USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 850 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 67 THR OG1 : rot 42:sc= -0.728 USER MOD Set 1.2: A 145 LYS NZ :NH3+ -150:sc= -0.277 (180deg=-2.33) USER MOD Set 1.3: A 146 THR OG1 : rot 180:sc= -0.3 USER MOD Set 2.1: A 81 GLN : amide:sc= -0.337 K(o=-0.36,f=-2.2!) USER MOD Set 2.2: A 122 TYR OH : rot 150:sc= 0.172 USER MOD Set 2.3: A 127 SER OG : rot -170:sc= -0.198 USER MOD Set 3.1: A 111 THR OG1 : rot 180:sc= -0.292 USER MOD Set 3.2: A 143 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 93 CYS SG : rot -68:sc= 0.948 USER MOD Set 4.2: A 97 GLN :FLIP amide:sc= 0.727 F(o=0.061!,f=1.7) USER MOD Set 5.1: A 69 HIS : no HE2:sc= -8.79! C(o=-11!,f=-15!) USER MOD Set 5.2: A 71 GLN :FLIP amide:sc= -2.62! C(o=-17!,f=-11!) USER MOD Set 6.1: A 42 ASN : amide:sc= -3.33! C(o=-2.4!,f=-3.9!) USER MOD Set 6.2: A 120 TYR OH : rot -140:sc= 0.97 USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= 0.101 (180deg=-0.403) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 48:sc= 0.0591 USER MOD Single : A 57 SER OG : rot -28:sc= -1.1! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -143:sc= 0 (180deg=-1.69!) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.298 F(o=-4.5!,f=-0.3) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 73 SER OG : rot 180:sc=-0.00557 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.354 F(o=-1.3,f=-0.35) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -14:sc= -1.74! USER MOD Single : A 106 MET CE :methyl -121:sc= -4.89! (180deg=-8.52!) USER MOD Single : A 113 MET CE :methyl -163:sc= -0.024 (180deg=-0.315) USER MOD Single : A 115 THR OG1 : rot 127:sc= 0.172! USER MOD Single : A 118 SER OG : rot 173:sc= 0.16 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 CYS SG : rot 79:sc= -1.21 USER MOD Single : A 125 GLN : amide:sc= -0.221 X(o=-0.22,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 30:sc= -0.147 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 139 CYS SG : rot 180:sc= -1.49 USER MOD ----------------------------------------------------------------- ATOM 489 N TRP A 36 -7.787 1.929 1.755 1.00 0.53 N ATOM 490 CA TRP A 36 -6.822 3.016 1.853 1.00 0.45 C ATOM 491 C TRP A 36 -6.609 3.640 0.482 1.00 0.46 C ATOM 492 O TRP A 36 -7.321 3.328 -0.475 1.00 0.52 O ATOM 493 CB TRP A 36 -5.473 2.511 2.356 1.00 0.38 C ATOM 494 CG TRP A 36 -5.550 1.499 3.452 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.476 1.423 4.449 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.643 0.417 3.664 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.210 0.347 5.258 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.085 -0.288 4.798 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.504 -0.035 2.997 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.416 -1.411 5.281 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -2.852 -1.139 3.477 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.305 -1.821 4.601 1.00 0.19 C ATOM 0 HA TRP A 36 -7.220 3.749 2.555 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -4.928 2.077 1.518 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -4.891 3.363 2.708 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.299 2.109 4.583 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.760 0.065 6.070 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.143 0.477 2.117 