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 40 ASN : amide:sc= -2.42! C(o=-0.48!,f=-8.8!) USER MOD Set 1.2: A 44 THR OG1 : rot -63:sc= 1.22 USER MOD Set 1.3: A 91 GLN : amide:sc= 0.727 K(o=-0.48,f=-4.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= 1.3 (180deg=1.03) USER MOD Single : A 50 ASN : amide:sc=-0.00832 X(o=-0.0083,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.415! C(o=-0.41!,f=-4.3!) USER MOD Single : A 57 ASN : amide:sc= -0.041 X(o=-0.041,f=-0.044) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.104 F(o=-1.9,f=-0.1) USER MOD Single : A 62 THR OG1 : rot -170:sc= -0.0442 USER MOD Single : A 66 SER OG : rot -95:sc= 0.0475 USER MOD Single : A 70 ASN : amide:sc= -0.0045 K(o=-0.0045,f=-1.4) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.297 F(o=-2.6!,f=-0.3) USER MOD Single : A 82 THR OG1 : rot 26:sc= 0.74 USER MOD Single : A 85 TYR OH : rot 30:sc= -0.24 USER MOD Single : A 89 CYS SG : rot -15:sc= -0.225 USER MOD Single : A 94 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.16) USER MOD Single : A 99 TYR OH : rot 130:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 1.03 K(o=1,f=-5.7!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0.323 K(o=0.32,f=-5.5!) USER MOD Single : A 105 ASN : amide:sc= -0.28 K(o=-0.28,f=-1.1) USER MOD Single : A 108 TYR OH : rot 46:sc= 1.25 USER MOD Single : A 109 CYS SG : rot -170:sc= -0.669 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.355 USER MOD Single : A 114 CYS SG : rot 9:sc= -2.79! USER MOD Single : A 115 GLN : amide:sc= -0.0746 X(o=-0.075,f=-0.073) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HE2:sc= 0.72 K(o=0.72,f=-2.5!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 504 N TRP A 37 8.684 9.142 -4.361 1.00 0.00 N ATOM 505 CA TRP A 37 7.493 8.367 -4.187 1.00 0.00 C ATOM 506 C TRP A 37 7.693 7.044 -4.906 1.00 0.00 C ATOM 507 O TRP A 37 8.191 7.024 -6.045 1.00 0.00 O ATOM 508 CB TRP A 37 6.276 9.087 -4.799 1.00 0.00 C ATOM 509 CG TRP A 37 5.964 10.426 -4.197 1.00 0.00 C ATOM 510 CD1 TRP A 37 6.499 11.633 -4.550 1.00 0.00 C ATOM 511 CD2 TRP A 37 5.021 10.697 -3.153 1.00 0.00 C ATOM 512 NE1 TRP A 37 5.959 12.631 -3.780 1.00 0.00 N ATOM 513 CE2 TRP A 37 5.050 12.085 -2.917 1.00 0.00 C ATOM 514 CE3 TRP A 37 4.160 9.903 -2.391 1.00 0.00 C ATOM 515 CZ2 TRP A 37 4.254 12.694 -1.955 1.00 0.00 C ATOM 516 CZ3 TRP A 37 3.369 10.509 -1.436 1.00 0.00 C ATOM 517 CH2 TRP A 37 3.420 11.893 -1.226 1.00 0.00 C ATOM 0 HA TRP A 37 7.307 8.219 -3.123 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.449 9.217 -5.867 1.00 0.00 H new ATOM 0 HB3 TRP A 37 5.402 8.445 -4.693 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.239 11.779 -5.323 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.197 13.621 -3.841 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.114 8.835 -2.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.293 13.761 -1.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.699 9.906 -0.841 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.787 12.337 -0.472 1.00 0.00 H new ATOM 528 N LYS A 38 7.361 5.970 -4.247 1.00 0.00 N ATOM 529 CA LYS A 38 7.432 4.640 -4.834 1.00 0.00 C ATOM 530 C LYS A 38 6.018 4.126 -4.939 1.00 0.00 C ATOM 531 O LYS A 38 5.157 4.566 -4.179 1.00 0.00 O ATOM 532 CB LYS A 38 8.248 3.640 -3.966 1.00 0.00 C ATOM 533 CG LYS A 38 9.765 3.857 -3.837 1.00 0.00 C ATOM 534 CD LYS A 38 10.138 5.116 -3.069 1.00 0.00 C ATOM 535 CE LYS A 38 11.639 5.192 -2.852 1.00 0.00 C ATOM 536 NZ LYS A 38 12.059 6.485 -2.272 1.00 0.00 N ATOM 0 H LYS A 38 7.030 5.981 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 38 7.932 4.716 -5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.824 3.649 -2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.088 2.641 -4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.206 2.994 -3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.202 3.907 -4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.801 5.995 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.626 5.125 -2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.949 4.382 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.149 5.041 -3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.091 6.489 -2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.788 7.258 -2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.594 6.620 -1.351 1.00 0.00 H new ATOM 550 N LYS A 39 5.758 3.219 -5.842 1.00 0.00 N ATOM 551 CA LYS A 39 4.424 2.684 -5.957 1.00 0.00 C ATOM 552 C LYS A 39 4.389 1.314 -5.326 1.00 0.00 C ATOM 553 O LYS A 39 5.287 0.491 -5.563 1.00 0.00 O ATOM 554 CB LYS A 39 3.966 2.594 -7.428 1.00 0.00 C ATOM 555 CG LYS A 39 2.469 2.301 -7.580 1.00 0.00 C ATOM 556 CD LYS A 39 2.023 2.204 -9.038 1.00 0.00 C ATOM 557 CE LYS A 39 1.786 0.757 -9.503 1.00 0.00 C ATOM 558 NZ LYS A 39 2.988 -0.086 -9.438 1.00 0.00 N ATOM 0 H LYS A 39 6.438 2.839 -6.500 1.00 0.00 H new ATOM 0 HA LYS A 39 3.739 3.358 -5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.199 3.532 -7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.535 1.812 -7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.234 1.366 -7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.899 3.086 -7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.105 2.776 -9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.779 2.664 -9.674 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.005 0.310 -8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.416 0.770 -10.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.757 -1.046 -9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.729 0.318 -10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.330 -0.128 -8.457 1.00 0.00 H new ATOM 572 N ASN A 40 3.408 1.070 -4.506 1.00 0.00 N ATOM 573 CA ASN A 40 3.236 -0.247 -3.935 1.00 0.00 C ATOM 574 C ASN A 40 2.411 -1.087 -4.904 1.00 0.00 C ATOM 575 O ASN A 40 1.977 -0.573 -5.956 1.00 0.00 O ATOM 576 CB ASN A 40 2.615 -0.214 -2.495 1.00 0.00 C ATOM 577 CG ASN A 40 1.202 0.367 -2.391 1.00 0.00 C ATOM 578 OD1 ASN A 40 0.421 0.317 -3.327 1.00 0.00 O ATOM 579 ND2 ASN A 40 0.862 0.901 -1.237 1.00 0.00 N ATOM 0 H ASN A 40 2.714 1.758 -4.215 1.00 0.00 H new ATOM 0 HA ASN A 40 4.216 -0.704 -3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.599 -1.231 -2.104 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.274 0.366 -1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.074 1.286 -1.109 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.534 0.930 -0.471 1.00 0.00 H new ATOM 586 N GLN A 41 2.176 -2.334 -4.579 1.00 0.00 N ATOM 587 CA GLN A 41 1.467 -3.230 -5.479 1.00 0.00 C ATOM 588 C GLN A 41 -0.019 -2.844 -5.590 1.00 0.00 C ATOM 589 O GLN A 41 -0.674 -3.107 -6.607 1.00 0.00 O ATOM 590 CB GLN A 41 1.644 -4.679 -5.024 1.00 0.00 C ATOM 591 CG GLN A 41 1.116 -5.708 -6.003 1.00 0.00 C ATOM 592 CD GLN A 41 1.345 -7.117 -5.526 1.00 0.00 C ATOM 593 OE1 GLN A 41 2.375 -7.724 -5.816 1.00 0.00 O ATOM 594 NE2 GLN A 41 0.403 -7.649 -4.802 1.00 0.00 N ATOM 0 H GLN A 41 2.463 -2.759 -3.697 1.00 0.00 H new ATOM 0 HA GLN A 41 1.895 -3.134 -6.477 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.704 -4.867 -4.853 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.139 -4.812 -4.067 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.049 -5.547 -6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.601 -5.570 -6.969 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.437 -7.113 -4.583 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.504 -8.602 -4.453 1.00 0.00 H new ATOM 603 N TYR A 42 -0.518 -2.150 -4.576 1.00 0.00 N ATOM 604 CA TYR A 42 -1.906 -1.697 -4.550 1.00 0.00 C ATOM 605 C TYR A 42 -2.117 -0.514 -5.490 1.00 0.00 C ATOM 606 O TYR A 42 -3.247 -0.151 -5.801 1.00 0.00 O ATOM 607 CB TYR A 42 -2.341 -1.309 -3.128 1.00 0.00 C ATOM 608 CG TYR A 42 -2.281 -2.439 -2.126 1.00 0.00 C ATOM 609 CD1 TYR A 42 -2.821 -3.684 -2.418 1.00 0.00 C ATOM 610 CD2 TYR A 42 -1.696 -2.256 -0.884 1.00 0.00 C ATOM 611 CE1 TYR A 42 -2.774 -4.710 -1.507 1.00 0.00 C ATOM 612 CE2 TYR A 42 -1.644 -3.284 0.036 1.00 0.00 C ATOM 613 CZ TYR A 42 -2.185 -4.509 -0.283 1.00 0.00 C ATOM 614 OH TYR A 42 -2.132 -5.544 0.633 1.00 0.00 O ATOM 0 H TYR A 42 0.022 -1.885 -3.752 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.521 -2.531 -4.889 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.707 -0.494 -2.777 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.361 -0.926 -3.165 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.286 -3.848 -3.379 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.274 -1.294 -0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.199 -5.672 -1.752 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.182 -3.128 1.000 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.682 -5.237 1.448 1.00 0.00 H new ATOM 624 N GLY A 43 -1.032 0.085 -5.937 1.00 0.00 N ATOM 625 CA GLY A 43 -1.129 1.190 -6.860 1.00 0.00 C ATOM 626 C GLY A 43 -1.037 2.515 -6.157 1.00 0.00 C ATOM 627 O GLY A 43 -1.241 3.578 -6.765 1.00 0.00 O ATOM 0 H GLY A 43 -0.081 -0.175 -5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.333 1.116 -7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.074 1.130 -7.400 1.00 0.00 H new ATOM 631 N THR A 44 -0.746 2.456 -4.890 1.00 0.00 N ATOM 632 CA THR A 44 -0.613 3.616 -4.075 1.00 0.00 C ATOM 633 C THR A 44 0.842 4.110 -4.146 1.00 0.00 C ATOM 634 O THR A 44 1.782 3.297 -4.134 1.00 0.00 O ATOM 635 CB THR A 44 -0.936 3.237 -2.624 1.00 0.00 C ATOM 636 OG1 THR A 44 -2.107 2.405 -2.593 1.00 0.00 O ATOM 637 CG2 THR A 44 -1.185 4.472 -1.790 1.00 0.00 C ATOM 0 H THR A 44 -0.593 1.580 -4.390 1.00 0.00 H new ATOM 0 HA THR A 44 -1.290 4.397 -4.420 1.00 0.00 H new ATOM 0 HB THR A 44 -0.083 2.699 -2.211 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.875 2.908 -2.937 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.412 4.179 -0.765 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.296 5.102 -1.799 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.027 5.027 -2.204 1.00 0.00 H new ATOM 645 N TRP A 45 1.024 5.403 -4.255 1.00 0.00 N ATOM 646 CA TRP A 45 2.350 5.989 -4.264 1.00 0.00 C ATOM 647 C TRP A 45 2.677 6.455 -2.864 1.00 0.00 C ATOM 648 O TRP A 45 1.951 7.245 -2.301 1.00 0.00 O ATOM 649 CB TRP A 45 2.432 7.150 -5.257 1.00 0.00 C ATOM 650 CG TRP A 45 2.316 6.732 -6.696 1.00 0.00 C ATOM 651 CD1 TRP A 45 1.171 6.588 -7.430 1.00 0.00 C ATOM 652 CD2 TRP A 45 3.399 6.417 -7.584 1.00 0.00 C ATOM 653 NE1 TRP A 45 1.483 6.204 -8.711 1.00 0.00 N ATOM 654 CE2 TRP A 45 2.838 6.091 -8.830 1.00 0.00 C ATOM 655 CE3 TRP A 45 4.789 6.379 -7.442 1.00 0.00 C ATOM 656 CZ2 TRP A 45 3.615 5.731 -9.929 1.00 0.00 C ATOM 657 CZ3 TRP A 45 5.560 6.022 -8.531 1.00 0.00 C ATOM 658 CH2 TRP A 45 4.970 5.704 -9.760 1.00 0.00 C ATOM 0 H TRP A 45 0.265 6.079 -4.340 1.00 0.00 H new ATOM 0 HA TRP A 45 3.077 5.242 -4.583 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.640 7.864 -5.032 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.380 7.670 -5.115 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.171 6.752 -7.058 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.808 6.031 -9.456 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.252 6.624 -6.