 11.464 12.259 1.00 0.00 H new ATOM 1145 N PRO A 78 -11.052 9.717 16.444 1.00 0.00 N ATOM 1146 CA PRO A 78 -11.870 10.684 17.193 1.00 0.00 C ATOM 1147 C PRO A 78 -11.493 12.140 16.893 1.00 0.00 C ATOM 1148 O PRO A 78 -10.389 12.425 16.398 1.00 0.00 O ATOM 1149 CB PRO A 78 -11.586 10.348 18.664 1.00 0.00 C ATOM 1150 CG PRO A 78 -10.301 9.598 18.653 1.00 0.00 C ATOM 1151 CD PRO A 78 -10.253 8.868 17.345 1.00 0.00 C ATOM 0 HA PRO A 78 -12.923 10.606 16.923 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.508 11.253 19.267 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.388 9.748 19.093 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.454 10.277 18.751 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.250 8.901 19.490 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.230 8.755 16.986 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.674 7.866 17.430 1.00 0.00 H new ATOM 1159 N ALA A 79 -12.398 13.047 17.189 1.00 0.00 N ATOM 1160 CA ALA A 79 -12.193 14.454 16.936 1.00 0.00 C ATOM 1161 C ALA A 79 -11.187 15.026 17.920 1.00 0.00 C ATOM 1162 O ALA A 79 -11.212 14.687 19.109 1.00 0.00 O ATOM 1163 CB ALA A 79 -13.512 15.202 17.031 1.00 0.00 C ATOM 0 H ALA A 79 -13.299 12.827 17.613 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.797 14.574 15.928 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.344 16.262 16.838 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.209 14.805 16.293 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.930 15.077 18.030 1.00 0.00 H new ATOM 1169 N GLY A 80 -10.287 15.854 17.421 1.00 0.00 N ATOM 1170 CA GLY A 80 -9.288 16.463 18.272 1.00 0.00 C ATOM 1171 C GLY A 80 -8.174 15.506 18.648 1.00 0.00 C ATOM 1172 O GLY A 80 -7.481 15.716 19.638 1.00 0.00 O ATOM 0 H GLY A 80 -10.229 16.117 16.437 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.862 17.327 17.763 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.766 16.831 19.180 1.00 0.00 H new ATOM 1176 N ALA A 81 -8.019 14.442 17.887 1.00 0.00 N ATOM 1177 CA ALA A 81 -6.972 13.476 18.141 1.00 0.00 C ATOM 1178 C ALA A 81 -5.680 13.911 17.475 1.00 0.00 C ATOM 1179 O ALA A 81 -5.701 14.420 16.353 1.00 0.00 O ATOM 1180 CB ALA A 81 -7.379 12.101 17.654 1.00 0.00 C ATOM 0 H ALA A 81 -8.609 14.224 17.084 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.810 13.423 19.218 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.577 11.391 17.855 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.283 11.784 18.174 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.571 12.137 16.582 1.00 0.00 H new ATOM 1186 N THR A 82 -4.581 13.714 18.161 1.00 0.00 N ATOM 1187 CA THR A 82 -3.283 14.095 17.664 1.00 0.00 C ATOM 1188 C THR A 82 -2.453 12.828 17.365 1.00 0.00 C ATOM 1189 O THR A 82 -2.029 12.117 18.280 1.00 0.00 O ATOM 1190 CB THR A 82 -2.570 14.980 18.716 1.00 0.00 C ATOM 1191 OG1 THR A 82 -3.424 16.091 19.057 1.00 0.00 O ATOM 1192 CG2 THR A 82 -1.251 15.511 18.189 1.00 0.00 C ATOM 0 H THR A 82 -4.562 13.282 19.085 1.00 0.00 H new ATOM 0 HA THR A 82 -3.391 14.665 16.742 1.00 0.00 H new ATOM 0 HB THR A 82 -2.367 14.369 19.595 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.978 16.654 19.724 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.776 16.128 18.952 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.597 14.676 17.939 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.431 16.111 17.297 1.00 0.00 H new ATOM 1200 N ILE A 83 -2.245 12.551 16.107 1.00 0.00 N ATOM 1201 CA ILE A 83 -1.558 11.342 15.665 1.00 0.00 C ATOM 1202 C ILE A 83 -0.264 11.695 14.946 1.00 0.00 C ATOM 1203 O ILE A 83 -0.228 12.624 14.159 1.00 0.00 O ATOM 1204 CB ILE A 83 -2.480 10.515 14.696 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -3.707 9.954 15.433 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -1.725 9.396 13.975 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -3.378 8.951 16.527 1.00 0.00 C ATOM 0 H ILE A 83 -2.546 13.156 15.343 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.326 10.743 16.546 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.824 11.212 13.932 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.262 10.783 15.872 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.366 9.478 14.707 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.410 8.858 13.320 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.918 9.825 13.382 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.309 8.706 14.709 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.301 8.607 16.994 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.851 8.101 16.094 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.746 9.426 17.278 1.00 0.00 H new ATOM 1219 N VAL A 84 0.793 10.979 15.240 1.00 0.00 N ATOM 1220 CA VAL A 84 2.040 11.151 14.532 1.00 0.00 C ATOM 1221 C VAL A 84 2.206 9.996 13.524 1.00 0.00 C ATOM 1222 O VAL A 84 2.048 8.816 13.880 1.00 0.00 O ATOM 1223 CB VAL A 84 3.273 11.283 15.502 1.00 0.00 C ATOM 1224 CG1 VAL A 84 3.412 10.086 16.428 1.00 0.00 C ATOM 1225 CG2 VAL A 84 4.566 11.521 14.731 1.00 0.00 C ATOM 0 H VAL A 84 0.815 10.267 15.970 1.00 0.00 H new ATOM 0 HA VAL A 84 2.007 12.095 13.987 1.00 0.00 H new ATOM 0 HB VAL A 84 3.082 12.155 16.127 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.277 10.226 17.076 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.513 9.991 17.037 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.546 9.181 15.835 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.397 11.607 15.431 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.746 10.685 14.056 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.481 12.442 14.154 1.00 0.00 H new ATOM 1235 N TYR A 85 2.471 10.332 12.287 1.00 0.00 N ATOM 1236 CA TYR A 85 2.563 9.352 11.215 1.00 0.00 C ATOM 1237 C TYR A 85 3.958 9.342 10.621 1.00 0.00 C ATOM 1238 O TYR A 85 4.688 10.329 10.744 1.00 0.00 O ATOM 1239 CB TYR A 85 1.504 9.633 10.122 1.00 0.00 C ATOM 1240 CG TYR A 85 1.540 11.045 9.548 1.00 0.00 C ATOM 1241 CD1 TYR A 85 2.344 11.369 8.458 1.00 0.00 C ATOM 1242 CD2 TYR A 85 0.761 12.051 10.100 1.00 0.00 C ATOM 1243 CE1 TYR A 85 2.367 12.656 7.946 1.00 0.00 C ATOM 1244 CE2 TYR A 85 0.783 