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.763 -1.936 6.159 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -1.965 -1.489 2.971 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.767 -2.693 4.943 1.00 0.19 H new ATOM 513 N LEU A 37 -5.609 4.501 0.384 1.00 0.43 N ATOM 514 CA LEU A 37 -5.232 5.071 -0.893 1.00 0.42 C ATOM 515 C LEU A 37 -4.598 3.994 -1.756 1.00 0.37 C ATOM 516 O LEU A 37 -3.492 3.532 -1.463 1.00 0.35 O ATOM 517 CB LEU A 37 -4.233 6.211 -0.683 1.00 0.45 C ATOM 518 CG LEU A 37 -3.822 6.964 -1.950 1.00 0.46 C ATOM 519 CD1 LEU A 37 -5.005 7.715 -2.541 1.00 0.49 C ATOM 520 CD2 LEU A 37 -2.676 7.917 -1.657 1.00 0.50 C ATOM 0 H LEU A 37 -5.047 4.818 1.174 1.00 0.43 H new ATOM 0 HA LEU A 37 -6.121 5.463 -1.387 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -4.664 6.924 0.020 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -3.336 5.804 -0.215 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.483 6.233 -2.684 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -4.688 8.243 -3.441 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.795 7.008 -2.794 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.381 8.433 -1.812 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.398 8.443 -2.570 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -2.987 8.639 -0.902 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -1.819 7.353 -1.288 1.00 0.50 H new ATOM 532 N ASP A 38 -5.299 3.573 -2.800 1.00 0.38 N ATOM 533 CA ASP A 38 -4.736 2.601 -3.708 1.00 0.41 C ATOM 534 C ASP A 38 -3.768 3.278 -4.648 1.00 0.39 C ATOM 535 O ASP A 38 -4.100 4.270 -5.303 1.00 0.44 O ATOM 536 CB ASP A 38 -5.797 1.844 -4.498 1.00 0.56 C ATOM 537 CG ASP A 38 -5.218 0.589 -5.118 1.00 1.78 C ATOM 538 OD1 ASP A 38 -4.602 0.675 -6.194 1.00 2.14 O ATOM 539 OD2 ASP A 38 -5.377 -0.495 -4.537 1.00 2.51 O ATOM 0 H ASP A 38 -6.242 3.886 -3.031 1.00 0.38 H new ATOM 0 HA ASP A 38 -4.210 1.863 -3.102 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.626 1.581 -3.841 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -6.202 2.487 -5.280 1.00 0.56 H new ATOM 544 N ILE A 39 -2.573 2.728 -4.697 1.00 0.38 N ATOM 545 CA ILE A 39 -1.477 3.282 -5.462 1.00 0.38 C ATOM 546 C ILE A 39 -1.824 3.316 -6.945 1.00 0.39 C ATOM 547 O ILE A 39 -1.393 4.204 -7.681 1.00 0.46 O ATOM 548 CB ILE A 39 -0.204 2.443 -5.228 1.00 0.39 C ATOM 549 CG1 ILE A 39 0.026 2.272 -3.716 1.00 0.40 C ATOM 550 CG2 ILE A 39 1.002 3.069 -5.913 1.00 0.41 C ATOM 551 CD1 ILE A 39 1.452 1.934 -3.335 1.00 0.43 C ATOM 0 H ILE A 39 -2.333 1.871 -4.199 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.296 4.305 -5.131 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.340 1.457 -5.673 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.264 3.193 -3.210 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -0.632 1.485 -3.347 1.00 0.40 H new ATOM 0 HG21 ILE A 39 1.884 2.455 -5.730 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.819 3.131 -6.986 1.00 0.41 H new ATOM 0 HG23 ILE A 39 1.168 4.070 -5.515 1.00 0.41 H new ATOM 0 HD11 ILE A 39 1.525 1.831 -2.252 1.00 0.43 H new ATOM 0 HD12 ILE A 39 1.743 0.996 -3.809 1.00 0.43 H new ATOM 0 HD13 ILE A 39 2.117 2.731 -3.669 1.00 0.43 H new ATOM 563 N LEU A 40 -2.628 2.360 -7.371 1.00 0.39 N ATOM 564 CA LEU A 40 -3.043 2.286 -8.765 1.00 0.49 C ATOM 565 C LEU A 40 -4.544 2.498 -8.887 1.00 0.49 C ATOM 566 O LEU A 40 -5.105 2.471 -9.985 1.00 0.62 O