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.163 5.483 -10.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.635 5.988 -8.433 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.601 5.431 -10.593 1.00 0.00 H new ATOM 669 N TYR A 46 3.740 5.966 -2.309 1.00 0.00 N ATOM 670 CA TYR A 46 4.077 6.258 -0.929 1.00 0.00 C ATOM 671 C TYR A 46 5.463 6.870 -0.799 1.00 0.00 C ATOM 672 O TYR A 46 6.349 6.632 -1.643 1.00 0.00 O ATOM 673 CB TYR A 46 3.993 4.967 -0.069 1.00 0.00 C ATOM 674 CG TYR A 46 4.954 3.864 -0.508 1.00 0.00 C ATOM 675 CD1 TYR A 46 4.583 2.938 -1.469 1.00 0.00 C ATOM 676 CD2 TYR A 46 6.239 3.778 0.020 1.00 0.00 C ATOM 677 CE1 TYR A 46 5.458 1.960 -1.889 1.00 0.00 C ATOM 678 CE2 TYR A 46 7.120 2.809 -0.402 1.00 0.00 C ATOM 679 CZ TYR A 46 6.723 1.902 -1.357 1.00 0.00 C ATOM 680 OH TYR A 46 7.604 0.941 -1.798 1.00 0.00 O ATOM 0 H TYR A 46 4.403 5.355 -2.786 1.00 0.00 H new ATOM 0 HA TYR A 46 3.353 6.988 -0.567 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.199 5.221 0.971 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.974 4.583 -0.107 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.592 2.983 -1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.550 4.485 0.775 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.150 1.241 -2.634 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.116 2.761 0.013 1.00 0.00 H new ATOM 0 HH TYR A 46 8.456 1.036 -1.323 1.00 0.00 H new ATOM 690 N LYS A 47 5.634 7.657 0.238 1.00 0.00 N ATOM 691 CA LYS A 47 6.915 8.176 0.617 1.00 0.00 C ATOM 692 C LYS A 47 6.986 8.153 2.148 1.00 0.00 C ATOM 693 O LYS A 47 5.942 8.280 2.829 1.00 0.00 O ATOM 694 CB LYS A 47 7.160 9.631 0.125 1.00 0.00 C ATOM 695 CG LYS A 47 6.332 10.697 0.851 1.00 0.00 C ATOM 696 CD LYS A 47 6.827 12.125 0.581 1.00 0.00 C ATOM 697 CE LYS A 47 8.286 12.317 1.010 1.00 0.00 C ATOM 698 NZ LYS A 47 8.705 13.733 0.960 1.00 0.00 N ATOM 0 H LYS A 47 4.872 7.955 0.847 1.00 0.00 H new ATOM 0 HA LYS A 47 7.682 7.556 0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.217 9.868 0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.940 9.682 -0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.290 10.614 0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.361 10.504 1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.729 12.348 -0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.195 12.835 1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.417 11.938 2.023 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.933 11.726 0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.743 13.787 0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.304 14.184 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.364 14.226 1.810 1.00 0.00 H new ATOM 712 N PRO A 48 8.155 7.938 2.724 1.00 0.00 N ATOM 713 CA PRO A 48 8.324 8.052 4.155 1.00 0.00 C ATOM 714 C PRO A 48 8.394 9.533 4.538 1.00 0.00 C ATOM 715 O PRO A 48 9.237 10.274 4.020 1.00 0.00 O ATOM 716 CB PRO A 48 9.672 7.362 4.426 1.00 0.00 C ATOM 717 CG PRO A 48 10.104 6.772 3.122 1.00 0.00 C ATOM 718 CD PRO A 48 9.401 7.549 2.059 1.00 0.00 C ATOM 0 HA PRO A 48 7.509 7.607 4.726 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.409 8.076 4.794 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.568 6.590 5.188 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.185 6.840 3.003 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.844 5.715 3.068 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.979 8.416 1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.216 6.946 1.170 1.00 0.00 H new ATOM 726 N GLU A 49 7.505 9.967 5.398 1.00 0.00 N ATOM 727 CA GLU A 49 7.459 11.350 5.828 1.00 0.00 C ATOM 728 C GLU A 49 6.839 11.363 7.209 1.00 0.00 C ATOM 729 O GLU A 49 5.751 10.814 7.400 1.00 0.00 O ATOM 730 CB GLU A 49 6.595 12.173 4.862 1.00 0.00 C ATOM 731 CG GLU A 49 6.717 13.682 5.018 1.00 0.00 C ATOM 732 CD GLU A 49 8.028 14.218 4.482 1.00 0.00 C ATOM 733 OE1 GLU A 49 9.075 14.092 5.160 1.00 0.00 O ATOM 734 OE2 GLU A 49 8.038 14.756 3.343 1.00 0.00 O ATOM 0 H GLU A 49 6.791 9.374 5.822 1.00 0.00 H new ATOM 0 HA GLU A 49 8.458 11.785 5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.863 11.905 3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.551 11.891 5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.891 14.166 4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.626 13.943 6.072 1.00 0.00 H new ATOM 741 N ASN A 50 7.513 11.952 8.159 1.00 0.00 N ATOM 742 CA ASN A 50 7.046 11.932 9.530 1.00 0.00 C ATOM 743 C ASN A 50 6.567 13.305 9.964 1.00 0.00 C ATOM 744 O ASN A 50 7.365 14.217 10.194 1.00 0.00 O ATOM 745 CB ASN A 50 8.149 11.421 10.467 1.00 0.00 C ATOM 746 CG ASN A 50 7.700 11.312 11.914 1.00 0.00 C ATOM 747 OD1 ASN A 50 7.181 10.279 12.336 1.00 0.00 O ATOM 748 ND2 ASN A 50 7.918 12.347 12.687 1.00 0.00 N ATOM 0 H ASN A 50 8.389 12.454 8.015 1.00 0.00 H new ATOM 0 HA ASN A 50 6.199 11.248 9.588 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.485 10.443 10.123 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.006 12.092 10.409 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.655 12.312 13.672 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.350 13.188 12.304 1.00 0.00 H new ATOM 755 N ALA A 51 5.279 13.446 10.091 1.00 0.00 N ATOM 756 CA ALA A 51 4.678 14.705 10.477 1.00 0.00 C ATOM 757 C ALA A 51 3.481 14.439 11.369 1.00 0.00 C ATOM 758 O ALA A 51 3.059 13.285 11.515 1.00 0.00 O ATOM 759 CB ALA A 51 4.277 15.508 9.246 1.00 0.00 C ATOM 0 H ALA A 51 4.609 12.694 9.931 1.00 0.00 H new ATOM 0 HA ALA A 51 5.406 15.297 11.032 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.827 16.451 9.557 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.160 15.710 8.640 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.556 14.939 8.659 1.00 0.00 H new ATOM 765 N THR A 52 2.927 15.466 11.945 1.00 0.00 N ATOM 766 CA THR A 52 1.839 15.307 12.859 1.00 0.00 C ATOM 767 C THR A 52 0.511 15.711 12.176 1.00 0.00 C ATOM 768 O THR A 52 0.492 16.557 11.284 1.00 0.00 O ATOM 769 CB THR A 52 2.087 16.199 14.095 1.00 0.00 C ATOM 770 OG1 THR A 52 3.456 16.063 14.508 1.00 0.00 O ATOM 771 CG2 THR A 52 1.193 15.790 15.252 1.00 0.00 C ATOM 0 H THR A 52 3.217 16.432 11.794 1.00 0.00 H new ATOM 0 HA THR A 52 1.770 14.264 13.167 1.00 0.00 H new ATOM 0 HB THR A 52 1.864 17.230 13.822 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.619 16.629 15.291 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.389 16.435 16.109 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.148 15.887 14.956 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.399 14.754 15.523 1.00 0.00 H new ATOM 779 N PHE A 53 -0.555 15.068 12.553 1.00 0.00 N ATOM 780 CA PHE A 53 -1.874 15.399 12.080 1.00 0.00 C ATOM 781 C PHE A 53 -2.774 15.600 13.280 1.00 0.00 C ATOM 782 O PHE A 53 -2.663 14.876 14.268 1.00 0.00 O ATOM 783 CB PHE A 53 -2.428 14.278 11.174 1.00 0.00 C ATOM 784 CG PHE A 53 -3.855 14.486 10.726 1.00 0.00 C ATOM 785 CD1 PHE A 53 -4.161 15.412 9.746 1.00 0.00 C ATOM 786 CD2 PHE A 53 -4.889 13.750 11.292 1.00 0.00 C ATOM 787 CE1 PHE A 53 -5.465 15.606 9.339 1.00 0.00 C ATOM 788 CE2 PHE A 53 -6.193 13.939 10.888 1.00 0.00 C ATOM 789 CZ PHE A 53 -6.483 14.867 9.911 1.00 0.00 C ATOM 0 H PHE A 53 -0.536 14.286 13.208 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.833 16.312 11.487 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.792 14.192 10.293 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.362 13.330 11.708 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.369 15.991 9.293 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.668 13.021 12.058 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.690 16.335 8.574 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.987 13.360 11.337 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.504 15.016 9.593 1.00 0.00 H new ATOM 799 N VAL A 54 -3.599 16.596 13.227 1.00 0.00 N ATOM 800 CA VAL A 54 -4.569 16.852 14.263 1.00 0.00 C ATOM 801 C VAL A 54 -5.940 16.757 13.633 1.00 0.00 C ATOM 802 O VAL A 54 -6.246 17.518 12.717 1.00 0.00 O ATOM 803 CB VAL A 54 -4.401 18.272 14.888 1.00 0.00 C ATOM 804 CG1 VAL A 54 -5.388 18.488 16.031 1.00 0.00 C ATOM 805 CG2 VAL A 54 -2.977 18.499 15.368 1.00 0.00 C ATOM 0 H VAL A 54 -3.625 17.266 12.459 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.431 16.124 15.062 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.616 19.000 14.106 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.249 19.485 16.448 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.407 18.391 15.655 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.215 17.743 16.807 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.893 19.497 15.798 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.725 17.756 16.124 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.290 18.407 14.526 1.00 0.00 H new ATOM 815 N ASN A 55 -6.738 15.817 14.069 1.00 0.00 N ATOM 816 CA ASN A 55 -8.078 15.672 13.523 1.00 0.00 C ATOM 817 C ASN A 55 -8.947 16.836 13.988 1.00 0.00 C ATOM 818 O ASN A 55 -8.743 17.362 15.094 1.00 0.00 O ATOM 819 CB ASN A 55 -8.701 14.315 13.905 1.00 0.00 C ATOM 820 CG ASN A 55 -10.086 14.123 13.305 1.00 0.00 C ATOM 821 OD1 ASN A 55 -10.400 14.658 12.252 1.00 0.00 O ATOM 822 ND2 ASN A 55 -10.904 13.349 13.941 1.00 0.00 N ATOM 0 H ASN A 55 -6.494 15.142 14.794 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.016 15.693 12.435 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.047 13.510 13.568 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.765 14.240 14.991 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.836 13.173 13.565 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.617 12.915 14.818 1.00 0.00 H new ATOM 829 N GLY A 56 -9.892 17.230 13.162 1.00 0.00 N ATOM 830 CA GLY A 56 -10.693 18.389 13.429 1.00 0.00 C ATOM 831 C GLY A 56 -11.873 18.136 14.348 1.00 0.00 C ATOM 832 O GLY A 56 -11.748 17.473 15.384 1.00 0.00 O ATOM 0 H GLY A 56 -10.121 16.752 12.290 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.061 19.158 13.872 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.063 18.786 12.484 1.00 0.00 H new ATOM 836 N ASN A 57 -13.018 18.627 13.949 1.00 0.00 N ATOM 837 CA ASN A 57 -14.215 18.627 14.790 1.00 0.00 C ATOM 838 C ASN A 57 -15.082 17.386 14.608 1.00 0.00 C ATOM 839 O ASN A 57 -16.092 17.228 15.301 1.00 0.00 O ATOM 840 CB ASN A 57 -15.063 19.888 14.534 1.00 0.00 C ATOM 841 CG ASN A 57 -15.642 19.963 13.123 1.00 0.00 C ATOM 842 OD1 ASN A 57 -15.013 20.501 12.199 1.00 0.00 O ATOM 843 ND2 ASN A 57 -16.835 19.462 12.944 1.00 0.00 N ATOM 0 H ASN A 57 -13.160 19.043 13.029 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.855 18.622 15.819 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.880 19.918 15.255 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.449 20.771 14.712 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -17.274 19.507 12.025 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -17.327 19.026 13.724 1.00 0.00 H new ATOM 850 N GLN A 58 -14.729 16.525 13.691 1.00 0.00 N ATOM 851 CA GLN A 58 -15.514 15.328 13.482 1.00 0.00 C ATOM 852 C GLN A 58 -14.649 14.074 13.417 1.00 0.00 C ATOM 