13.331 9.591 1.00 0.00 C ATOM 1245 CZ TYR A 85 1.580 13.631 8.522 1.00 0.00 C ATOM 1246 OH TYR A 85 1.595 14.921 8.026 1.00 0.00 O ATOM 0 H TYR A 85 2.631 11.293 11.986 1.00 0.00 H new ATOM 0 HA TYR A 85 2.363 8.366 11.635 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.644 8.921 9.308 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.514 9.450 10.539 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.959 10.605 8.005 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.126 11.827 10.944 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.997 12.894 7.102 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.169 14.099 10.038 1.00 0.00 H new ATOM 0 HH TYR A 85 0.982 15.479 8.548 1.00 0.00 H new ATOM 1256 N ASP A 86 4.319 8.235 9.984 1.00 0.00 N ATOM 1257 CA ASP A 86 5.655 8.085 9.388 1.00 0.00 C ATOM 1258 C ASP A 86 5.565 7.817 7.888 1.00 0.00 C ATOM 1259 O ASP A 86 6.594 7.799 7.183 1.00 0.00 O ATOM 1260 CB ASP A 86 6.443 6.925 10.048 1.00 0.00 C ATOM 1261 CG ASP A 86 5.876 5.537 9.740 1.00 0.00 C ATOM 1262 OD1 ASP A 86 6.222 4.941 8.687 1.00 0.00 O ATOM 1263 OD2 ASP A 86 5.083 5.007 10.557 1.00 0.00 O ATOM 0 H ASP A 86 3.711 7.425 9.863 1.00 0.00 H new ATOM 0 HA ASP A 86 6.180 9.025 9.561 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.479 6.966 9.713 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.451 7.072 11.128 1.00 0.00 H new ATOM 1268 N GLU A 87 4.365 7.641 7.390 1.00 0.00 N ATOM 1269 CA GLU A 87 4.181 7.249 6.018 1.00 0.00 C ATOM 1270 C GLU A 87 3.108 8.106 5.371 1.00 0.00 C ATOM 1271 O GLU A 87 2.009 8.244 5.909 1.00 0.00 O ATOM 1272 CB GLU A 87 3.783 5.778 6.009 1.00 0.00 C ATOM 1273 CG GLU A 87 3.740 5.095 4.661 1.00 0.00 C ATOM 1274 CD GLU A 87 3.453 3.623 4.824 1.00 0.00 C ATOM 1275 OE1 GLU A 87 4.305 2.903 5.407 1.00 0.00 O ATOM 1276 OE2 GLU A 87 2.368 3.162 4.456 1.00 0.00 O ATOM 0 H GLU A 87 3.501 7.764 7.918 1.00 0.00 H new ATOM 0 HA GLU A 87 5.099 7.389 5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.481 5.233 6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.798 5.689 6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.972 5.554 4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.691 5.231 4.147 1.00 0.00 H new ATOM 1283 N VAL A 88 3.437 8.702 4.256 1.00 0.00 N ATOM 1284 CA VAL A 88 2.503 9.512 3.502 1.00 0.00 C ATOM 1285 C VAL A 88 2.245 8.818 2.179 1.00 0.00 C ATOM 1286 O VAL A 88 3.187 8.438 1.490 1.00 0.00 O ATOM 1287 CB VAL A 88 3.051 10.952 3.268 1.00 0.00 C ATOM 1288 CG1 VAL A 88 2.111 11.766 2.390 1.00 0.00 C ATOM 1289 CG2 VAL A 88 3.250 11.660 4.597 1.00 0.00 C ATOM 0 H VAL A 88 4.366 8.642 3.838 1.00 0.00 H new ATOM 0 HA VAL A 88 1.576 9.616 4.065 1.00 0.00 H new ATOM 0 HB VAL A 88 4.009 10.864 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.522 12.765 2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.001 11.276 1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.136 11.841 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.633 12.665 4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.297 11.722 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.963 11.102 5.204 1.00 0.00 H new ATOM 1299 N CYS A 89 1.000 8.607 1.857 1.00 0.00 N ATOM 1300 CA CYS A 89 0.631 7.884 0.669 1.00 0.00 C ATOM 1301 C CYS A 89 -0.403 8.652 -0.155 1.00 0.00 C ATOM 1302 O CYS A 89 -1.166 9.418 0.383 1.00 0.00 O ATOM 1303 CB CYS A 89 0.037 6.539 1.085 1.00 0.00 C ATOM 1304 SG CYS A 89 1.116 5.519 2.105 1.00 0.00 S ATOM 0 H CYS A 89 0.208 8.932 2.412 1.00 0.00 H new ATOM 0 HA CYS A 89 1.520 7.747 0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.890 6.720 1.630 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.225 5.980 0.187 1.00 0.00 H new ATOM 0 HG CYS A 89 0.747 4.275 2.018 1.00 0.00 H new ATOM 1310 N ILE A 90 -0.391 8.460 -1.453 1.00 0.00 N ATOM 1311 CA ILE A 90 -1.416 9.001 -2.335 1.00 0.00 C ATOM 1312 C ILE A 90 -2.092 7.862 -3.082 1.00 0.00 C ATOM 1313 O ILE A 90 -1.439 7.107 -3.823 1.00 0.00 O ATOM 1314 CB ILE A 90 -0.890 10.060 -3.382 1.00 0.00 C ATOM 1315 CG1 ILE A 90 -0.425 11.357 -2.696 1.00 0.00 C ATOM 1316 CG2 ILE A 90 -1.967 10.379 -4.436 1.00 0.00 C ATOM 1317 CD1 ILE A 90 0.018 12.449 -3.674 1.00 0.00 C ATOM 0 H ILE A 90 0.330 7.923 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.114 9.532 -1.688 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.030 9.613 -3.882 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.237 11.742 -2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.402 11.126 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.578 11.111 -5.144 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.237 9.467 -4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.850 10.786 -3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.331 13.332 -3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.852 12.084 -4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.813 12.710 -4.329 1.00 0.00 H new ATOM 1329 N GLN A 91 -3.365 7.713 -2.842 1.00 0.00 N ATOM 1330 CA GLN A 91 -4.198 6.783 -3.562 1.00 0.00 C ATOM 1331 C GLN A 91 -5.121 7.662 -4.375 1.00 0.00 C ATOM 1332 O GLN A 91 -5.492 8.721 -3.894 1.00 0.00 O ATOM 1333 CB GLN A 91 -4.972 5.862 -2.580 1.00 0.00 C ATOM 1334 CG GLN A 91 -5.949 4.873 -3.225 1.00 0.00 C ATOM 1335 CD GLN A 91 -5.267 3.943 -4.227 1.00 0.00 C ATOM 1336 OE1 GLN A 91 -5.145 4.273 -5.403 1.00 0.00 O ATOM 1337 NE2 GLN A 91 -4.864 2.781 -3.788 1.00 0.00 N ATOM 0 H GLN A 91 -3.864 8.243 -2.128 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.630 6.105 -4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.247 5.298 -1.993 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.527 6.490 -1.883 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.424 4.276 -2.446 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.741 5.427 -3.729 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.981 2.539 -2.804 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.432 2.115 -4.429 1.00 0.00 H new ATOM 1346 N ALA A 92 -5.475 7.254 -5.575 1.00 0.00 N ATOM 1347 CA ALA A 92 -6.202 8.126 -6.510 1.00 0.00 C ATOM 1348 C ALA A 92 -7.450 8.787 -5.894 1.00 0.00 C ATOM 1349 O ALA A 92 -8.490 8.148 -5.703 1.00 0.00 O ATOM 1350 CB ALA A 92 -6.580 7.346 -7.756 1.00 0.00 C ATOM 0 H ALA A 92 -5.276 6.322 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.524 8.940 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.118 7.998 -8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.677 6.974 -8.240 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.217 6.505 -7.480 1.00 0.00 H new ATOM 1356 N GLY A 93 -7.319 10.076 -5.577 1.00 0.00 N ATOM 1357 CA GLY A 93 -8.416 10.829 -5.027 1.00 0.00 C ATOM 1358 C GLY A 93 -8.169 11.321 -3.604 1.00 0.00 C ATOM 1359 O GLY A 93 -8.748 12.314 -3.182 1.00 0.00 O ATOM 0 H GLY A 93 -6.458 10.609 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.615 11.687 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.312 10.209 -5.037 1.00 0.00 H new ATOM 1363 N HIS A 94 -7.296 10.665 -2.865 1.00 0.00 N ATOM 1364 CA HIS A 94 -7.040 11.046 -1.468 1.00 0.00 C ATOM 1365 C HIS A 94 -5.616 10.784 -1.059 1.00 0.00 C ATOM 1366 O HIS A 94 -4.999 9.818 -1.496 1.00 0.00 O ATOM 1367 CB HIS A 94 -7.985 10.318 -0.481 1.00 0.00 C ATOM 1368 CG HIS A 94 -9.369 10.882 -0.397 1.00 0.00 C ATOM 1369 ND1 HIS A 94 -10.415 10.470 -1.189 1.00 0.00 N ATOM 1370 CD2 HIS A 94 -9.870 11.849 0.398 1.00 0.00 C ATOM 1371 CE1 HIS A 94 -11.489 11.159 -0.887 1.00 0.00 C ATOM 1372 NE2 HIS A 94 -11.189 12.005 0.070 1.00 0.00 N ATOM 0 H HIS A 94 -6.750 9.869 -3.195 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.232 12.118 -1.420 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.053 9.270 -0.773 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.538 10.344 0.513 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.363 9.741 -1.901 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.330 12.399 1.154 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.459 11.049 -1.349 1.00 0.00 H new ATOM 1381 N ILE A 95 -5.104 11.631 -0.221 1.00 0.00 N ATOM 1382 CA ILE A 95 -3.811 11.414 0.342 1.00 0.00 C ATOM 1383 C ILE A 95 -4.057 10.702 1.670 1.00 0.00 C ATOM 1384 O ILE A 95 -5.026 10.998 2.356 1.00 0.00 O ATOM 1385 CB ILE A 95 -3.007 12.753 0.515 1.00 0.00 C ATOM 1386 CG1 ILE A 95 -1.588 12.495 1.047 1.00 0.00 C ATOM 1387 CG2 ILE A 95 -3.742 13.729 1.410 1.00 0.00 C ATOM 1388 CD1 ILE A 95 -0.734 13.744 1.155 1.00 0.00 C ATOM 0 H ILE A 95 -5.567 12.485 0.089 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.187 10.810 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.919 13.202 -0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.658 12.029 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.089 11.782 0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.158 14.644 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.713 13.963 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.885 13.283 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.252 13.479 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.630 14.200 0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.209 14.452 1.835 1.00 0.00 H new ATOM 1400 N TRP A 96 -3.262 9.742 1.977 1.00 0.00 N ATOM 1401 CA TRP A 96 -3.471 8.933 3.142 1.00 0.00 C ATOM 1402 C TRP A 96 -2.253 8.966 4.010 1.00 0.00 C ATOM 1403 O TRP A 96 -1.127 8.961 3.510 1.00 0.00 O ATOM 1404 CB TRP A 96 -3.770 7.474 2.738 1.00 0.00 C ATOM 1405 CG TRP A 96 -4.990 7.313 1.881 1.00 0.00 C ATOM 1406 CD1 TRP A 96 -5.075 7.486 0.537 1.00 0.00 C ATOM 1407 CD2 TRP A 96 -6.293 6.937 2.310 1.00 0.00 C ATOM 1408 NE1 TRP A 96 -6.358 7.268 0.111 1.00 0.00 N ATOM 1409 CE2 TRP A 96 -7.123 6.926 1.174 1.00 0.00 C ATOM 1410 CE3 TRP A 96 -6.842 6.619 3.542 1.00 0.00 C ATOM 1411 CZ2 TRP A 96 -8.468 6.607 1.237 1.00 0.00 C ATOM 1412 CZ3 TRP A 96 -8.174 6.303 3.606 1.00 0.00 C ATOM 1413 CH2 TRP A 96 -8.979 6.300 2.458 1.00 0.00 C ATOM 0 H TRP A 96 -2.440 9.487 1.429 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.323 9.332 3.692 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -2.909 7.073 2.204 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.892 6.876 3.641 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -4.249 7.757 -0.104 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -6.684 7.350 -0.852 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -6.233 6.620 4.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.086 6.602 0.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.613 6.051 4.560 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.026 6.049 2.546 1.00 0.00 H new ATOM 1424 N ILE A 97 -2.456 9.050 5.285 1.00 0.00 N ATOM 1425 CA ILE A 97 -1.358 8.952 6.202 1.00 0.00 C ATOM 1426 C ILE A 97 -1.362 7.565 6.811 1.00 0.00 C ATOM 1427 O ILE A 97 -2.423 7.055 7.216 1.00 0.00 O ATOM 1428 CB ILE A 97 -1.364 10.041 7.321 1.00 0.00 C ATOM 1429 CG1 ILE A 97 -2.628 9.952 8.193 1.00 0.00 C ATOM 1430 CG2 ILE A 97 -1.227 11.428 6.701 1.00 0.00 C ATOM 1431 CD1 ILE A 97 -2.623 10.861 9.405 1.00 0.00 C ATOM 0 H ILE A 97 -3.369 9.186 5.718 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.444 9.129 5.635 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.510 9.860 7.974 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.495 10.193 7.578 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.751 8.922 8.528 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.232 12.181 7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.290 11.488 6.148 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.061 11.607 6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.552 10.732 9.961 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.779 10.608 10.046 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.535 11.898 9.082 1.00 0.00 H new ATOM 1443 N GLY A 98 -0.222 6.946 6.824 1.00 0.00 N ATOM 1444 CA GLY A 98 -0.097 5.633 7.364 1.00 0.00 C ATOM 1445 C GLY A 98 0.562 5.674 8.704 1.00 0.00 C ATOM 1446 O GLY A 98 1.658 6.247 8.854 1.00 0.00 O ATOM 0 H GLY A 98 0.646 7.339 6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.082 5.175 7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.485 5.009 6.686 1.00 0.00 H new ATOM 1450 N TYR A 99 -0.090 5.120 9.685 1.00 0.00 N ATOM 1451 CA TYR A 99 0.460 5.082 11.006 1.00 0.00 C ATOM 1452 C TYR A 99 0.195 3.731 11.625 1.00 0.00 