ATOM 567 CB LEU A 40 -2.652 0.935 -9.366 1.00 0.56 C ATOM 568 CG LEU A 40 -1.155 0.611 -9.344 1.00 0.59 C ATOM 569 CD1 LEU A 40 -0.897 -0.697 -10.074 1.00 0.62 C ATOM 570 CD2 LEU A 40 -0.348 1.740 -9.973 1.00 0.72 C ATOM 0 H LEU A 40 -3.008 1.624 -6.776 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.534 3.076 -9.317 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -3.184 0.150 -8.828 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -2.998 0.903 -10.399 1.00 0.56 H new ATOM 0 HG LEU A 40 -0.837 0.506 -8.307 1.00 0.59 H new ATOM 0 HD11 LEU A 40 0.170 -0.921 -10.054 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -1.446 -1.501 -9.584 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -1.230 -0.608 -11.108 1.00 0.62 H new ATOM 0 HD21 LEU A 40 0.712 1.488 -9.946 1.00 0.72 H new ATOM 0 HD22 LEU A 40 -0.662 1.879 -11.007 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.516 2.662 -9.416 1.00 0.72 H new ATOM 582 N GLY A 41 -5.184 2.716 -7.748 1.00 0.43 N ATOM 583 CA GLY A 41 -6.627 2.813 -7.692 1.00 0.51 C ATOM 584 C GLY A 41 -7.290 1.528 -8.150 1.00 0.45 C ATOM 585 O GLY A 41 -8.430 1.537 -8.616 1.00 0.52 O ATOM 0 H GLY A 41 -4.719 2.829 -6.847 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -6.938 3.040 -6.672 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -6.962 3.639 -8.319 1.00 0.51 H new ATOM 589 N ASN A 42 -6.568 0.416 -8.022 1.00 0.39 N ATOM 590 CA ASN A 42 -7.074 -0.872 -8.487 1.00 0.42 C ATOM 591 C ASN A 42 -7.725 -1.672 -7.357 1.00 0.43 C ATOM 592 O ASN A 42 -8.607 -2.498 -7.601 1.00 0.56 O ATOM 593 CB ASN A 42 -5.976 -1.690 -9.206 1.00 0.49 C ATOM 594 CG ASN A 42 -4.925 -2.368 -8.318 1.00 0.55 C ATOM 595 OD1 ASN A 42 -4.433 -3.443 -8.659 1.00 0.95 O ATOM 596 ND2 ASN A 42 -4.535 -1.760 -7.211 1.00 0.44 N ATOM 0 H ASN A 42 -5.638 0.381 -7.604 1.00 0.39 H new ATOM 0 HA ASN A 42 -7.854 -0.662 -9.219 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -6.463 -2.460 -9.804 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -5.458 -1.027 -9.900 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -3.815 -2.182 -6.624 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -4.954 -0.869 -6.944 1.00 0.44 H new ATOM 603 N GLY A 43 -7.299 -1.425 -6.124 1.00 0.40 N ATOM 604 CA GLY A 43 -7.937 -2.051 -4.974 1.00 0.50 C ATOM 605 C GLY A 43 -7.086 -3.156 -4.390 1.00 0.45 C ATOM 606 O GLY A 43 -7.470 -3.809 -3.420 1.00 0.72 O ATOM 0 H GLY A 43 -6.523 -0.803 -5.897 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -8.128 -1.297 -4.210 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -8.904 -2.456 -5.271 1.00 0.50 H new ATOM 610 N LEU A 44 -5.925 -3.358 -4.989 1.00 0.29 N ATOM 611 CA LEU A 44 -5.020 -4.422 -4.590 1.00 0.36 C ATOM 612 C LEU A 44 -3.831 -3.863 -3.822 1.00 0.25 C ATOM 613 O LEU A 44 -3.280 -4.519 -2.945 1.00 0.27 O ATOM 614 CB LEU A 44 -4.501 -5.172 -5.828 1.00 0.60 C ATOM 615 CG LEU A 44 -5.493 -6.107 -6.527 1.00 0.51 C ATOM 616 CD1 LEU A 44 -6.661 -5.347 -7.138 1.00 1.46 C ATOM 617 CD2 LEU A 44 -4.785 -6.918 -7.597 1.00 1.56 C ATOM 0 H LEU A 44 -5.584 -2.790 -5.764 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.574 -5.106 -3.947 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -4.157 -4.435 -6.554 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -3.631 -5.758 -5.532 1.00 0.60 H new ATOM 0 HG LEU A 44 -5.897 -6.778 -5.769 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -7.339 -6.050 -7.623 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -7.195 -4.810 -6.354 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -6.287 -4.636 -7.875 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -5.501 -7.578 -8.086 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -4.349 -6.245 -8.335 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -3.996 -7.514 -7.139 1.00 1.56 H new ATOM 629 N LEU A 45 -3.434 -2.659 -4.191 1.00 0.23 N ATOM 630 CA LEU A 45 -2.192 -2.062 -3.718 1.00 0.22 C ATOM 631 C LEU A 45 -2.441 -0.714 -3.027 1.00 0.22 C ATOM 632 O LEU A 45 -2.629 0.291 -3.694 1.00 0.32 O ATOM 633 CB LEU A 45 -1.266 -1.930 -4.925 1.00 0.30 C ATOM 634 CG LEU A 45 -0.051 -1.022 -4.772 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.834 -1.469 -3.629 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.728 -1.007 -6.066 1.00 0.31 C ATOM 0 H LEU A 45 -3.963 -2.064 -4.829 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.727 -2.694 -2.961 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -0.912 -2.926 -5.191 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -1.856 -1.566 -5.766 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.398 -0.015 -4.541 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.690 -0.800 -3.549 1.00 0.28 H new ATOM 0 HD12 LEU A 45 0.266 -1.445 -2.699 1.00 0.28 H new ATOM 0 HD13 LEU A 45 1.184 -2.485 -3.815 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.598 -0.358 -5.960 1.00 0.31 H new ATOM 0 HD22 LEU A 45 1.057 -2.019 -6.305 1.00 0.31 H new ATOM 0 HD23 LEU A 45 0.093 -0.633 -6.869 1.00 0.31 H new ATOM 648 N ARG A 46 -2.435 -0.690 -1.693 1.00 0.20 N ATOM 649 CA ARG A 46 -2.784 0.531 -0.949 1.00 0.22 C ATOM 650 C ARG A 46 -1.836 0.759 0.226 1.00 0.19 C ATOM 651 O ARG A 46 -1.370 -0.199 0.830 1.00 0.19 O ATOM 652 CB ARG A 46 -4.213 0.411 -0.417 1.00 0.25 C ATOM 653 CG ARG A 46 -5.205 0.034 -1.493 1.00 0.36 C ATOM 654 CD ARG A 46 -6.550 -0.389 -0.929 1.00 0.37 C ATOM 655 NE ARG A 46 -6.427 -1.533 -0.019 1.00 0.54 N ATOM 656 CZ ARG A 46 -7.464 -2.189 0.501 1.00 0.75 C ATOM 657 NH1 ARG A 46 -8.706 -1.831 0.195 1.00 1.14 N ATOM 658 NH2 ARG A 46 -7.256 -3.212 1.320 1.00 0.99 N ATOM 0 H ARG A 46 -2.196 -1.490 -1.107 1.00 0.20 H new ATOM 0 HA ARG A 46 -2.699 1.377 -1.631 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.240 -0.337 0.375 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.511 1.359 0.030 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.347 0.882 -2.163 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -4.794 -0.780 -2.091 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -7.001 0.450 -0.399 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.222 -0.647 -1.748 1.00 0.37 H new ATOM 0 HE ARG A 46 -5.489 -1.846 0.231 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -8.870 -1.050 -0.441 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -9.496 -2.337 0.596 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.304 -3.495 1.551 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -8.048 -3.715 1.719 1.00 0.99 H new ATOM 672 N LYS A 47 -1.586 2.025 0.567 1.00 0.20 N ATOM 673 CA LYS A 47 -0.731 2.367 1.707 1.00 0.17 C ATOM 674 C LYS A 47 -1.550 3.047 2.803 1.00 0.18 C ATOM 675 O LYS A 47 -2.317 3.966 2.523 1.00 0.22 O ATOM 676 CB LYS A 47 0.404 3.314 1.281 1.00 0.23 C ATOM 677 CG LYS A 47 1.462 3.499 2.368 1.00 0.25 C ATOM 678 CD