853 O GLN A 58 -13.463 14.162 13.125 1.00 0.00 O ATOM 854 CB GLN A 58 -16.505 15.475 12.283 1.00 0.00 C ATOM 855 CG GLN A 58 -15.930 15.934 10.928 1.00 0.00 C ATOM 856 CD GLN A 58 -15.048 14.916 10.220 1.00 0.00 C ATOM 857 OE1 GLN A 58 -13.772 14.999 10.415 1.00 0.00 O flip ATOM 858 NE2 GLN A 58 -15.536 14.085 9.454 1.00 0.00 N flip ATOM 0 H GLN A 58 -13.916 16.623 13.083 1.00 0.00 H new ATOM 0 HA GLN A 58 -16.143 15.197 14.362 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.992 14.512 12.131 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.281 16.183 12.575 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -16.759 16.194 10.269 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.352 16.844 11.087 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -16.547 14.045 9.322 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -14.930 13.437 8.952 1.00 0.00 H new ATOM 867 N PRO A 59 -15.196 12.903 13.772 1.00 0.00 N ATOM 868 CA PRO A 59 -14.468 11.654 13.677 1.00 0.00 C ATOM 869 C PRO A 59 -14.357 11.191 12.223 1.00 0.00 C ATOM 870 O PRO A 59 -15.346 11.239 11.458 1.00 0.00 O ATOM 871 CB PRO A 59 -15.309 10.664 14.502 1.00 0.00 C ATOM 872 CG PRO A 59 -16.348 11.489 15.183 1.00 0.00 C ATOM 873 CD PRO A 59 -16.541 12.694 14.322 1.00 0.00 C ATOM 0 HA PRO A 59 -13.445 11.742 14.042 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.766 9.909 13.862 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.691 10.135 15.228 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -17.279 10.933 15.292 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.027 11.772 16.185 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -17.278 12.520 13.538 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.884 13.554 14.897 1.00 0.00 H new ATOM 881 N ILE A 60 -13.189 10.735 11.853 1.00 0.00 N ATOM 882 CA ILE A 60 -12.927 10.313 10.491 1.00 0.00 C ATOM 883 C ILE A 60 -12.820 8.801 10.454 1.00 0.00 C ATOM 884 O ILE A 60 -12.161 8.207 11.299 1.00 0.00 O ATOM 885 CB ILE A 60 -11.586 10.916 9.943 1.00 0.00 C ATOM 886 CG1 ILE A 60 -11.606 12.446 9.991 1.00 0.00 C ATOM 887 CG2 ILE A 60 -11.317 10.446 8.512 1.00 0.00 C ATOM 888 CD1 ILE A 60 -10.328 13.097 9.481 1.00 0.00 C ATOM 0 H ILE A 60 -12.391 10.644 12.481 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.748 10.668 9.867 1.00 0.00 H new ATOM 0 HB ILE A 60 -10.783 10.558 10.587 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.447 12.807 9.399 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.779 12.765 11.019 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.382 10.879 8.157 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.244 9.359 8.494 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.134 10.766 7.865 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.420 14.181 9.547 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.485 12.767 10.087 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -10.163 12.810 8.443 1.00 0.00 H new ATOM 900 N VAL A 61 -13.473 8.187 9.506 1.00 0.00 N ATOM 901 CA VAL A 61 -13.383 6.758 9.351 1.00 0.00 C ATOM 902 C VAL A 61 -12.098 6.430 8.569 1.00 0.00 C ATOM 903 O VAL A 61 -11.744 7.122 7.612 1.00 0.00 O ATOM 904 CB VAL A 61 -14.658 6.169 8.674 1.00 0.00 C ATOM 905 CG1 VAL A 61 -14.868 6.709 7.274 1.00 0.00 C ATOM 906 CG2 VAL A 61 -14.640 4.652 8.688 1.00 0.00 C ATOM 0 H VAL A 61 -14.075 8.653 8.827 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.329 6.286 10.332 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.511 6.497 9.267 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -15.768 6.269 6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.978 7.793 7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -14.009 6.455 6.653 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.543 4.273 8.209 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -13.764 4.294 8.147 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -14.600 4.298 9.718 1.00 0.00 H new ATOM 916 N THR A 62 -11.397 5.421 8.997 1.00 0.00 N ATOM 917 CA THR A 62 -10.099 5.101 8.447 1.00 0.00 C ATOM 918 C THR A 62 -10.096 3.720 7.773 1.00 0.00 C ATOM 919 O THR A 62 -11.142 3.040 7.716 1.00 0.00 O ATOM 920 CB THR A 62 -9.024 5.156 9.559 1.00 0.00 C ATOM 921 OG1 THR A 62 -9.391 4.278 10.627 1.00 0.00 O ATOM 922 CG2 THR A 62 -8.875 6.567 10.114 1.00 0.00 C ATOM 0 H THR A 62 -11.704 4.792 9.739 1.00 0.00 H new ATOM 0 HA THR A 62 -9.866 5.843 7.683 1.00 0.00 H new ATOM 0 HB THR A 62 -8.074 4.848 9.122 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.799 4.430 11.393 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.113 6.573 10.893 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.580 7.244 9.312 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.826 6.895 10.534 1.00 0.00 H new ATOM 930 N ARG A 63 -8.957 3.338 7.218 1.00 0.00 N ATOM 931 CA ARG A 63 -8.785 2.041 6.585 1.00 0.00 C ATOM 932 C ARG A 63 -7.657 1.298 7.249 1.00 0.00 C ATOM 933 O ARG A 63 -6.661 1.902 7.647 1.00 0.00 O ATOM 934 CB ARG A 63 -8.485 2.184 5.096 1.00 0.00 C ATOM 935 CG ARG A 63 -9.571 2.875 4.313 1.00 0.00 C ATOM 936 CD ARG A 63 -10.892 2.180 4.471 1.00 0.00 C ATOM 937 NE ARG A 63 -11.931 2.842 3.711 1.00 0.00 N ATOM 938 CZ ARG A 63 -12.998 3.416 4.244 1.00 0.00 C ATOM 939 NH1 ARG A 63 -13.107 3.558 5.570 1.00 0.00 N ATOM 940 NH2 ARG A 63 -13.942 3.880 3.455 1.00 0.00 N ATOM 0 H ARG A 63 -8.121 3.923 7.194 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.717 1.487 6.697 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.555 2.740 4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.321 1.193 4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.660 3.909 4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.298 2.904 3.258 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.802 1.145 4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.169 2.157 5.525 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.834 2.868 2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.363 3.222 6.182 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.934 4.002 5.969 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.848 3.796 2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.768 4.324 3.855 1.00 0.00 H new ATOM 954 N ILE A 64 -7.797 0.012 7.358 1.00 0.00 N ATOM 955 CA ILE A 64 -6.805 -0.792 8.020 1.00 0.00 C ATOM 956 C ILE A 64 -5.989 -1.602 7.002 1.00 0.00 C ATOM 957 O ILE A 64 -6.552 -2.269 6.136 1.00 0.00 O ATOM 958 CB ILE A 64 -7.469 -1.761 9.039 1.00 0.00 C ATOM 959 CG1 ILE A 64 -8.347 -0.975 10.031 1.00 0.00 C ATOM 960 CG2 ILE A 64 -6.403 -2.556 9.790 1.00 0.00 C ATOM 961 CD1 ILE A 64 -9.100 -1.842 11.023 1.00 0.00 C ATOM 0 H ILE A 64 -8.594 -0.510 6.995 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.137 -0.117 8.554 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.102 -2.460 8.491 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.716 -0.277 10.582 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.066 -0.379 9.468 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.884 -3.230 10.499 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.815 -3.137 9.080 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.749 -1.870 10.328 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.693 -1.209 11.683 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.760 -2.522 10.484 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.389 -2.419 11.615 1.00 0.00 H new ATOM 973 N GLY A 65 -4.676 -1.460 7.073 1.00 0.00 N ATOM 974 CA GLY A 65 -3.737 -2.280 6.313 1.00 0.00 C ATOM 975 C GLY A 65 -3.600 -1.961 4.826 1.00 0.00 C ATOM 976 O GLY A 65 -2.583 -2.297 4.212 1.00 0.00 O ATOM 0 H GLY A 65 -4.223 -0.765 7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.753 -2.187 6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.038 -3.323 6.412 1.00 0.00 H new ATOM 980 N SER A 66 -4.577 -1.344 4.230 1.00 0.00 N ATOM 981 CA SER A 66 -4.503 -1.012 2.823 1.00 0.00 C ATOM 982 C SER A 66 -5.213 0.310 2.553 1.00 0.00 C ATOM 983 O SER A 66 -6.293 0.547 3.097 1.00 0.00 O ATOM 984 CB SER A 66 -5.143 -2.134 1.989 1.00 0.00 C ATOM 985 OG SER A 66 -4.516 -3.389 2.249 1.00 0.00 O ATOM 0 H SER A 66 -5.440 -1.056 4.691 1.00 0.00 H new ATOM 0 HA SER A 66 -3.456 -0.909 2.540 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.206 -2.201 2.219 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.060 -1.895 0.929 1.00 0.00 H new ATOM 0 HG SER A 66 -3.816 -3.549 1.582 1.00 0.00 H new ATOM 991 N PRO A 67 -4.602 1.216 1.780 1.00 0.00 N ATOM 992 CA PRO A 67 -5.252 2.441 1.390 1.00 0.00 C ATOM 993 C PRO A 67 -6.027 2.277 0.064 1.00 0.00 C ATOM 994 O PRO A 67 -5.455 1.960 -0.970 1.00 0.00 O ATOM 995 CB PRO A 67 -4.084 3.421 1.227 1.00 0.00 C ATOM 996 CG PRO A 67 -2.875 2.573 0.931 1.00 0.00 C ATOM 997 CD PRO A 67 -3.225 1.136 1.255 1.00 0.00 C ATOM 0 HA PRO A 67 -5.995 2.773 2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.275 4.126 0.418 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.937 4.009 2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.588 2.669 -0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.023 2.902 1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.171 0.502 0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.541 0.714 1.991 1.00 0.00 H new ATOM 1005 N PHE A 68 -7.319 2.516 0.135 1.00 0.00 N ATOM 1006 CA PHE A 68 -8.278 2.464 -0.974 1.00 0.00 C ATOM 1007 C PHE A 68 -9.525 3.095 -0.434 1.00 0.00 C ATOM 1008 O PHE A 68 -9.586 3.383 0.766 1.00 0.00 O ATOM 1009 CB PHE A 68 -8.689 1.023 -1.426 1.00 0.00 C ATOM 1010 CG PHE A 68 -7.627 0.121 -1.966 1.00 0.00 C ATOM 1011 CD1 PHE A 68 -7.145 0.295 -3.250 1.00 0.00 C ATOM 1012 CD2 PHE A 68 -7.138 -0.930 -1.204 1.00 0.00 C ATOM 1013 CE1 PHE A 68 -6.195 -0.556 -3.766 1.00 0.00 C ATOM 1014 CE2 PHE A 68 -6.185 -1.779 -1.712 1.00 0.00 C ATOM 1015 CZ PHE A 68 -5.715 -1.593 -2.994 1.00 0.00 C ATOM 0 H PHE A 68 -7.766 2.768 1.017 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.818 2.947 -1.836 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.146 0.524 -0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.461 1.121 -2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.518 1.108 -3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.510 -1.082 -0.202 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.827 -0.413 -4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.805 -2.590 -1.108 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.968 -2.262 -3.396 1.00 0.00 H new ATOM 1025 N LEU A 69 -10.523 3.258 -1.257 1.00 0.00 N ATOM 1026 CA LEU A 69 -11.781 3.792 -0.794 1.00 0.00 C ATOM 1027 C LEU A 69 -12.569 2.660 -0.165 1.00 0.00 C ATOM 1028 O LEU A 69 -13.067 2.772 0.947 1.00 0.00 O ATOM 1029 CB LEU A 69 -12.604 4.444 -1.936 1.00 0.00 C ATOM 1030 CG LEU A 69 -12.032 5.711 -2.619 1.00 0.00 C ATOM 1031 CD1 LEU A 69 -11.685 6.772 -1.596 1.00 0.00 C ATOM 1032 CD2 LEU A 69 -10.844 5.400 -3.531 1.00 0.00 C ATOM 0 H LEU A 69 -10.494 3.030 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.579 4.580 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.758 3.690 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.586 4.696 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.818 