C ATOM 1453 O TYR A 99 -0.724 3.019 11.212 1.00 0.00 O ATOM 1454 CB TYR A 99 -0.105 6.219 11.895 1.00 0.00 C ATOM 1455 CG TYR A 99 -1.600 6.140 12.212 1.00 0.00 C ATOM 1456 CD1 TYR A 99 -2.556 6.638 11.329 1.00 0.00 C ATOM 1457 CD2 TYR A 99 -2.044 5.582 13.409 1.00 0.00 C ATOM 1458 CE1 TYR A 99 -3.908 6.577 11.633 1.00 0.00 C ATOM 1459 CE2 TYR A 99 -3.389 5.520 13.719 1.00 0.00 C ATOM 1460 CZ TYR A 99 -4.317 6.017 12.831 1.00 0.00 C ATOM 1461 OH TYR A 99 -5.664 5.957 13.145 1.00 0.00 O ATOM 0 H TYR A 99 -1.009 4.686 9.592 1.00 0.00 H new ATOM 0 HA TYR A 99 1.536 5.239 10.935 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.446 6.226 12.835 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.092 7.171 11.402 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.240 7.078 10.395 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.322 5.190 14.109 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.638 6.965 10.938 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.711 5.084 14.653 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.777 5.533 14.021 1.00 0.00 H new ATOM 1471 N ASN A 100 1.003 3.357 12.563 1.00 0.00 N ATOM 1472 CA ASN A 100 0.794 2.122 13.278 1.00 0.00 C ATOM 1473 C ASN A 100 0.100 2.443 14.570 1.00 0.00 C ATOM 1474 O ASN A 100 0.603 3.238 15.360 1.00 0.00 O ATOM 1475 CB ASN A 100 2.118 1.382 13.548 1.00 0.00 C ATOM 1476 CG ASN A 100 1.915 0.083 14.336 1.00 0.00 C ATOM 1477 OD1 ASN A 100 1.668 -0.972 13.758 1.00 0.00 O ATOM 1478 ND2 ASN A 100 2.041 0.143 15.635 1.00 0.00 N ATOM 0 H ASN A 100 1.822 3.887 12.860 1.00 0.00 H new ATOM 0 HA ASN A 100 0.182 1.457 12.669 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.604 1.155 12.599 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.790 2.037 14.101 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.934 -0.701 16.197 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.246 1.034 16.087 1.00 0.00 H new ATOM 1485 N ALA A 101 -1.057 1.887 14.758 1.00 0.00 N ATOM 1486 CA ALA A 101 -1.808 2.108 15.965 1.00 0.00 C ATOM 1487 C ALA A 101 -1.321 1.144 17.024 1.00 0.00 C ATOM 1488 O ALA A 101 -0.729 0.124 16.689 1.00 0.00 O ATOM 1489 CB ALA A 101 -3.288 1.903 15.703 1.00 0.00 C ATOM 0 H ALA A 101 -1.510 1.269 14.085 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.662 3.132 16.309 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.847 2.073 16.623 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.623 2.605 14.940 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.459 0.883 15.358 1.00 0.00 H new ATOM 1495 N TYR A 102 -1.612 1.432 18.288 1.00 0.00 N ATOM 1496 CA TYR A 102 -1.187 0.589 19.432 1.00 0.00 C ATOM 1497 C TYR A 102 -1.704 -0.860 19.335 1.00 0.00 C ATOM 1498 O TYR A 102 -1.236 -1.750 20.029 1.00 0.00 O ATOM 1499 CB TYR A 102 -1.588 1.233 20.781 1.00 0.00 C ATOM 1500 CG TYR A 102 -3.074 1.506 20.974 1.00 0.00 C ATOM 1501 CD1 TYR A 102 -3.908 0.555 21.545 1.00 0.00 C ATOM 1502 CD2 TYR A 102 -3.635 2.724 20.605 1.00 0.00 C ATOM 1503 CE1 TYR A 102 -5.252 0.804 21.736 1.00 0.00 C ATOM 1504 CE2 TYR A 102 -4.974 2.981 20.797 1.00 0.00 C ATOM 1505 CZ TYR A 102 -5.778 2.020 21.360 1.00 0.00 C ATOM 1506 OH TYR A 102 -7.116 2.277 21.554 1.00 0.00 O ATOM 0 H TYR A 102 -2.149 2.254 18.563 1.00 0.00 H new ATOM 0 HA TYR A 102 -0.099 0.534 19.386 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.251 0.581 21.587 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -1.049 2.175 20.886 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.498 -0.398 21.846 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -3.009 3.483 20.159 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.887 0.050 22.177 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -5.390 3.934 20.506 1.00 0.00 H new ATOM 0 HH TYR A 102 -7.325 3.180 21.236 1.00 0.00 H new ATOM 1516 N ASN A 103 -2.655 -1.074 18.451 1.00 0.00 N ATOM 1517 CA ASN A 103 -3.219 -2.392 18.194 1.00 0.00 C ATOM 1518 C ASN A 103 -2.264 -3.234 17.313 1.00 0.00 C ATOM 1519 O ASN A 103 -2.392 -4.457 17.210 1.00 0.00 O ATOM 1520 CB ASN A 103 -4.596 -2.224 17.517 1.00 0.00 C ATOM 1521 CG ASN A 103 -5.276 -3.536 17.142 1.00 0.00 C ATOM 1522 OD1 ASN A 103 -5.115 -4.034 16.037 1.00 0.00 O ATOM 1523 ND2 ASN A 103 -6.032 -4.094 18.045 1.00 0.00 N ATOM 0 H ASN A 103 -3.066 -0.334 17.882 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.346 -2.925 19.136 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.251 -1.667 18.187 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.474 -1.621 16.617 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -6.510 -4.971 17.839 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.146 -3.653 18.958 1.00 0.00 H new ATOM 1530 N GLY A 104 -1.277 -2.569 16.719 1.00 0.00 N ATOM 1531 CA GLY A 104 -0.366 -3.233 15.804 1.00 0.00 C ATOM 1532 C GLY A 104 -0.928 -3.208 14.417 1.00 0.00 C ATOM 1533 O GLY A 104 -0.514 -3.960 13.541 1.00 0.00 O ATOM 0 H GLY A 104 -1.092 -1.575 16.857 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.605 -2.738 15.821 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.204 -4.263 16.122 1.00 0.00 H new ATOM 1537 N ASN A 105 -1.900 -2.350 14.247 1.00 0.00 N ATOM 1538 CA ASN A 105 -2.623 -2.190 13.010 1.00 0.00 C ATOM 1539 C ASN A 105 -2.030 -1.021 12.229 1.00 0.00 C ATOM 1540 O ASN A 105 -1.785 0.051 12.803 1.00 0.00 O ATOM 1541 CB ASN A 105 -4.083 -1.878 13.341 1.00 0.00 C ATOM 1542 CG ASN A 105 -5.050 -2.062 12.184 1.00 0.00 C ATOM 1543 OD1 ASN A 105 -4.686 -1.983 11.006 1.00 0.00 O ATOM 1544 ND2 ASN A 105 -6.297 -2.265 12.519 1.00 0.00 N ATOM 0 H ASN A 105 -2.220 -1.725 14.986 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.555 -3.100 12.414 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -4.399 -2.517 14.166 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.150 -0.848 13.692 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.010 -2.364 11.796 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.557 -2.324 13.503 1.00 0.00 H new ATOM 1551 N ARG A 106 -1.783 -1.216 10.961 1.00 0.00 N ATOM 1552 CA ARG A 106 -1.309 -0.158 10.115 1.00 0.00 C ATOM 1553 C ARG A 106 -2.539 0.527 9.525 1.00 0.00 C ATOM 1554 O ARG A 