6.107 -3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.286 7.650 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.581 7.050 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.938 6.381 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.482 6.323 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.045 4.945 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.157 4.710 -4.314 1.00 0.00 H new ATOM 1044 N ASN A 70 -12.583 1.541 -0.853 1.00 0.00 N ATOM 1045 CA ASN A 70 -13.309 0.341 -0.426 1.00 0.00 C ATOM 1046 C ASN A 70 -12.397 -0.607 0.357 1.00 0.00 C ATOM 1047 O ASN A 70 -12.625 -1.821 0.406 1.00 0.00 O ATOM 1048 CB ASN A 70 -13.915 -0.397 -1.642 1.00 0.00 C ATOM 1049 CG ASN A 70 -15.055 0.356 -2.335 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -15.096 1.590 -2.361 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -15.977 -0.377 -2.901 1.00 0.00 N ATOM 0 H ASN A 70 -12.088 1.425 -1.737 1.00 0.00 H new ATOM 0 HA ASN A 70 -14.118 0.663 0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.125 -0.584 -2.369 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -14.284 -1.369 -1.315 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.759 0.068 -3.382 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.915 -1.394 -2.862 1.00 0.00 H new ATOM 1058 N ALA A 71 -11.375 -0.048 0.971 1.00 0.00 N ATOM 1059 CA ALA A 71 -10.420 -0.809 1.780 1.00 0.00 C ATOM 1060 C ALA A 71 -11.070 -1.250 3.111 1.00 0.00 C ATOM 1061 O ALA A 71 -12.121 -0.706 3.485 1.00 0.00 O ATOM 1062 CB ALA A 71 -9.196 0.046 2.054 1.00 0.00 C ATOM 0 H ALA A 71 -11.174 0.951 0.928 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.122 -1.703 1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.485 -0.519 2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.730 0.327 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.494 0.945 2.593 1.00 0.00 H new ATOM 1068 N PRO A 72 -10.470 -2.252 3.826 1.00 0.00 N ATOM 1069 CA PRO A 72 -10.983 -2.753 5.117 1.00 0.00 C ATOM 1070 C PRO A 72 -11.312 -1.651 6.132 1.00 0.00 C ATOM 1071 O PRO A 72 -10.455 -0.819 6.489 1.00 0.00 O ATOM 1072 CB PRO A 72 -9.841 -3.622 5.639 1.00 0.00 C ATOM 1073 CG PRO A 72 -9.194 -4.136 4.410 1.00 0.00 C ATOM 1074 CD PRO A 72 -9.253 -3.009 3.419 1.00 0.00 C ATOM 0 HA PRO A 72 -11.928 -3.277 4.978 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.144 -3.044 6.245 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.211 -4.434 6.265 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.163 -4.433 4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.714 -5.017 4.033 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.359 -2.387 3.465 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.333 -3.377 2.396 1.00 0.00 H new ATOM 1082 N VAL A 73 -12.545 -1.663 6.577 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.061 -0.721 7.550 1.00 0.00 C ATOM 1084 C VAL A 73 -13.029 -1.336 8.947 1.00 0.00 C ATOM 1085 O VAL A 73 -12.698 -2.521 9.105 1.00 0.00 O ATOM 1086 CB VAL A 73 -14.501 -0.233 7.205 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -14.499 0.569 5.924 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -15.467 -1.398 7.080 1.00 0.00 C ATOM 0 H VAL A 73 -13.238 -2.344 6.267 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.413 0.155 7.523 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.835 0.403 8.025 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -15.513 0.900 5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.851 1.438 6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.132 -0.052 5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -16.461 -1.022 6.839 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -15.130 -2.067 6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.504 -1.943 8.023 1.00 0.00 H new ATOM 1098 N GLY A 74 -13.361 -0.553 9.936 1.00 0.00 N ATOM 1099 CA GLY A 74 -13.322 -1.012 11.302 1.00 0.00 C ATOM 1100 C GLY A 74 -12.366 -0.198 12.126 1.00 0.00 C ATOM 1101 O GLY A 74 -11.774 -0.688 13.096 1.00 0.00 O ATOM 0 H GLY A 74 -13.664 0.414 9.823 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.320 -0.953 11.736 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.025 -2.060 11.327 1.00 0.00 H new ATOM 1105 N GLY A 75 -12.199 1.039 11.739 1.00 0.00 N ATOM 1106 CA GLY A 75 -11.322 1.927 12.432 1.00 0.00 C ATOM 1107 C GLY A 75 -11.802 3.338 12.290 1.00 0.00 C ATOM 1108 O GLY A 75 -12.038 3.807 11.166 1.00 0.00 O ATOM 0 H GLY A 75 -12.670 1.453 10.934 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.275 1.655 13.486 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.311 1.837 12.034 1.00 0.00 H new ATOM 1112 N ASN A 76 -11.968 4.012 13.383 1.00 0.00 N ATOM 1113 CA ASN A 76 -12.436 5.380 13.367 1.00 0.00 C ATOM 1114 C ASN A 76 -11.482 6.247 14.166 1.00 0.00 C ATOM 1115 O ASN A 76 -11.017 5.843 15.232 1.00 0.00 O ATOM 1116 CB ASN A 76 -13.863 5.451 13.940 1.00 0.00 C ATOM 1117 CG ASN A 76 -14.465 6.848 13.918 1.00 0.00 C ATOM 1118 OD1 ASN A 76 -14.327 7.567 15.001 1.00 0.00 O flip ATOM 1119 ND2 ASN A 76 -15.088 7.255 12.930 1.00 0.00 N flip ATOM 0 H ASN A 76 -11.786 3.640 14.315 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.465 5.750 12.342 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.506 4.779 13.372 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.850 5.087 14.967 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.174 6.665 12.103 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.516 8.181 12.943 1.00 0.00 H new ATOM 1126 N LEU A 77 -11.168 7.399 13.646 1.00 0.00 N ATOM 1127 CA LEU A 77 -10.272 8.326 14.293 1.00 0.00 C ATOM 1128 C LEU A 77 -11.095 9.372 15.045 1.00 0.00 C ATOM 1129 O LEU A 77 -11.860 10.125 14.416 1.00 0.00 O ATOM 1130 CB LEU A 77 -9.373 9.011 13.246 1.00 0.00 C ATOM 1131 CG LEU A 77 -8.324 10.001 13.779 1.00 0.00 C ATOM 1132 CD1 LEU A 77 -7.301 9.293 14.653 1.00 0.00 C ATOM 1133 CD2 LEU A 77 -7.638 10.721 12.629 1.00 0.00 C ATOM 0 H LEU A 77 -11.529 7.729 12.751 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.635 7.789 14.996 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.854 8.235 12.683 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.014 9.541 12.541 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.838 10.740 14.393 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.571 10.016 15.017 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.805 8.829 15.500 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.792 8.526 14.069 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.899 11.418 13.025 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.143 9.992 11.987 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.380 11.270 12.049 1.00 0.00 H new ATOM 1145 N PRO A 78 -10.989 9.410 16.388 1.00 0.00 N ATOM 1146 CA PRO A 78 -11.720 10.373 17.221 1.00 0.00 C ATOM 1147 C PRO A 78 -11.391 11.827 16.867 1.00 0.00 C ATOM 1148 O PRO A 78 -10.295 12.137 16.364 1.00 0.00 O ATOM 1149 CB PRO A 78 -11.266 10.057 18.651 1.00 0.00 C ATOM 1150 CG PRO A 78 -10.050 9.211 18.513 1.00 0.00 C ATOM 1151 CD PRO A 78 -10.173 8.497 17.208 1.00 0.00 C ATOM 0 HA PRO A 78 -12.797 10.280 17.078 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.046 10.971 19.202 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.047 9.533 19.202 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.148 9.822 18.537 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.976 8.502 19.337 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.197 8.316 16.756 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.654 7.526 17.326 1.00 0.00 H new ATOM 1159 N ALA A 79 -12.328 12.706 17.118 1.00 0.00 N ATOM 1160 CA ALA A 79 -12.173 14.111 16.811 1.00 0.00 C ATOM 1161 C ALA A 79 -11.216 14.756 17.791 1.00 0.00 C ATOM 1162 O ALA A 79 -11.218 14.423 18.978 1.00 0.00 O ATOM 1163 CB ALA A 79 -13.515 14.804 16.847 1.00 0.00 C ATOM 0 H ALA A 79 -13.225 12.469 17.543 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.760 14.209 15.807 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.385 15.861 16.614 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.179 14.350 16.112 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.951 14.702 17.841 1.00 0.00 H new ATOM 1169 N GLY A 80 -10.373 15.634 17.286 1.00 0.00 N ATOM 1170 CA GLY A 80 -9.415 16.325 18.120 1.00 0.00 C ATOM 1171 C GLY A 80 -8.164 15.515 18.384 1.00 0.00 C ATOM 1172 O GLY A 80 -7.213 16.009 18.994 1.00 0.00 O ATOM 0 H GLY A 80 -10.333 15.885 16.298 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.138 17.265 17.643 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.885 16.577 19.071 1.00 0.00 H new ATOM 1176 N ALA A 81 -8.151 14.284 17.919 1.00 0.00 N ATOM 1177 CA ALA A 81 -7.036 13.405 18.151 1.00 0.00 C ATOM 1178 C ALA A 81 -5.871 13.766 17.260 1.00 0.00 C ATOM 1179 O ALA A 81 -6.045 14.017 16.061 1.00 0.00 O ATOM 1180 CB ALA A 81 -7.440 11.960 17.936 1.00 0.00 C ATOM 0 H ALA A 81 -8.908 13.871 17.375 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.722 13.525 19.188 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.582 11.312 18.116 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.243 11.700 18.626 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.786 11.828 16.911 1.00 0.00 H new ATOM 1186 N THR A 82 -4.712 13.820 17.831 1.00 0.00 N ATOM 1187 CA THR A 82 -3.547 14.104 17.087 1.00 0.00 C ATOM 1188 C THR A 82 -2.711 12.823 16.963 1.00 0.00 C ATOM 1189 O THR A 82 -2.563 12.064 17.927 1.00 0.00 O ATOM 1190 CB THR A 82 -2.736 15.291 17.696 1.00 0.00 C ATOM 1191 OG1 THR A 82 -1.690 15.680 16.797 1.00 0.00 O ATOM 1192 CG2 THR A 82 -2.133 14.940 19.058 1.00 0.00 C ATOM 0 H THR A 82 -4.555 13.667 18.827 1.00 0.00 H new ATOM 0 HA THR A 82 -3.832 14.433 16.088 1.00 0.00 H new ATOM 0 HB THR A 82 -3.432 16.117 17.843 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.939 15.437 15.881 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.578 15.796 19.442 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.931 14.683 19.754 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.459 14.090 18.949 1.00 0.00 H new ATOM 1200 N ILE A 83 -2.236 12.562 15.775 1.00 0.00 N ATOM 1201 CA ILE A 83 -1.480 11.368 15.477 1.00 0.00 C ATOM 1202 C ILE A 83 -0.230 11.779 14.709 1.00 0.00 C ATOM 1203 O ILE A 83 -0.289 12.688 13.873 1.00 0.00 O ATOM 1204 CB ILE A 83 -2.317 10.388 14.576 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -3.658 9.989 15.238 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -1.515 9.145 14.218 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -3.528 9.196 16.530 1.00 0.00 C ATOM 0 H ILE A 83 -2.363 13.179 14.973 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.228 10.862 16.409 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.548 10.929 13.658 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.229 10.895 15.442 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.237 9.401 14.525 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.121 8.488 13.595 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.617 9.436 13.672 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.231 8.620 15.130 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.521 8.964 16.916 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.989 8.269 16.335 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.981 9.786 17.266 1.00 0.00 H new ATOM 1219 N VAL A 84 0.879 11.164 15.000 1.00 0.00 N ATOM 1220 CA VAL A 84 2.089 11.414 14.263 1.00 0.00 C ATOM 1221 C VAL A 84 2.358 10.243 13.300 1.00 0.00 C ATOM 1222 O VAL A 84 2.613 9.093 13.713 1.00 0.00 O ATOM 1223 CB VAL A 84 3.313 11.741 15.193 1.00 0.00 C ATOM 1224 CG1 VAL A 84 3.593 10.639 16.201 1.00 0.00 C ATOM 1225 CG2 VAL A 84 4.558 12.066 14.373 1.00 0.00 C ATOM 0 H VAL A 84 0.973 10.479 15.750 1.00 0.00 H new ATOM 0 HA VAL A 84 1.949 12.317 13.668 1.00 0.00 H new ATOM 0 HB VAL A 84 3.041 12.627 15.766 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.448 10.918 16.817 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.719 10.497 16.837 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.813 9.711 15.674 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.388 12.288 15.044 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.815 11.211 13.748 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.361 12.932 13.741 1.00 0.00 H new ATOM 1235 N TYR A 85 2.273 10.530 12.033 1.00 0.00 N ATOM 1236 CA TYR A 85 2.393 9.521 11.004 1.00 0.00 C ATOM 1237 C TYR A 85 3.802 9.488 10.460 1.00 0.00 C ATOM 1238 O TYR A 85 4.507 10.494 10.508 1.00 0.00 O ATOM 1239 CB TYR A 85 1.365 9.764 9.878 1.00 0.00 C ATOM 1240 CG TYR A 85 1.422 11.148 9.232 1.00 0.00 C ATOM 1241 CD1 TYR A 85 2.286 11.414 8.181 1.00 0.00 C ATOM 1242 CD2 TYR A 85 0.594 12.177 9.668 1.00 0.00 C ATOM 1243 CE1 TYR A 85 2.327 12.660 7.587 1.00 0.00 C ATOM 1244 CE2 TYR A 85 0.633 13.426 9.075 1.00 0.00 C ATOM 1245 CZ TYR A 85 1.501 13.659 8.037 1.00 0.00 C ATOM 1246 OH TYR A 85 1.540 14.903 7.438 1.00 0.00 O ATOM 0 H TYR A 85 2.118 11.473 11.676 1.00 0.00 H new ATOM 0 HA TYR A 85 2.178 8.548 11.445 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.515 9.012 9.103 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.364 9.610 10.282 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.939 10.633 7.820 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.091 11.998 10.483 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.008 12.848 6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.016 14.214 9.427 1.00 0.00 H new ATOM 0 HH TYR A 85 1.793 14.805 6.496 1.00 0.00 H new ATOM 1256 N ASP A 86 4.212 8.344 9.965 1.00 0.00 N ATOM 1257 CA ASP A 86 5.566 8.175 9.434 1.00 0.00 C ATOM 1258 C ASP A 86 5.513 7.782 7.968 1.00 0.00 C ATOM 1259 O ASP A 86 6.547 7.539 7.319 1.00 0.00 O ATOM 1260 CB ASP A 86 6.324 7.092 10.223 1.00 0.00 C ATOM 1261 CG ASP A 86 5.820 5.669 9.972 1.00 0.00 C ATOM 1262 OD1 ASP A 86 4.656 5.359 10.306 1.00 0.00 O ATOM 1263 OD2 ASP A 86 6.608 4.818 9.495 1.00 0.00 O ATOM 0 H ASP A 86 3.633 7.506 9.914 1.00 0.00 H new ATOM 0 HA ASP A 86 6.090 9.125 9.535 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.382 7.142 9.964 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.245 7.311 11.288 1.00 0.00 H new ATOM 1268 N GLU A 87 4.326 7.753 7.437 1.00 0.00 N ATOM 1269 CA GLU A 87 4.110 7.310 6.099 1.00 0.00 C ATOM 1270 C GLU A 87 3.041 8.150 5.431 1.00 0.00 C ATOM 1271 O GLU A 87 1.998 8.432 6.024 1.00 0.00 O ATOM 1272 CB GLU A 87 3.726 5.839 6.151 1.00 0.00 C ATOM 1273 CG GLU A 87 3.366 5.194 4.840 1.00 0.00 C ATOM 1274 CD GLU A 87 3.165 3.721 5.022 1.00 0.00 C ATOM 1275 OE1 GLU A 87 2.230 3.316 5.744 1.00 0.00 O ATOM 1276 OE2 GLU A 87 3.967 2.936 4.482 1.00 0.00 O ATOM 0 H GLU A 87 3.478 8.039 7.927 1.00 0.00 H new ATOM 0 HA GLU A 87 5.015 7.424 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.557 5.284 6.588 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.879 5.731 6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.457 5.645 4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.156 5.373 4.110 1.00 0.00 H new ATOM 1283 N VAL A 88 3.325 8.581 4.230 1.00 0.00 N ATOM 1284 CA VAL A 88 2.406 9.358 3.435 1.00 0.00 C ATOM 1285 C VAL A 88 2.227 8.643 2.122 1.00 0.00 C ATOM 1286 O VAL A 88 3.212 8.284 1.477 1.00 0.00 O ATOM 1287 CB VAL A 88 2.947 10.797 3.174 1.00 0.00 C ATOM 1288 CG1 VAL A 88 2.021 11.573 2.257 1.00 0.00 C ATOM 1289 CG2 VAL A 88 3.107 11.545 4.473 1.00 0.00 C ATOM 0 H VAL A 88 4.216 8.400 3.768 1.00 0.00 H new ATOM 0 HA VAL A 88 1.461 9.457 3.968 1.00 0.00 H new ATOM 0 HB VAL A 88 3.919 10.700 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.424 12.572 2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.937 11.055 1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.035 11.650 2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.485 12.547 4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.141 11.616 4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.810 11.014 5.115 1.00 0.00 H new ATOM 1299 N CYS A 89 1.011 8.408 1.739 1.00 0.00 N ATOM 1300 CA CYS A 89 0.750 7.710 0.521 1.00 0.00 C ATOM 1301 C CYS A 89 -0.419 8.323 -0.230 1.00 0.00 C ATOM 1302 O CYS A 89 -1.391 8.765 0.363 1.00 0.00 O ATOM 1303 CB CYS A 89 0.531 6.222 0.807 1.00 0.00 C ATOM 1304 SG CYS A 89 -0.758 5.878 2.016 1.00 0.00 S ATOM 0 H CYS A 89 0.179 8.692 2.257 1.00 0.00 H new ATOM 0 HA CYS A 89 1.620 7.805 -0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.280 5.718 -0.127 1.00 0.00 H new ATOM 0 HB3 CYS A 89 1.468 5.791 1.160 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.050 6.968 2.661 1.00 0.00 H new ATOM 1310 N ILE A 90 -0.297 8.382 -1.517 1.00 0.00 N ATOM 1311 CA ILE A 90 -1.314 8.921 -2.366 1.00 0.00 C ATOM 1312 C ILE A 90 -2.101 7.793 -3.001 1.00 0.00 C ATOM 1313 O ILE A 90 -1.550 6.982 -3.770 1.00 0.00 O ATOM 1314 CB ILE A 90 -0.719 9.814 -3.493 1.00 0.00 C ATOM 1315 CG1 ILE A 90 0.044 11.008 -2.893 1.00 0.00 C ATOM 1316 CG2 ILE A 90 -1.825 10.300 -4.434 1.00 0.00 C ATOM 1317 CD1 ILE A 90 0.719 11.902 -3.923 1.00 0.00 C ATOM 0 H ILE A 90 0.527 8.051 -2.018 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.962 9.539 -1.745 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.016 9.214 -4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.650 11.610 -2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.801 10.632 -2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.390 10.923 -5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.320 9.441 -4.888 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.553 10.882 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.233 12.718 -3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.440 11.318 -4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.033 12.311 -4.598 1.00 0.00 H new ATOM 1329 N GLN A 91 -3.351 7.718 -2.652 1.00 0.00 N ATOM 1330 CA GLN A 91 -4.265 6.797 -3.256 1.00 0.00 C ATOM 1331 C GLN A 91 -5.281 7.660 -3.943 1.00 0.00 C ATOM 1332 O GLN A 91 -5.884 8.508 -3.287 1.00 0.00 O ATOM 1333 CB GLN A 91 -4.904 5.872 -2.197 1.00 0.00 C ATOM 1334 CG GLN A 91 -5.909 4.849 -2.731 1.00 0.00 C ATOM 1335 CD GLN A 91 -5.335 3.969 -3.833 1.00 0.00 C ATOM 1336 OE1 GLN A 91 -4.133 3.701 -3.884 1.00 0.00 O ATOM 1337 NE2 GLN A 91 -6.177 3.537 -4.736 1.00 0.00 N ATOM 0 H GLN A 91 -3.770 8.304 -1.929 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.774 6.125 -3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.107 5.336 -1.681 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.405 6.492 -1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.248 4.218 -1.909 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.785 5.374 -3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -7.166 3.776 -4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.844 2.961 -5.510 1.00 0.00 H new ATOM 1346 N ALA A 92 -5.516 7.412 -5.220 1.00 0.00 N ATOM 1347 CA ALA A 92 -6.269 8.326 -6.091 1.00 0.00 C ATOM 1348 C ALA A 92 -7.577 8.806 -5.473 1.00 0.00 C ATOM 1349 O ALA A 92 -8.510 8.021 -5.232 1.00 0.00 O ATOM 1350 CB ALA A 92 -6.531 7.663 -7.436 1.00 0.00 C ATOM 0 H ALA A 92 -5.192 6.569 -5.693 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.650 9.213 -6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.089 8.346 -8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.582 7.415 -7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.110 6.752 -7.286 1.00 0.00 H new ATOM 1356 N GLY A 93 -7.592 10.101 -5.144 1.00 0.00 N ATOM 1357 CA GLY A 93 -8.748 10.732 -4.566 1.00 0.00 C ATOM 1358 C GLY A 93 -8.445 11.411 -3.238 1.00 0.00 C ATOM 1359 O GLY A 93 -9.086 12.401 -2.873 1.00 0.00 O ATOM 0 H GLY A 93 -6.798 10.727 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.142 11.470 -5.265 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.528 9.985 -4.418 1.00 0.00 H new ATOM 1363 N HIS A 94 -7.467 10.899 -2.513 1.00 0.00 N ATOM 1364 CA HIS A 94 -7.132 11.414 -1.182 1.00 0.00 C ATOM 1365 C HIS A 94 -5.671 11.190 -0.913 1.00 0.00 C ATOM 1366 O HIS A 94 -4.992 10.484 -1.661 1.00 0.00 O ATOM 1367 CB HIS A 94 -7.932 10.680 -0.067 1.00 0.00 C ATOM 1368 CG HIS A 94 -9.417 10.812 -0.143 1.00 0.00 C ATOM 1369 ND1 HIS A 94 -10.216 9.901 -0.795 1.00 0.00 N ATOM 1370 CD2 HIS A 94 -10.250 11.761 0.336 1.00 0.00 C ATOM 1371 CE1 HIS A 94 -11.470 10.285 -0.720 1.00 0.00 C ATOM 1372 NE2 HIS A 94 -11.520 11.407 -0.040 1.00 0.00 N ATOM 0 H HIS A 94 -6.883 10.121 -2.819 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.383 12.475 -1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.678 9.621 -0.100 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.601 11.057 0.901 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.969 12.634 0.907 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.316 9.766 -1.145 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.368 11.931 0.174 1.00 0.00 H new ATOM 1381 N ILE A 95 -5.188 11.769 0.131 1.00 0.00 N ATOM 1382 CA ILE A 95 -3.863 11.496 0.560 1.00 0.00 C ATOM 1383 C ILE A 95 -4.008 10.731 1.860 1.00 0.00 C ATOM 1384 O ILE A 95 -4.763 11.122 2.726 1.00 0.00 O ATOM 1385 CB ILE A 95 -2.990 12.791 0.702 1.00 0.00 C ATOM 1386 CG1 ILE A 95 -1.521 12.432 0.941 1.00 0.00 C ATOM 1387 CG2 ILE A 95 -3.507 13.715 1.808 1.00 0.00 C ATOM 1388 CD1 ILE A 95 -0.595 13.632 0.916 1.00 0.00 C ATOM 0 H ILE A 95 -5.697 12.440 0.707 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.321 10.908 -0.181 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.068 13.336 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.429 11.932 1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.201 11.720 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.872 14.599 1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.529 14.018 1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.489 13.187 2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.430 13.305 1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.658 14.120 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.890 14.336 1.695 1.00 0.00 H new ATOM 1400 N TRP A 96 -3.379 9.627 1.954 1.00 0.00 N ATOM 1401 CA TRP A 96 -3.562 8.769 3.078 1.00 0.00 C ATOM 1402 C TRP A 96 -2.327 8.752 3.921 1.00 0.00 C ATOM 1403 O TRP A 96 -1.208 8.599 3.410 1.00 0.00 O ATOM 1404 CB TRP A 96 -3.925 7.352 2.611 1.00 0.00 C ATOM 1405 CG TRP A 96 -5.224 7.281 1.850 1.00 0.00 C ATOM 1406 CD1 TRP A 96 -5.444 7.662 0.561 1.00 0.00 C ATOM 1407 CD2 TRP A 96 -6.472 6.795 2.334 1.00 0.00 C ATOM 1408 NE1 TRP A 96 -6.754 7.449 0.220 1.00 0.00 N ATOM 1409 CE2 TRP A 96 -7.406 6.919 1.289 1.00 0.00 C ATOM 1410 CE3 TRP A 96 -6.894 6.273 3.546 1.00 0.00 C ATOM 1411 CZ2 TRP A 96 -8.730 6.536 1.427 1.00 0.00 C ATOM 1412 CZ3 TRP A 96 -8.203 5.895 3.684 1.00 0.00 C ATOM 1413 CH2 TRP A 96 -9.112 6.028 2.631 1.00 0.00 C ATOM 0 H TRP A 96 -2.718 9.282 1.258 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.384 9.150 3.684 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -3.123 6.970 1.980 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.986 6.697 3.480 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -4.694 8.073 -0.098 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -7.172 7.654 -0.688 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -6.202 6.166 4.