106 -3.159 0.026 8.580 1.00 0.00 O ATOM 1555 CB ARG A 106 -0.412 -0.727 9.011 1.00 0.00 C ATOM 1556 CG ARG A 106 0.403 0.299 8.233 1.00 0.00 C ATOM 1557 CD ARG A 106 1.406 1.020 9.135 1.00 0.00 C ATOM 1558 NE ARG A 106 2.359 1.831 8.359 1.00 0.00 N ATOM 1559 CZ ARG A 106 3.250 2.707 8.870 1.00 0.00 C ATOM 1560 NH1 ARG A 106 3.264 2.996 10.165 1.00 0.00 N ATOM 1561 NH2 ARG A 106 4.124 3.285 8.076 1.00 0.00 N ATOM 0 H ARG A 106 -1.905 -2.111 10.488 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.711 0.559 10.677 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.274 -1.446 9.459 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.036 -1.278 8.308 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.934 -0.197 7.421 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.267 1.028 7.777 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.870 1.661 9.835 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.952 0.287 9.729 1.00 0.00 H new ATOM 0 HE ARG A 106 2.345 1.721 7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.594 2.553 10.794 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.945 3.661 10.532 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.127 3.071 7.079 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.799 3.948 8.457 1.00 0.00 H new ATOM 1575 N VAL A 107 -2.910 1.626 10.112 1.00 0.00 N ATOM 1576 CA VAL A 107 -4.128 2.306 9.755 1.00 0.00 C ATOM 1577 C VAL A 107 -3.818 3.483 8.839 1.00 0.00 C ATOM 1578 O VAL A 107 -2.787 4.153 9.004 1.00 0.00 O ATOM 1579 CB VAL A 107 -4.875 2.805 11.029 1.00 0.00 C ATOM 1580 CG1 VAL A 107 -6.225 3.402 10.683 1.00 0.00 C ATOM 1581 CG2 VAL A 107 -5.041 1.683 12.046 1.00 0.00 C ATOM 0 H VAL A 107 -2.378 2.080 10.854 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.774 1.603 9.229 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.261 3.587 11.475 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.718 3.739 11.595 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.087 4.249 10.010 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.842 2.648 10.195 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.565 2.062 12.923 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.617 0.871 11.601 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.060 1.312 12.342 1.00 0.00 H new ATOM 1591 N TYR A 108 -4.684 3.709 7.873 1.00 0.00 N ATOM 1592 CA TYR A 108 -4.558 4.806 6.942 1.00 0.00 C ATOM 1593 C TYR A 108 -5.715 5.783 7.119 1.00 0.00 C ATOM 1594 O TYR A 108 -6.885 5.377 7.150 1.00 0.00 O ATOM 1595 CB TYR A 108 -4.513 4.298 5.491 1.00 0.00 C ATOM 1596 CG TYR A 108 -3.240 3.565 5.115 1.00 0.00 C ATOM 1597 CD1 TYR A 108 -3.079 2.205 5.372 1.00 0.00 C ATOM 1598 CD2 TYR A 108 -2.200 4.238 4.491 1.00 0.00 C ATOM 1599 CE1 TYR A 108 -1.914 1.547 5.020 1.00 0.00 C ATOM 1600 CE2 TYR A 108 -1.040 3.587 4.134 1.00 0.00 C ATOM 1601 CZ TYR A 108 -0.898 2.247 4.397 1.00 0.00 C ATOM 1602 OH TYR A 108 0.273 1.597 4.035 1.00 0.00 O ATOM 0 H TYR A 108 -5.506 3.127 7.712 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.621 5.321 7.152 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.361 3.633 5.327 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.639 5.147 4.819 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.875 1.656 5.853 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.302 5.293 4.281 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.799 0.494 5.231 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.243 4.130 3.648 1.00 0.00 H new ATOM 0 HH TYR A 108 1.042 2.076 4.409 1.00 0.00 H new ATOM 1612 N CYS A 109 -5.395 7.042 7.254 1.00 0.00 N ATOM 1613 CA CYS A 109 -6.398 8.080 7.415 1.00 0.00 C ATOM 1614 C CYS A 109 -6.466 8.910 6.128 1.00 0.00 C ATOM 1615 O CYS A 109 -5.425 9.284 5.590 1.00 0.00 O ATOM 1616 CB CYS A 109 -6.065 8.958 8.636 1.00 0.00 C ATOM 1617 SG CYS A 109 -7.289 10.235 9.031 1.00 0.00 S ATOM 0 H CYS A 109 -4.434 7.385 7.257 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.375 7.631 7.594 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -5.946 8.312 9.505 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.103 9.441 8.464 1.00 0.00 H new ATOM 0 HG CYS A 109 -6.898 10.903 10.075 1.00 0.00 H new ATOM 1623 N PRO A 110 -7.698 9.186 5.613 1.00 0.00 N ATOM 1624 CA PRO A 110 -7.905 9.884 4.321 1.00 0.00 C ATOM 1625 C PRO A 110 -7.585 11.376 4.343 1.00 0.00 C ATOM 1626 O PRO A 110 -7.605 11.999 3.296 1.00 0.00 O ATOM 1627 CB PRO A 110 -9.391 9.666 4.035 1.00 0.00 C ATOM 1628 CG PRO A 110 -10.011 9.501 5.376 1.00 0.00 C ATOM 1629 CD PRO A 110 -8.985 8.812 6.234 1.00 0.00 C ATOM 0 HA PRO A 110 -7.229 9.488 3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.820 10.514 3.501 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.550 8.785 3.414 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.286 10.467 5.799 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -10.924 8.910 5.312 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.041 9.145 7.270 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.128 7.731 6.239 1.00 0.00 H new ATOM 1637 N VAL A 111 -7.362 11.916 5.562 1.00 0.00 N ATOM 1638 CA VAL A 111 -6.929 13.319 5.869 1.00 0.00 C ATOM 1639 C VAL A 111 -7.523 14.482 4.997 1.00 0.00 C ATOM 1640 O VAL A 111 -8.267 15.328 5.517 1.00 0.00 O ATOM 1641 CB VAL A 111 -5.389 13.445 6.069 1.00 0.00 C ATOM 1642 CG1 VAL A 111 -4.964 12.647 7.276 1.00 0.00 C ATOM 1643 CG2 VAL A 111 -4.611 12.971 4.859 1.00 0.00 C ATOM 0 H VAL A 111 -7.483 11.364 6.411 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.417 13.492 6.828 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.168 14.502 6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.886 12.738 7.412 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.475 13.026 8.161 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.224 11.599 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.543 13.079 5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.841 11.923 4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.888 13.569 3.991 1.00 0.00 H new ATOM 1653 N ARG A 112 -7.176 14.538 3.722 1.00 0.00 N ATOM 1654 CA ARG A 112 -7.716 15.507 2.796 1.00 0.00 