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.431 6.636 0.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.539 5.486 4.625 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.138 5.722 2.775 1.00 0.00 H new ATOM 1424 N ILE A 97 -2.504 8.933 5.187 1.00 0.00 N ATOM 1425 CA ILE A 97 -1.397 8.899 6.095 1.00 0.00 C ATOM 1426 C ILE A 97 -1.356 7.546 6.778 1.00 0.00 C ATOM 1427 O ILE A 97 -2.397 7.017 7.194 1.00 0.00 O ATOM 1428 CB ILE A 97 -1.440 10.044 7.150 1.00 0.00 C ATOM 1429 CG1 ILE A 97 -2.713 9.964 8.016 1.00 0.00 C ATOM 1430 CG2 ILE A 97 -1.349 11.401 6.449 1.00 0.00 C ATOM 1431 CD1 ILE A 97 -2.742 10.940 9.176 1.00 0.00 C ATOM 0 H ILE A 97 -3.410 9.107 5.623 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.488 9.056 5.515 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.584 9.928 7.815 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.581 10.145 7.382 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.809 8.951 8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.380 12.197 7.193 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.414 11.461 5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.188 11.513 5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.671 10.817 9.732 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.896 10.747 9.835 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.680 11.959 8.795 1.00 0.00 H new ATOM 1443 N GLY A 98 -0.185 6.981 6.849 1.00 0.00 N ATOM 1444 CA GLY A 98 -0.014 5.693 7.441 1.00 0.00 C ATOM 1445 C GLY A 98 0.609 5.795 8.794 1.00 0.00 C ATOM 1446 O GLY A 98 1.650 6.456 8.963 1.00 0.00 O ATOM 0 H GLY A 98 0.675 7.403 6.498 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.981 5.196 7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.611 5.074 6.797 1.00 0.00 H new ATOM 1450 N TYR A 99 -0.017 5.177 9.754 1.00 0.00 N ATOM 1451 CA TYR A 99 0.455 5.187 11.112 1.00 0.00 C ATOM 1452 C TYR A 99 0.019 3.922 11.817 1.00 0.00 C ATOM 1453 O TYR A 99 -0.862 3.208 11.332 1.00 0.00 O ATOM 1454 CB TYR A 99 -0.090 6.423 11.855 1.00 0.00 C ATOM 1455 CG TYR A 99 -1.614 6.561 11.846 1.00 0.00 C ATOM 1456 CD1 TYR A 99 -2.403 5.943 12.817 1.00 0.00 C ATOM 1457 CD2 TYR A 99 -2.254 7.327 10.879 1.00 0.00 C ATOM 1458 CE1 TYR A 99 -3.777 6.086 12.816 1.00 0.00 C ATOM 1459 CE2 TYR A 99 -3.626 7.470 10.873 1.00 0.00 C ATOM 1460 CZ TYR A 99 -4.382 6.850 11.843 1.00 0.00 C ATOM 1461 OH TYR A 99 -5.751 7.001 11.845 1.00 0.00 O ATOM 0 H TYR A 99 -0.877 4.647 9.617 1.00 0.00 H new ATOM 0 HA TYR A 99 1.544 5.234 11.108 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.251 6.386 12.890 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.344 7.318 11.408 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.932 5.343 13.582 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.666 7.819 10.118 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.374 5.601 13.574 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.106 8.066 10.111 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.975 7.952 11.773 1.00 0.00 H new ATOM 1471 N ASN A 100 0.631 3.638 12.929 1.00 0.00 N ATOM 1472 CA ASN A 100 0.218 2.520 13.749 1.00 0.00 C ATOM 1473 C ASN A 100 -0.660 3.035 14.842 1.00 0.00 C ATOM 1474 O ASN A 100 -0.227 3.841 15.666 1.00 0.00 O ATOM 1475 CB ASN A 100 1.409 1.741 14.345 1.00 0.00 C ATOM 1476 CG ASN A 100 2.089 0.811 13.357 1.00 0.00 C ATOM 1477 OD1 ASN A 100 2.094 1.045 12.152 1.00 0.00 O ATOM 1478 ND2 ASN A 100 2.688 -0.236 13.857 1.00 0.00 N ATOM 0 H ASN A 100 1.424 4.164 13.297 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.322 1.816 13.116 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.143 2.452 14.724 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.060 1.158 15.197 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.177 -0.886 13.242 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.667 -0.404 14.863 1.00 0.00 H new ATOM 1485 N ALA A 101 -1.891 2.609 14.845 1.00 0.00 N ATOM 1486 CA ALA A 101 -2.839 3.059 15.833 1.00 0.00 C ATOM 1487 C ALA A 101 -2.593 2.380 17.175 1.00 0.00 C ATOM 1488 O ALA A 101 -1.711 1.522 17.295 1.00 0.00 O ATOM 1489 CB ALA A 101 -4.263 2.811 15.353 1.00 0.00 C ATOM 0 H ALA A 101 -2.267 1.944 14.169 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.704 4.132 15.973 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.967 3.156 16.110 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.434 3.355 14.424 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.409 1.744 15.181 1.00 0.00 H new ATOM 1495 N TYR A 102 -3.393 2.756 18.160 1.00 0.00 N ATOM 1496 CA TYR A 102 -3.360 2.248 19.554 1.00 0.00 C ATOM 1497 C TYR A 102 -3.289 0.714 19.656 1.00 0.00 C ATOM 1498 O TYR A 102 -2.756 0.172 20.614 1.00 0.00 O ATOM 1499 CB TYR A 102 -4.621 2.755 20.306 1.00 0.00 C ATOM 1500 CG TYR A 102 -5.944 2.345 19.652 1.00 0.00 C ATOM 1501 CD1 TYR A 102 -6.509 3.106 18.631 1.00 0.00 C ATOM 1502 CD2 TYR A 102 -6.610 1.190 20.048 1.00 0.00 C ATOM 1503 CE1 TYR A 102 -7.689 2.723 18.025 1.00 0.00 C ATOM 1504 CE2 TYR A 102 -7.790 0.805 19.448 1.00 0.00 C ATOM 1505 CZ TYR A 102 -8.325 1.572 18.436 1.00 0.00 C ATOM 1506 OH TYR A 102 -9.498 1.179 17.832 1.00 0.00 O ATOM 0 H TYR A 102 -4.122 3.455 18.020 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.444 2.629 20.006 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -4.599 2.375 21.327 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.581 3.842 20.370 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.016 4.011 18.308 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -6.195 0.584 20.840 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -8.111 3.323 17.232 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -8.293 -0.095 19.770 1.00 0.00 H new ATOM 0 HH TYR A 102 -9.813 0.346 18.241 1.00 0.00 H new ATOM 1516 N ASN A 103 -3.813 0.042 18.668 1.00 0.00 N ATOM 1517 CA ASN A 103 -3.901 -1.405 18.667 1.00 0.00 C ATOM 1518 C ASN A 103 -2.786 -2.050 17.851 1.00 0.00 C ATOM 1519 O ASN A 103 -2.743 -3.270 17.706 1.00 0.00 O ATOM 1520 CB ASN A 103 -5.280 -1.845 18.158 1.00 0.00 C ATOM 1521 CG ASN A 103 -5.604 -1.389 16.741 1.00 0.00 C ATOM 1522 OD1 ASN A 103 -5.092 -0.371 16.248 1.00 0.00 O ATOM 1523 ND2 ASN A 103 -6.481 -2.102 16.101 1.00 0.00 N ATOM 0 H ASN A 103 -4.196 0.481 17.831 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.774 -1.747 19.694 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.338 -2.933 18.199 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.043 -1.459 18.834 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -6.770 -1.831 15.161 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.880 -2.933 16.538 1.00 0.00 H new ATOM 1530 N GLY A 104 -1.896 -1.233 17.319 1.00 0.00 N ATOM 1531 CA GLY A 104 -0.752 -1.741 16.576 1.00 0.00 C ATOM 1532 C GLY A 104 -1.036 -1.930 15.103 1.00 0.00 C ATOM 1533 O GLY A 104 -0.165 -2.359 14.340 1.00 0.00 O ATOM 0 H GLY A 104 -1.941 -0.216 17.386 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.084 -1.052 16.693 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.442 -2.694 17.005 1.00 0.00 H new ATOM 1537 N ASN A 105 -2.234 -1.609 14.695 1.00 0.00 N ATOM 1538 CA ASN A 105 -2.626 -1.767 13.319 1.00 0.00 C ATOM 1539 C ASN A 105 -2.136 -0.616 12.482 1.00 0.00 C ATOM 1540 O ASN A 105 -2.206 0.544 12.913 1.00 0.00 O ATOM 1541 CB ASN A 105 -4.147 -1.892 13.186 1.00 0.00 C ATOM 1542 CG ASN A 105 -4.707 -3.224 13.663 1.00 0.00 C ATOM 1543 OD1 ASN A 105 -4.150 -3.879 14.539 1.00 0.00 O ATOM 1544 ND2 ASN A 105 -5.820 -3.624 13.102 1.00 0.00 N ATOM 0 H ASN A 105 -2.962 -1.233 15.302 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.168 -2.687 12.956 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -4.617 -1.089 13.753 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.422 -1.748 12.141 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -6.249 -4.503 13.390 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.258 -3.056 12.377 1.00 0.00 H new ATOM 1551 N ARG A 106 -1.603 -0.934 11.319 1.00 0.00 N ATOM 1552 CA ARG A 106 -1.205 0.057 10.349 1.00 0.00 C ATOM 1553 C ARG A 106 -2.462 0.597 9.690 1.00 0.00 C ATOM 1554 O ARG A 106 -3.094 -0.061 8.860 1.00 0.00 O ATOM 1555 CB ARG A 106 -0.196 -0.546 9.337 1.00 0.00 C ATOM 1556 CG ARG A 106 0.167 0.329 8.125 1.00 0.00 C ATOM 1557 CD ARG A 106 0.619 1.742 8.496 1.00 0.00 C ATOM 1558 NE ARG A 106 1.743 1.783 9.444 1.00 0.00 N ATOM 1559 CZ ARG A 106 2.713 2.713 9.441 1.00 0.00 C ATOM 1560 NH1 ARG A 106 2.961 3.433 8.355 1.00 0.00 N ATOM 1561 NH2 ARG A 106 3.496 2.854 10.496 1.00 0.00 N ATOM 0 H ARG A 106 -1.434 -1.895 11.022 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.683 0.887 10.826 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.723 -0.785 9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.604 -1.487 8.968 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.961 -0.160 7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.698 0.396 7.465 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.905 2.271 7.587 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.225 2.281 8.926 1.00 0.00 H new ATOM 0 HE ARG A 106 1.789 1.053 10.155 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.412 3.284 7.508 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.700 4.136 8.367 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.364 2.257 11.312 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.232 3.560 10.494 1.00 0.00 H new ATOM 1575 N VAL A 107 -2.840 1.753 10.118 1.00 0.00 N ATOM 1576 CA VAL A 107 -4.062 2.374 9.715 1.00 0.00 C ATOM 1577 C VAL A 107 -3.763 3.544 8.794 1.00 0.00 C ATOM 1578 O VAL A 107 -2.736 4.225 8.950 1.00 0.00 O ATOM 1579 CB VAL A 107 -4.863 2.845 10.974 1.00 0.00 C ATOM 1580 CG1 VAL A 107 -6.164 3.521 10.599 1.00 0.00 C ATOM 1581 CG2 VAL A 107 -5.143 1.669 11.900 1.00 0.00 C ATOM 0 H VAL A 107 -2.295 2.310 10.776 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.673 1.654 9.172 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.243 3.576 11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.687 3.831 11.504 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.955 4.395 9.982 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.788 2.824 10.040 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.701 2.016 12.770 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.729 0.919 11.369 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.200 1.229 12.225 1.00 0.00 H new ATOM 1591 N TYR A 108 -4.622 3.726 7.826 1.00 0.00 N ATOM 1592 CA TYR A 108 -4.526 4.787 6.878 1.00 0.00 C ATOM 1593 C TYR A 108 -5.738 5.678 7.003 1.00 0.00 C ATOM 1594 O TYR A 108 -6.884 5.206 6.932 1.00 0.00 O ATOM 1595 CB TYR A 108 -4.400 4.235 5.453 1.00 0.00 C ATOM 1596 CG TYR A 108 -3.101 3.515 5.208 1.00 0.00 C ATOM 1597 CD1 TYR A 108 -1.972 4.223 4.855 1.00 0.00 C ATOM 1598 CD2 TYR A 108 -2.994 2.134 5.347 1.00 0.00 C ATOM 1599 CE1 TYR A 108 -0.771 3.596 4.646 1.00 0.00 C ATOM 1600 CE2 TYR A 108 -1.788 1.493 5.133 1.00 0.00 C ATOM 1601 CZ TYR A 108 -0.680 2.237 4.784 1.00 0.00 C ATOM 1602 OH TYR A 108 0.532 1.619 4.583 1.00 0.00 O ATOM 0 H TYR A 108 -5.428 3.119 7.677 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.629 5.371 7.085 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.228 3.553 5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.492 5.057 4.743 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.035 5.295 4.741 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.863 1.557 5.625 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.101 4.172 4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.714 0.421 5.238 1.00 0.00 H new ATOM 0 HH TYR A 108 1.234 2.113 5.056 1.00 0.00 H new ATOM 1612 N CYS A 109 -5.498 6.934 7.223 1.00 0.00 N ATOM 1613 CA CYS A 109 -6.559 7.893 7.352 1.00 0.00 C ATOM 1614 C CYS A 109 -6.636 8.707 6.063 1.00 0.00 C ATOM 1615 O CYS A 109 -5.596 9.124 5.542 1.00 0.00 O ATOM 1616 CB CYS A 109 -6.317 8.797 8.572 1.00 0.00 C ATOM 1617 SG CYS A 109 -7.662 9.949 8.950 1.00 0.00 S ATOM 0 H CYS A 109 -4.561 7.326 7.319 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.510 7.384 7.510 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.143 8.166 9.444 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.404 9.369 8.406 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.268 10.795 9.855 1.00 0.00 H new ATOM 1623 N PRO A 110 -7.862 8.906 5.511 1.00 0.00 N ATOM 1624 CA PRO A 110 -8.062 9.623 4.239 1.00 0.00 C ATOM 1625 C PRO A 110 -7.754 11.112 4.327 1.00 0.00 C ATOM 1626 O PRO A 110 -7.505 11.731 3.310 1.00 0.00 O ATOM 1627 CB PRO A 110 -9.545 9.401 3.920 1.00 0.00 C ATOM 1628 CG PRO A 110 -10.183 9.118 5.237 1.00 0.00 C ATOM 1629 CD PRO A 110 -9.141 8.420 6.070 1.00 0.00 C ATOM 0 HA PRO A 110 -7.384 9.250 3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.984 10.281 3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.680 8.569 3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.510 10.040 5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.067 8.492 5.114 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.238 8.672 7.126 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.226 7.336 5.992 1.00 0.00 H new ATOM 1637 N VAL A 111 -7.822 11.649 5.566 1.00 0.00 N ATOM 1638 CA VAL A 111 -7.494 13.056 5.981 1.00 0.00 C ATOM 1639 C VAL A 111 -8.064 14.232 5.131 1.00 0.00 C ATOM 1640 O VAL A 111 -8.701 15.148 5.684 1.00 0.00 O ATOM 1641 CB VAL A 111 -5.985 13.277 6.323 1.00 0.00 C ATOM 1642 CG1 VAL A 111 -5.576 12.398 7.475 1.00 0.00 C ATOM 1643 CG2 VAL A 111 -5.073 13.023 5.137 1.00 0.00 C ATOM 0 H VAL A 111 -8.125 11.087 6.361 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.076 13.117 6.900 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.876 14.326 6.599 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.523 12.563 7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.178 12.642 8.350 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.731 11.353 7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.037 13.191 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.192 11.993 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.334 13.702 4.325 1.00 0.00 H new ATOM 1653 N ARG A 112 -7.835 14.221 3.838 1.00 0.00 N ATOM 1654 CA ARG A 112 -8.279 15.268 2.959 1.00 0.00 C ATOM 1655 C ARG A 112 -8.343 14.772 1.533 1.00 0.00 C ATOM 1656 O ARG A 112 -7.677 13.791 1.175 1.00 0.00 O ATOM 1657 CB ARG A 112 -7.363 16.500 3.048 1.00 0.00 C ATOM 1658 CG ARG A 112 -5.911 16.300 2.671 1.00 0.00 C ATOM 1659 CD ARG A 112 -5.177 17.624 2.784 1.00 0.00 C ATOM 1660 NE ARG A 112 -3.730 17.513 2.568 1.00 0.00 N ATOM 1661 CZ ARG A 112 -2.890 18.566 2.543 1.00 0.00 C ATOM 1662 NH1 ARG A 112 -3.357 19.793 2.774 1.00 0.00 N ATOM 1663 NH2 ARG A 112 -1.590 18.383 2.344 1.00 0.00 N ATOM 0 H ARG A 112 -7.328 13.473 3.365 1.00 0.00 H new ATOM 0 HA ARG A 112 -9.279 15.564 3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -7.777 17.278 2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.400 16.877 4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.452 15.559 3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.837 15.916 1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -5.592 18.323 2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -5.357 18.047 3.772 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.336 16.582 2.428 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -4.348 19.933 2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.723 20.592 2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.222 17.441 2.209 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.959 19.184 2.326 1.00 0.00 H new ATOM 1677 N THR A 113 -9.144 15.422 0.732 1.00 0.00 N ATOM 1678 CA THR A 113 -9.234 15.115 -0.667 1.00 0.00 C ATOM 1679 C THR A 113 -7.970 15.613 -1.362 1.00 0.00 C ATOM 1680 O THR A 113 -7.460 16.687 -1.011 1.00 0.00 O ATOM 1681 CB THR A 113 -10.509 15.759 -1.268 1.00 0.00 C ATOM 1682 OG1 THR A 113 -10.710 17.073 -0.697 1.00 0.00 O ATOM 1683 CG2 THR A 113 -11.731 14.893 -0.989 1.00 0.00 C ATOM 0 H THR A 113 -9.754 16.182 1.034 1.00 0.00 H new ATOM 0 HA THR A 113 -9.311 14.038 -0.815 1.00 0.00 H new ATOM 0 HB THR A 113 -10.377 15.844 -2.347 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.516 17.477 -1.081 1.00 0.00 H new ATOM 0 HG21 THR A 113 -12.616 15.363 -1.419 1.00 0.00 H new ATOM 0 HG22 THR A 113 -11.589 13.909 -1.436 1.00 0.00 H new ATOM 0 HG23 THR A 113 -11.864 14.787 0.088 1.00 0.00 H new ATOM 1691 N CYS A 114 -7.411 14.819 -2.257 1.00 0.00 N ATOM 1692 CA CYS A 114 -6.189 15.186 -2.960 1.00 0.00 C ATOM 1693 C CYS A 114 -6.087 14.489 -4.295 1.00 0.00 C ATOM 1694 O CYS A 114 -6.333 13.286 -4.400 1.00 0.00 O ATOM 1695 CB CYS A 114 -4.923 14.858 -2.137 1.00 0.00 C ATOM 1696 SG CYS A 114 -4.730 15.814 -0.622 1.00 0.00 S ATOM 0 H CYS A 114 -7.786 13.907 -2.518 1.00 0.00 H new ATOM 0 HA CYS A 114 -6.245 16.264 -3.112 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -4.939 13.799 -1.881 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -4.047 15.021 -2.765 1.00 0.00 H new ATOM 0 HG CYS A 114 -5.811 16.501 -0.402 1.00 0.00 H new ATOM 1702 N GLN A 115 -5.759 15.239 -5.309 1.00 0.00 N ATOM 1703 CA GLN A 115 -5.457 14.669 -6.582 1.00 0.00 C ATOM 1704 C GLN A 115 -3.976 14.576 -6.626 1.00 0.00 C ATOM 1705 O GLN A 115 -3.272 15.590 -6.585 1.00 0.00 O ATOM 1706 CB GLN A 115 -5.969 15.514 -7.738 1.00 0.00 C ATOM 1707 CG GLN A 115 -7.457 15.759 -7.709 1.00 0.00 C ATOM 1708 CD GLN A 115 -8.303 14.493 -7.740 1.00 0.00 C ATOM 1709 OE1 GLN A 115 -8.648 13.985 -8.807 1.00 0.00 O ATOM 1710 NE2 GLN A 115 -8.685 14.014 -6.586 1.00 0.00 N ATOM 0 H GLN A 115 -5.695 16.256 -5.273 1.00 0.00 H new ATOM 0 HA GLN A 115 -5.945 13.700 -6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -5.453 16.474 -7.729 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -5.711 15.022 -8.676 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -7.703 16.324 -6.810 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -7.727 16.383 -8.561 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -8.379 14.461 -5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -9.289 13.193 -6.549 1.00 0.00 H new ATOM 1719 N GLY A 116 -3.505 13.408 -6.639 1.00 0.00 N ATOM 1720 CA GLY A 116 -2.107 13.213 -6.543 1.00 0.00 C ATOM 1721 C GLY A 116 -1.518 12.461 -7.691 1.00 0.00 C ATOM 1722 O GLY A 116 -1.821 11.286 -7.911 1.00 0.00 O ATOM 0 H GLY A 116 -4.060 12.556 -6.715 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -1.619 14.185 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -1.888 12.676 -5.620 1.00 0.00 H new ATOM 1726 N VAL A 117 -0.708 13.147 -8.429 1.00 0.00 N ATOM 1727 CA VAL A 117 0.073 12.582 -9.485 1.00 0.00 C ATOM 1728 C VAL A 117 1.525 12.964 -9.217 1.00 0.00 C ATOM 1729 O VAL A 117 1.945 14.086 -9.504 1.00 0.00 O ATOM 1730 CB VAL A 117 -0.411 12.996 -10.927 1.00 0.00 C ATOM 1731 CG1 VAL A 117 -1.702 12.266 -11.277 1.00 0.00 C ATOM 1732 CG2 VAL A 117 -0.640 14.507 -11.042 1.00 0.00 C ATOM 0 H VAL A 117 -0.566 14.150 -8.311 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.045 11.498 -9.484 1.00 0.00 H new ATOM 0 HB VAL A 117 0.378 12.717 -11.625 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.027 12.560 -12.275 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.529 11.190 -11.254 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.474 12.525 -10.553 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.973 14.749 -12.051 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.401 14.815 -10.325 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.291 15.033 -10.831 1.00 0.00 H new ATOM 1742 N PRO A 118 2.289 12.035 -8.589 1.00 0.00 N ATOM 1743 CA PRO A 118 3.647 12.287 -8.071 1.00 0.00 C ATOM 1744 C PRO A 118 4.549 13.099 -9.004 1.00 0.00 C ATOM 1745 O PRO A 118 4.665 12.799 -10.192 1.00 0.00 O ATOM 1746 CB PRO A 118 4.205 10.886 -7.874 1.00 0.00 C ATOM 1747 CG PRO A 118 3.014 10.092 -7.503 1.00 0.00 C ATOM 1748 CD PRO A 118 1.886 10.631 -8.339 1.00 0.00 C ATOM 0 HA PRO A 118 3.608 12.897 -7.168 1.00 0.00 H new ATOM 0 HB2 PRO A 118 4.673 10.508 -8.783 1.00 0.00 H new ATOM 0 HB3 PRO A 118 4.964 10.862 -7.092 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.174 9.032 -7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 118 2.794 10.190 -6.440 1.00 0.00 H new ATOM 0 HD2 PRO A 118 1.772 10.073 -9.269 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.933 10.573 -7.814 1.00 0.00 H new ATOM 1756 N PRO A 119 5.203 14.149 -8.472 1.00 0.00 N ATOM 1757 CA PRO A 119 5.127 14.545 -7.061 1.00 0.00 C ATOM 1758 C PRO A 119 4.028 15.601 -6.786 1.00 0.00 C ATOM 1759 O PRO A 119 3.897 16.111 -5.651 1.00 0.00 O ATOM 1760 CB PRO A 119 6.527 15.157 -6.820 1.00 0.00 C ATOM 1761 CG PRO A 119 7.179 15.273 -8.178 1.00 0.00 C ATOM 1762 CD PRO A 119 6.103 15.030 -9.195 1.00 0.00 C ATOM 0 HA PRO A 119 4.871 13.709 -6.411 1.00 0.00 H new ATOM 0 HB2 PRO A 119 6.447 16.134 -6.342 1.00 0.00 H new ATOM 0 HB3 PRO A 119 7.119 14.525 -6.157 1.00 0.00 H new ATOM 0 HG2 PRO A 119 7.622 16.260 -8.312 1.00 0.00 H new ATOM 0 HG3 PRO A 119 7.984 14.545 -8.284 1.00 0.00 H new ATOM 0 HD2 PRO A 119 5.613 15.954 -9.500 1.00 0.00 H new ATOM 0 HD3 PRO A 119 6.493 14.563 -10.099 1.00 0.00 H new ATOM 1770 N ASN A 120 3.211 15.876 -7.800 1.00 0.00 N ATOM 1771 CA ASN A 120 2.181 16.916 -7.720 1.00 0.00 C ATOM 1772 C ASN A 120 1.025 16.441 -6.877 1.00 0.00 C ATOM 1773 O ASN A 120 0.207 15.622 -7.305 1.00 0.00 O ATOM 1774 CB ASN A 120 1.640 17.309 -9.115 1.00 0.00 C ATOM 1775 CG ASN A 120 2.699 17.775 -10.093 1.00 0.00 C ATOM 1776 OD1 ASN A 120 3.042 18.965 -10.155 1.00 0.00 O ATOM 1777 ND2 ASN A 120 3.185 16.867 -10.907 1.00 0.00 N ATOM 0 H ASN A 120 3.241 15.389 -8.696 1.00 0.00 H new ATOM 0 HA ASN A 120 2.651 17.790 -7.269 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.120 16.452 -9.543 1.00 0.00 H new ATOM 0 HB3 ASN A 120 0.902 18.102 -8.994 1.00 0.00 H new ATOM 0 HD21 ASN A 120 3.867 17.132 -11.618 1.00 0.00 H new ATOM 0 HD22 ASN A 120 2.881 15.897 -10.828 1.00 0.00 H new ATOM 1784 N HIS A 121 0.992 16.907 -5.672 1.00 0.00 N ATOM 1785 CA HIS A 121 -0.072 16.597 -4.756 1.00 0.00 C ATOM 1786 C HIS A 121 -0.994 17.796 -4.622 1.00 0.00 C ATOM 1787 O HIS A 121 -0.605 18.812 -4.048 1.00 0.00 O ATOM 1788 CB HIS A 121 0.473 16.064 -3.395 1.00 0.00 C ATOM 1789 CG HIS A 121 1.503 16.929 -2.691 1.00 0.00 C ATOM 1790 ND1 HIS A 121 2.833 16.999 -3.078 1.00 0.00 N ATOM 1791 CD2 HIS A 121 1.397 17.725 -1.600 1.00 0.00 C ATOM 1792 CE1 HIS A 121 3.481 17.790 -2.252 1.00 0.00 C ATOM 1793 NE2 HIS A 121 2.638 18.243 -1.348 1.00 0.00 N ATOM 0 H HIS A 121 1.708 17.521 -5.285 1.00 0.00 H new ATOM 0 HA HIS A 121 -0.668 15.777 -5.156 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -0.372 15.923 -2.721 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.912 15.081 -3.565 1.00 0.00 H new ATOM 0 HD1 HIS A 121 3.243 16.514 -3.876 1.00 0.00 H new ATOM 0 HD2 HIS A 121 0.498 17.916 -1.033 1.00 0.00 H new ATOM 0 HE1 HIS A 121 4.533 18.029 -2.306 1.00 0.00 H new ATOM 1802 N ILE A 122 -2.173 17.701 -5.203 1.00 0.00 N ATOM 1803 CA ILE A 122 -3.140 18.796 -5.210 1.00 0.00 C ATOM 1804 C ILE A 122 -4.207 18.558 -4.134 1.00 0.00 C ATOM 1805 O ILE A 122 -5.125 17.762 -4.341 1.00 0.00 O ATOM 1806 CB ILE A 122 -3.858 18.884 -6.584 1.00 0.00 C ATOM 1807 CG1 ILE A 122 -2.834 18.879 -7.726 1.00 0.00 C ATOM 1808 CG2 ILE A 122 -4.718 20.148 -6.650 1.00 0.00 C ATOM 1809 CD1 ILE A 122 -3.446 18.820 -9.109 1.00 0.00 C ATOM 0 H ILE A 122 -2.495 16.863 -5.687 1.00 0.00 H new ATOM 0 HA ILE A 122 -2.599 19.722 -5.015 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.504 18.013 -6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.219 19.776 -7.651 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -2.169 18.025 -7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.216 20.199 -7.618 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -5.466 20.121 -5.858 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -4.085 21.026 -6.521 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -2.654 18.820 -9.858 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -4.037 17.910 -9.207 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.088 19.688 -9.260 1.00 0.00 H new ATOM 1821 N PRO A 123 -4.103 19.212 -2.980 1.00 0.00 N ATOM 1822 CA PRO A 123 -5.039 19.028 -1.885 1.00 0.00 C ATOM 1823 C PRO A 123 -6.325 19.832 -2.050 1.00 0.00 C ATOM 1824 O PRO A 123 -6.346 20.892 -2.699 1.00 0.00 O ATOM 1825 CB PRO A 123 -4.267 19.531 -0.652 1.00 0.00 C ATOM 1826 CG PRO A 123 -2.926 19.973 -1.157 1.00 0.00 C ATOM 1827 CD PRO A 123 -3.080 20.186 -2.629 1.00 0.00 C ATOM 0 HA PRO A 123 -5.360 17.988 -1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -4.794 20.355 -0.171 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -4.163 18.741 0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -2.608 20.891 -0.663 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -2.166 19.220 -0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -3.392 21.204 -2.862 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.148 20.007 -3.165 1.00 0.00 H new ATOM 1835 N GLY A 124 -7.380 19.309 -1.501 1.00 0.00 N ATOM 1836 CA GLY A 124 -8.632 19.984 -1.476 1.00 0.00 C ATOM 1837 C GLY A 124 -9.007 20.347 -0.060 1.00 0.00 C ATOM 1838 O GLY A 124 -8.276 21.086 0.614 1.00 0.00 O ATOM 0 H GLY A 124 -7.390 18.392 -1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.579 20.885 -2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.403 19.349 -1.912 1.00 0.00 H new ATOM 1842 N VAL A 125 -10.081 19.780 0.417 1.00 0.00 N ATOM 1843 CA VAL A 125 -10.603 20.100 1.735 1.00 0.00 C ATOM 1844 C VAL A 125 -10.140 19.074 2.751 1.00 0.00 C ATOM 1845 O VAL A 125 -10.294 17.861 2.544 1.00 0.00 O ATOM 1846 CB VAL A 125 -12.151 20.167 1.727 1.00 0.00 C ATOM 1847 CG1 VAL A 125 -12.703 20.526 3.108 1.00 0.00 C ATOM 1848 CG2 VAL A 125 -12.634 21.155 0.679 1.00 0.00 C ATOM 0 H VAL A 125 -10.625 19.082 -0.090 1.00 0.00 H new ATOM 0 HA VAL A 125 -10.218 21.081 2.013 1.00 0.00 H new ATOM 0 HB VAL A 125 -12.528 19.177 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -13.792 20.564 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -12.394 19.771 3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -12.317 21.499 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -13.723 21.190 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -12.238 22.145 0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -12.288 20.840 -0.305 1.00 0.00 H new ATOM 1858 N ALA A 126 -9.507 19.553 3.795 1.00 0.00 N ATOM 1859 CA ALA A 126 -9.058 18.706 4.865 1.00 0.00 C ATOM 1860 C ALA A 126 -10.053 18.657 5.990 1.00 0.00 C ATOM 1861 O ALA A 126 -10.726 19.648 6.280 1.00 0.00 O ATOM 1862 CB ALA A 126 -7.711 19.142 5.370 1.00 0.00 C ATOM 0 H ALA A 126 -9.290 20.541 3.923 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.964 17.698 4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -7.395 18.484 6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.985 19.093 4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.775 20.166 5.739 1.00 0.00 H new ATOM 1868 N TRP A 127 -10.130 17.521 6.639 1.00 0.00 N ATOM 1869 CA TRP A 127 -11.004 17.361 7.777 1.00 0.00 C ATOM 1870 C TRP A 127 -10.179 17.453 9.064 1.00 0.00 C ATOM 1871 O TRP A 127 -10.656 17.145 10.161 1.00 0.00 O ATOM 1872 CB TRP A 127 -11.752 16.024 7.689 1.00 0.00 C ATOM 1873 CG TRP A 127 -12.485 15.847 6.388 1.00 0.00 C ATOM 1874 CD1 TRP A 127 -13.424 16.680 5.858 1.00 0.00 C ATOM 1875 CD2 TRP A 127 -12.347 14.759 5.460 1.00 0.00 C ATOM 1876 NE1 TRP A 127 -13.856 16.196 4.650 1.00 0.00 N ATOM 1877 CE2 TRP A 127 -13.217 15.018 4.384 1.00 0.00 C ATOM 1878 CE3 TRP A 127 -11.568 13.599 5.428 1.00 0.00 C ATOM 1879 CZ2 TRP A 127 -13.330 14.162 3.292 1.00 0.00 C ATOM 1880 CZ3 TRP A 127 -11.683 12.750 4.347 1.00 0.00 C ATOM 1881 CH2 TRP A 127 -12.555 13.035 3.291 1.00 0.00 C ATOM 0 H TRP A 127 -9.594 16.688 6.397 1.00 0.00 H new ATOM 0 HA TRP A 127 -11.749 18.156 7.783 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -11.041 15.207 7.814 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -12.463 15.956 8.513 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -13.777 17.589 6.322 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -14.545 16.644 4.046 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.888 13.371 6.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -14.004 14.380 2.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -11.089 11.849 4.315 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -12.618 12.351 2.458 1.00 0.00 H new ATOM 1892 N GLY A 128 -8.951 17.909 8.916 1.00 0.00 N ATOM 1893 CA GLY A 128 -8.059 18.060 10.024 1.00 0.00 C ATOM 1894 C GLY A 128 -6.925 18.987 9.669 1.00 0.00 C ATOM 1895 O GLY A 128 -6.843 19.460 8.532 1.00 0.00 O ATOM 0 H GLY A 128 -8.553 18.183 8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.602 18.453 10.884 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.663 17.087 10.314 1.00 0.00 H new ATOM 1899 N VAL A 129 -6.049 19.219 10.604 1.00 0.00 N ATOM 1900 CA VAL A 129 -4.941 20.138 10.434 1.00 0.00 C ATOM 1901 C VAL A 129 -3.626 19.352 10.417 1.00 0.00 C ATOM 1902 O VAL A 129 -3.441 18.420 11.203 1.00 0.00 O ATOM 1903 CB VAL A 129 -4.912 21.190 11.589 1.00 0.00 C ATOM 1904 CG1 VAL A 129 -3.792 22.201 11.396 1.00 0.00 C ATOM 1905 CG2 VAL A 129 -6.249 21.904 11.710 1.00 0.00 C ATOM 0 H VAL A 129 -6.077 18.773 11.521 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.067 20.667 9.489 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.722 20.647 12.515 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -3.802 22.917 12.218 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.833 21.683 11.378 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.937 22.729 10.453 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -6.201 22.631 12.521 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.473 22.418 10.775 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -7.032 21.176 11.920 1.00 0.00 H new ATOM 1915 N PHE A 130 -2.738 19.714 9.525 1.00 0.00 N ATOM 1916 CA PHE A 130 -1.457 19.048 9.390 1.00 0.00 C ATOM 1917 C PHE A 130 -0.373 19.877 10.026 1.00 0.00 C ATOM 1918 O PHE A 130 -0.308 21.101 9.831 1.00 0.00 O ATOM 1919 CB PHE A 130 -1.113 18.807 7.917 1.00 0.00 C ATOM 1920 CG PHE A 130 -2.030 17.851 7.223 1.00 0.00 C ATOM 1921 CD1 PHE A 130 -3.276 18.258 6.784 1.00 0.00 C ATOM 1922 CD2 PHE A 130 -1.641 16.541 7.009 1.00 0.00 C ATOM 1923 CE1 PHE A 130 -4.117 17.383 6.150 1.00 0.00 C ATOM 1924 CE2 PHE A 130 -2.480 15.658 6.372 1.00 0.00 C ATOM 1925 CZ PHE A 130 -3.719 16.082 5.943 1.00 0.00 C ATOM 0 H PHE A 130 -2.879 20.481 8.868 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.526 18.084 9.894 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -1.134 19.761 7.390 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -0.093 18.428 7.851 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.590 19.279 6.943 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -0.670 16.209 7.345 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.089 17.713 5.814 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -2.170 14.637 6.208 1.00 0.00 H new ATOM 0 HZ PHE A 130 -4.380 15.390 5.442 1.00 0.00 H new ATOM 1935 N LYS A 131 0.475 19.235 10.765 1.00 0.00 N ATOM 1936 CA LYS A 131 1.559 19.886 11.430 1.00 0.00 C ATOM 1937 C LYS A 131 2.857 19.155 11.098 1.00 0.00 C ATOM 1938 O LYS A 131 3.244 18.223 11.826 1.00 0.00 O ATOM 1939 CB LYS A 131 1.315 19.934 12.945 1.00 0.00 C ATOM 1940 CG LYS A 131 0.062 20.703 13.365 1.00 0.00 C ATOM 1941 CD LYS A 131 -0.083 20.777 14.886 1.00 0.00 C ATOM 1942 CE LYS A 131 1.042 21.581 15.513 1.00 0.00 C ATOM 1943 NZ LYS A 131 0.907 21.689 16.973 1.00 0.00 N ATOM 1944 OXT LYS A 131 3.483 19.486 10.056 1.00 0.00 O ATOM 0 H LYS A 131 0.433 18.229 10.926 1.00 0.00 H new ATOM 0 HA LYS A 131 1.636 20.917 11.083 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.241 18.913 13.320 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.182 20.388 13.425 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.102 21.712 12.955 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -0.818 20.221 12.940 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -1.041 21.231 15.140 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.087 19.769 15.302 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.997 21.113 15.273 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.058 22.580 15.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 1.698 22.246 17.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 0.009 22.159 17.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 0.919 20.738 17.394 1.00 0.00 H new