C ATOM 1655 C ARG A 112 -7.803 14.894 1.411 1.00 0.00 C ATOM 1656 O ARG A 112 -7.006 14.016 1.055 1.00 0.00 O ATOM 1657 CB ARG A 112 -6.907 16.829 2.731 1.00 0.00 C ATOM 1658 CG ARG A 112 -5.460 16.693 2.316 1.00 0.00 C ATOM 1659 CD ARG A 112 -4.839 18.042 1.927 1.00 0.00 C ATOM 1660 NE ARG A 112 -4.990 19.096 2.940 1.00 0.00 N ATOM 1661 CZ ARG A 112 -3.979 19.722 3.579 1.00 0.00 C ATOM 1662 NH1 ARG A 112 -2.730 19.300 3.443 1.00 0.00 N ATOM 1663 NH2 ARG A 112 -4.235 20.776 4.358 1.00 0.00 N ATOM 0 H ARG A 112 -6.501 13.900 3.300 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.707 15.770 3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -7.404 17.503 2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -6.941 17.303 3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -4.889 16.255 3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.389 16.006 1.473 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -3.777 17.895 1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -5.293 18.382 0.996 1.00 0.00 H new ATOM 0 HE ARG A 112 -5.940 19.379 3.181 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.525 18.495 2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.974 19.780 3.930 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -5.193 21.107 4.470 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.472 21.250 4.842 1.00 0.00 H new ATOM 1677 N THR A 113 -8.772 15.322 0.653 1.00 0.00 N ATOM 1678 CA THR A 113 -8.926 14.882 -0.711 1.00 0.00 C ATOM 1679 C THR A 113 -7.760 15.433 -1.553 1.00 0.00 C ATOM 1680 O THR A 113 -7.381 16.596 -1.396 1.00 0.00 O ATOM 1681 CB THR A 113 -10.291 15.365 -1.248 1.00 0.00 C ATOM 1682 OG1 THR A 113 -11.327 14.866 -0.376 1.00 0.00 O ATOM 1683 CG2 THR A 113 -10.555 14.870 -2.666 1.00 0.00 C ATOM 0 H THR A 113 -9.481 15.988 0.961 1.00 0.00 H new ATOM 0 HA THR A 113 -8.904 13.794 -0.769 1.00 0.00 H new ATOM 0 HB THR A 113 -10.283 16.455 -1.272 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.305 13.886 -0.369 1.00 0.00 H new ATOM 0 HG21 THR A 113 -11.526 15.233 -3.003 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.777 15.242 -3.332 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.552 13.780 -2.677 1.00 0.00 H new ATOM 1691 N CYS A 114 -7.165 14.591 -2.366 1.00 0.00 N ATOM 1692 CA CYS A 114 -6.043 14.966 -3.205 1.00 0.00 C ATOM 1693 C CYS A 114 -6.017 14.125 -4.450 1.00 0.00 C ATOM 1694 O CYS A 114 -5.674 12.943 -4.410 1.00 0.00 O ATOM 1695 CB CYS A 114 -4.691 14.866 -2.469 1.00 0.00 C ATOM 1696 SG CYS A 114 -4.475 16.074 -1.142 1.00 0.00 S ATOM 0 H CYS A 114 -7.447 13.616 -2.467 1.00 0.00 H new ATOM 0 HA CYS A 114 -6.185 16.013 -3.474 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -4.591 13.864 -2.052 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.886 14.992 -3.193 1.00 0.00 H new ATOM 0 HG CYS A 114 -5.618 16.633 -0.874 1.00 0.00 H new ATOM 1702 N GLN A 115 -6.429 14.709 -5.527 1.00 0.00 N ATOM 1703 CA GLN A 115 -6.402 14.045 -6.794 1.00 0.00 C ATOM 1704 C GLN A 115 -5.058 14.313 -7.417 1.00 0.00 C ATOM 1705 O GLN A 115 -4.508 15.414 -7.249 1.00 0.00 O ATOM 1706 CB GLN A 115 -7.517 14.584 -7.683 1.00 0.00 C ATOM 1707 CG GLN A 115 -8.905 14.369 -7.108 1.00 0.00 C ATOM 1708 CD GLN A 115 -9.975 15.088 -7.891 1.00 0.00 C ATOM 1709 OE1 GLN A 115 -10.560 14.542 -8.835 1.00 0.00 O ATOM 1710 NE2 GLN A 115 -10.244 16.307 -7.514 1.00 0.00 N ATOM 0 H GLN A 115 -6.795 15.661 -5.556 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.555 12.973 -6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -7.360 15.651 -7.844 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -7.458 14.103 -8.659 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -9.127 13.302 -7.092 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -8.923 14.713 -6.074 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -9.739 16.722 -6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -10.959 16.846 -8.002 1.00 0.00 H new ATOM 1719 N GLY A 116 -4.500 13.341 -8.060 1.00 0.00 N ATOM 1720 CA GLY A 116 -3.247 13.562 -8.691 1.00 0.00 C ATOM 1721 C GLY A 116 -2.310 12.420 -8.550 1.00 0.00 C ATOM 1722 O GLY A 116 -2.620 11.417 -7.900 1.00 0.00 O ATOM 0 H GLY A 116 -4.886 12.402 -8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -3.411 13.760 -9.750 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.787 14.455 -8.268 1.00 0.00 H new ATOM 1726 N VAL A 117 -1.169 12.578 -9.152 1.00 0.00 N ATOM 1727 CA VAL A 117 -0.112 11.613 -9.134 1.00 0.00 C ATOM 1728 C VAL A 117 1.152 12.379 -8.825 1.00 0.00 C ATOM 1729 O VAL A 117 1.375 13.433 -9.426 1.00 0.00 O ATOM 1730 CB VAL A 117 0.044 10.886 -10.517 1.00 0.00 C ATOM 1731 CG1 VAL A 117 1.210 9.899 -10.506 1.00 0.00 C ATOM 1732 CG2 VAL A 117 -1.237 10.158 -10.894 1.00 0.00 C ATOM 0 H VAL A 117 -0.941 13.415 -9.689 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.325 10.841 -8.394 1.00 0.00 H new ATOM 0 HB VAL A 117 0.251 11.655 -11.261 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.287 9.415 -11.480 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.136 10.432 -10.292 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.040 9.144 -9.738 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.104 9.662 -11.856 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.471 9.415 -10.132 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -2.055 10.875 -10.965 1.00 0.00 H new ATOM 1742 N PRO A 118 1.956 11.910 -7.846 1.00 0.00 N ATOM 1743 CA PRO A 118 3.206 12.558 -7.450 1.00 0.00 C ATOM 1744 C PRO A 118 4.065 13.025 -8.650 1.00 0.00 C ATOM 1745 O PRO A 118 4.317 12.260 -9.596 1.00 0.00 O ATOM 1746 CB PRO A 118 3.926 11.459 -6.681 1.00 0.00 C ATOM 1747 CG PRO A 118 2.833 10.691 -6.045 1.00 0.00 C ATOM 1748 CD PRO A 118 1.681 10.719 -7.014 1.00 0.00 C ATOM 0 HA PRO A 118 3.023 13.469 -6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 118 4.521 10.831 -7.345 1.00 0.00 H new ATOM 0 HB3 PRO A 118 4.608 11.873 -5.938 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.145 9.667 -5.840 1.00 0.00 H new ATOM 0 HG3 PRO A 118 2.550 11.135 -5.091 1.00 0.00 H new ATOM 0 HD2 PRO A 118 1.640 9.811 -7.615 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.725 10.803 -6.498 1.00 0.00 H new ATOM 1756 N PRO A 119 4.557 14.272 -8.610 1.00 0.00 N ATOM 1757 CA PRO A 119 4.397 15.162 -7.464 1.00 0.00 C ATOM 1758 C PRO A 119 3.126 16.032 -7.493 1.00 0.00 C ATOM 1759 O PRO A 119 2.812 16.685 -6.492 1.00 0.00 O ATOM 1760 CB PRO A 119 5.639 16.050 -7.553 1.00 0.00 C ATOM 1761 CG PRO A 119 6.068 16.026 -8.995 1.00 0.00 C ATOM 1762 CD PRO A 119 5.312 14.916 -9.687 1.00 0.00 C ATOM 0 HA PRO A 119 4.294 14.589 -6.542 1.00 0.00 H new ATOM 0 HB2 PRO A 119 5.415 17.067 -7.230 1.00 0.00 H new ATOM 0 HB3 PRO A 119 6.432 15.677 -6.904 1.00 0.00 H new ATOM 0 HG2 PRO A 119 5.859 16.984 -9.471 1.00 0.00 H new ATOM 0 HG3 PRO A 119 7.143 15.860 -9.070 1.00 0.00 H new ATOM 0 HD2 PRO A 119 4.650 15.306 -10.460 1.00 0.00 H new ATOM 0 HD3 PRO A 119 5.990 14.215 -10.173 1.00 0.00 H new ATOM 1770 N ASN A 120 2.361 15.993 -8.593 1.00 0.00 N ATOM 1771 CA ASN A 120 1.217 16.902 -8.737 1.00 0.00 C ATOM 1772 C ASN A 120 0.030 16.469 -7.910 1.00 0.00 C ATOM 1773 O ASN A 120 -0.735 15.569 -8.277 1.00 0.00 O ATOM 1774 CB ASN A 120 0.794 17.094 -10.200 1.00 0.00 C ATOM 1775 CG ASN A 120 1.848 17.776 -11.040 1.00 0.00 C ATOM 1776 OD1 ASN A 120 2.693 17.117 -11.646 1.00 0.00 O ATOM 1777 ND2 ASN A 120 1.808 19.085 -11.099 1.00 0.00 N ATOM 0 H ASN A 120 2.508 15.358 -9.378 1.00 0.00 H new ATOM 0 HA ASN A 120 1.565 17.863 -8.359 1.00 0.00 H new ATOM 0 HB2 ASN A 120 0.565 16.122 -10.636 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -0.123 17.682 -10.232 1.00 0.00 H new ATOM 0 HD21 ASN A 120 2.492 19.591 -11.661 1.00 0.00 H new ATOM 0 HD22 ASN A 120 1.093 19.597 -10.583 1.00 0.00 H new ATOM 1784 N HIS A 121 -0.104 17.128 -6.798 1.00 0.00 N ATOM 1785 CA HIS A 121 -1.174 16.923 -5.852 1.00 0.00 C ATOM 1786 C HIS A 121 -2.191 18.060 -5.921 1.00 0.00 C ATOM 1787 O HIS A 121 -1.806 19.232 -5.863 1.00 0.00 O ATOM 1788 CB HIS A 121 -0.603 16.743 -4.409 1.00 0.00 C ATOM 1789 CG HIS A 121 0.336 17.847 -3.933 1.00 0.00 C ATOM 1790 ND1 HIS A 121 1.701 17.818 -4.140 1.00 0.00 N ATOM 1791 CD2 HIS A 121 0.093 19.002 -3.256 1.00 0.00 C ATOM 1792 CE1 HIS A 121 2.248 18.894 -3.618 1.00 0.00 C ATOM 1793 NE2 HIS A 121 1.301 19.627 -3.078 1.00 0.00 N ATOM 0 H HIS A 121 0.552 17.853 -6.508 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.699 16.005 -6.117 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.438 16.675 -3.712 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -0.071 15.793 -4.363 1.00 0.00 H new ATOM 0 HD1 HIS A 121 2.207 17.076 -4.623 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -0.870 19.359 -2.922 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.301 19.135 -3.631 1.00 0.00 H new ATOM 1802 N ILE A 122 -3.453 17.742 -6.097 1.00 0.00 N ATOM 1803 CA ILE A 122 -4.505 18.752 -6.052 1.00 0.00 C ATOM 1804 C ILE A 122 -5.183 18.689 -4.677 1.00 0.00 C ATOM 1805 O ILE A 122 -5.959 17.764 -4.406 1.00 0.00 O ATOM 1806 CB ILE A 122 -5.571 18.541 -7.166 1.00 0.00 C ATOM 1807 CG1 ILE A 122 -4.899 18.510 -8.545 1.00 0.00 C ATOM 1808 CG2 ILE A 122 -6.627 19.652 -7.112 1.00 0.00 C ATOM 1809 CD1 ILE A 122 -5.852 18.252 -9.694 1.00 0.00 C ATOM 0 H ILE A 122 -3.784 16.793 -6.273 1.00 0.00 H new ATOM 0 HA ILE A 122 -4.049 19.728 -6.220 1.00 0.00 H new ATOM 0 HB ILE A 122 -6.066 17.584 -6.998 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -4.395 19.462 -8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -4.130 17.737 -8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -7.366 19.491 -7.897 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -7.121 19.637 -6.141 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.146 20.619 -7.260 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -5.297 18.246 -10.632 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -6.338 17.287 -9.554 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -6.607 19.038 -9.724 1.00 0.00 H new ATOM 1821 N PRO A 123 -4.887 19.648 -3.790 1.00 0.00 N ATOM 1822 CA PRO A 123 -5.403 19.642 -2.426 1.00 0.00 C ATOM 1823 C PRO A 123 -6.866 20.087 -2.333 1.00 0.00 C ATOM 1824 O PRO A 123 -7.241 21.174 -2.785 1.00 0.00 O ATOM 1825 CB PRO A 123 -4.493 20.637 -1.706 1.00 0.00 C ATOM 1826 CG PRO A 123 -4.077 21.605 -2.761 1.00 0.00 C ATOM 1827 CD PRO A 123 -4.041 20.838 -4.055 1.00 0.00 C ATOM 0 HA PRO A 123 -5.397 18.640 -1.998 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -5.020 21.139 -0.894 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -3.630 20.137 -1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -4.779 22.437 -2.823 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -3.099 22.029 -2.534 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -4.433 21.431 -4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -3.023 20.553 -4.322 1.00 0.00 H new ATOM 1835 N GLY A 124 -7.676 19.241 -1.768 1.00 0.00 N ATOM 1836 CA GLY A 124 -9.051 19.551 -1.564 1.00 0.00 C ATOM 1837 C GLY A 124 -9.355 19.787 -0.111 1.00 0.00 C ATOM 1838 O GLY A 124 -8.526 20.339 0.627 1.00 0.00 O ATOM 0 H GLY A 124 -7.397 18.317 -1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.314 20.438 -2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.668 18.734 -1.937 1.00 0.00 H new ATOM 1842 N VAL A 125 -10.503 19.328 0.307 1.00 0.00 N ATOM 1843 CA VAL A 125 -10.987 19.529 1.656 1.00 0.00 C ATOM 1844 C VAL A 125 -10.273 18.633 2.657 1.00 0.00 C ATOM 1845 O VAL A 125 -10.241 17.402 2.499 1.00 0.00 O ATOM 1846 CB VAL A 125 -12.518 19.291 1.748 1.00 0.00 C ATOM 1847 CG1 VAL A 125 -13.026 19.492 3.166 1.00 0.00 C ATOM 1848 CG2 VAL A 125 -13.258 20.209 0.798 1.00 0.00 C ATOM 0 H VAL A 125 -11.141 18.796 -0.284 1.00 0.00 H new ATOM 0 HA VAL A 125 -10.772 20.567 1.909 1.00 0.00 H new ATOM 0 HB VAL A 125 -12.708 18.256 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.102 19.318 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -12.526 18.791 3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -12.815 20.512 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -14.330 20.027 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -13.046 21.247 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -12.932 20.015 -0.224 1.00 0.00 H new ATOM 1858 N ALA A 126 -9.663 19.257 3.641 1.00 0.00 N ATOM 1859 CA ALA A 126 -9.050 18.554 4.742 1.00 0.00 C ATOM 1860 C ALA A 126 -10.035 18.436 5.884 1.00 0.00 C ATOM 1861 O ALA A 126 -10.833 19.356 6.131 1.00 0.00 O ATOM 1862 CB ALA A 126 -7.802 19.282 5.217 1.00 0.00 C ATOM 0 H ALA A 126 -9.579 20.272 3.698 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.764 17.559 4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -7.356 18.735 6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.085 19.347 4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.070 20.286 5.546 1.00 0.00 H new ATOM 1868 N TRP A 127 -9.999 17.324 6.570 1.00 0.00 N ATOM 1869 CA TRP A 127 -10.855 17.108 7.726 1.00 0.00 C ATOM 1870 C TRP A 127 -10.031 17.208 8.999 1.00 0.00 C ATOM 1871 O TRP A 127 -10.468 16.829 10.094 1.00 0.00 O ATOM 1872 CB TRP A 127 -11.549 15.748 7.640 1.00 0.00 C ATOM 1873 CG TRP A 127 -12.389 15.605 6.419 1.00 0.00 C ATOM 1874 CD1 TRP A 127 -13.575 16.224 6.168 1.00 0.00 C ATOM 1875 CD2 TRP A 127 -12.115 14.785 5.282 1.00 0.00 C ATOM 1876 NE1 TRP A 127 -14.040 15.857 4.937 1.00 0.00 N ATOM 1877 CE2 TRP A 127 -13.168 14.972 4.374 1.00 0.00 C ATOM 1878 CE3 TRP A 127 -11.078 13.916 4.941 1.00 0.00 C ATOM 1879 CZ2 TRP A 127 -13.215 14.325 3.148 1.00 0.00 C ATOM 1880 CZ3 TRP A 127 -11.126 13.273 3.725 1.00 0.00 C ATOM 1881 CH2 TRP A 127 -12.189 13.482 2.843 1.00 0.00 C ATOM 0 H TRP A 127 -9.382 16.541 6.352 1.00 0.00 H new ATOM 0 HA TRP A 127 -11.627 17.878 7.741 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.796 14.960 7.652 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -12.172 15.607 8.523 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -14.074 16.904 6.842 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -14.902 16.192 4.507 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.253 13.751 5.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -14.034 14.483 2.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -10.330 12.597 3.449 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -12.198 12.963 1.896 1.00 0.00 H new ATOM 1892 N GLY A 128 -8.860 17.738 8.863 1.00 0.00 N ATOM 1893 CA GLY A 128 -8.004 17.871 9.972 1.00 0.00 C ATOM 1894 C GLY A 128 -6.928 18.855 9.712 1.00 0.00 C ATOM 1895 O GLY A 128 -6.807 19.378 8.599 1.00 0.00 O ATOM 0 H GLY A 128 -8.481 18.086 7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.581 18.183 10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.563 16.903 10.211 1.00 0.00 H new ATOM 1899 N VAL A 129 -6.132 19.067 10.699 1.00 0.00 N ATOM 1900 CA VAL A 129 -5.076 20.012 10.659 1.00 0.00 C ATOM 1901 C VAL A 129 -3.766 19.259 10.676 1.00 0.00 C ATOM 1902 O VAL A 129 -3.478 18.508 11.616 1.00 0.00 O ATOM 1903 CB VAL A 129 -5.135 20.957 11.891 1.00 0.00 C ATOM 1904 CG1 VAL A 129 -4.018 21.976 11.846 1.00 0.00 C ATOM 1905 CG2 VAL A 129 -6.489 21.650 11.989 1.00 0.00 C ATOM 0 H VAL A 129 -6.201 18.570 11.587 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.167 20.616 9.756 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.003 20.345 12.783 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -4.082 22.625 12.719 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.057 21.462 11.845 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -4.109 22.576 10.941 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -6.500 22.305 12.860 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.661 22.241 11.089 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -7.275 20.901 12.087 1.00 0.00 H new ATOM 1915 N PHE A 130 -3.000 19.426 9.645 1.00 0.00 N ATOM 1916 CA PHE A 130 -1.711 18.795 9.555 1.00 0.00 C ATOM 1917 C PHE A 130 -0.733 19.566 10.382 1.00 0.00 C ATOM 1918 O PHE A 130 -0.678 20.803 10.311 1.00 0.00 O ATOM 1919 CB PHE A 130 -1.221 18.742 8.114 1.00 0.00 C ATOM 1920 CG PHE A 130 -1.973 17.805 7.223 1.00 0.00 C ATOM 1921 CD1 PHE A 130 -3.246 18.113 6.773 1.00 0.00 C ATOM 1922 CD2 PHE A 130 -1.392 16.620 6.814 1.00 0.00 C ATOM 1923 CE1 PHE A 130 -3.919 17.255 5.937 1.00 0.00 C ATOM 1924 CE2 PHE A 130 -2.062 15.761 5.980 1.00 0.00 C ATOM 1925 CZ PHE A 130 -3.325 16.081 5.541 1.00 0.00 C ATOM 0 H PHE A 130 -3.245 20.002 8.840 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.799 17.773 9.922 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -1.276 19.745 7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -0.170 18.454 8.114 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.714 19.036 7.082 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -0.399 16.367 7.155 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -4.912 17.503 5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -1.599 14.836 5.669 1.00 0.00 H new ATOM 0 HZ PHE A 130 -3.852 15.407 4.882 1.00 0.00 H new ATOM 1935 N LYS A 131 0.011 18.870 11.162 1.00 0.00 N ATOM 1936 CA LYS A 131 0.970 19.470 11.993 1.00 0.00 C ATOM 1937 C LYS A 131 2.344 19.070 11.478 1.00 0.00 C ATOM 1938 O LYS A 131 2.905 18.051 11.925 1.00 0.00 O ATOM 1939 CB LYS A 131 0.747 19.055 13.454 1.00 0.00 C ATOM 1940 CG LYS A 131 1.620 19.796 14.445 1.00 0.00 C ATOM 1941 CD LYS A 131 1.292 21.276 14.428 1.00 0.00 C ATOM 1942 CE LYS A 131 2.202 22.065 15.328 1.00 0.00 C ATOM 1943 NZ LYS A 131 1.864 23.496 15.310 1.00 0.00 N ATOM 1944 OXT LYS A 131 2.838 19.754 10.557 1.00 0.00 O ATOM 0 H LYS A 131 -0.035 17.854 11.237 1.00 0.00 H new ATOM 0 HA LYS A 131 0.885 20.556 11.969 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -0.299 19.220 13.712 1.00 0.00 H new ATOM 0 HB3 LYS A 131 0.934 17.985 13.550 1.00 0.00 H new ATOM 0 HG2 LYS A 131 1.468 19.394 15.447 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.671 19.646 14.198 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.374 21.654 13.409 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.258 21.422 14.740 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.128 21.685 16.347 1.00 0.00 H new ATOM 0 HE3 LYS A 131 3.236 21.930 15.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.509 24.013 15.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.958 23.863 14.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 0.885 23.626 15.635 1.00 0.00 H new