LYS A 47 2.278 4.780 2.213 1.00 0.32 C ATOM 679 CE LYS A 47 1.446 6.036 2.471 1.00 0.20 C ATOM 680 NZ LYS A 47 2.298 7.250 2.681 1.00 0.35 N ATOM 0 H LYS A 47 -1.964 2.831 0.070 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.303 1.439 2.086 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.879 2.923 0.381 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.018 4.285 1.022 1.00 0.23 H new ATOM 0 HG2 LYS A 47 0.973 3.505 3.342 1.00 0.25 H new ATOM 0 HG3 LYS A 47 2.138 2.644 2.355 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.120 4.757 2.905 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.694 4.823 1.206 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.777 6.206 1.627 1.00 0.20 H new ATOM 0 HE3 LYS A 47 0.818 5.879 3.348 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.715 8.021 3.066 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 3.062 7.026 3.350 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 2.709 7.547 1.773 1.00 0.35 H new ATOM 694 N LYS A 48 -1.383 2.595 4.040 1.00 0.16 N ATOM 695 CA LYS A 48 -2.030 3.222 5.187 1.00 0.18 C ATOM 696 C LYS A 48 -0.984 3.806 6.127 1.00 0.17 C ATOM 697 O LYS A 48 -0.030 3.124 6.510 1.00 0.22 O ATOM 698 CB LYS A 48 -2.889 2.214 5.952 1.00 0.25 C ATOM 699 CG LYS A 48 -3.651 2.828 7.119 1.00 0.32 C ATOM 700 CD LYS A 48 -4.375 1.778 7.951 1.00 0.69 C ATOM 701 CE LYS A 48 -3.409 0.774 8.562 1.00 0.52 C ATOM 702 NZ LYS A 48 -4.057 -0.047 9.616 1.00 1.07 N ATOM 0 H LYS A 48 -0.801 1.791 4.276 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.673 4.019 4.813 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.600 1.758 5.263 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.250 1.414 6.326 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -2.957 3.377 7.755 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.374 3.550 6.739 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -4.939 2.269 8.744 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -5.097 1.253 7.325 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -3.021 0.121 7.780 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -2.556 1.303 8.987 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -3.366 -0.718 10.007 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -4.405 0.574 10.375 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -4.855 -0.572 9.205 1.00 1.07 H new ATOM 716 N THR A 49 -1.171 5.060 6.500 1.00 0.18 N ATOM 717 CA THR A 49 -0.244 5.744 7.385 1.00 0.20 C ATOM 718 C THR A 49 -0.518 5.413 8.846 1.00 0.21 C ATOM 719 O THR A 49 -1.514 5.850 9.419 1.00 0.29 O ATOM 720 CB THR A 49 -0.314 7.270 7.183 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.683 7.686 7.049 1.00 0.33 O ATOM 722 CG2 THR A 49 0.473 7.691 5.952 1.00 0.25 C ATOM 0 H THR A 49 -1.963 5.629 6.201 1.00 0.18 H new ATOM 0 HA THR A 49 0.757 5.394 7.131 1.00 0.20 H new ATOM 0 HB THR A 49 0.127 7.750 8.057 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.218 7.284 7.765 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.408 8.772 5.831 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.517 7.401 6.071 1.00 0.25 H new ATOM 0 HG23 THR A 49 0.059 7.202 5.070 1.00 0.25 H new ATOM 730 N LEU A 50 0.362 4.621 9.438 1.00 0.18 N ATOM 731 CA LEU A 50 0.308 4.358 10.869 1.00 0.21 C ATOM 732 C LEU A 50 0.846 5.585 11.574 1.00 0.23 C ATOM 733 O LEU A 50 0.211 6.178 12.444 1.00 0.28 O ATOM 734 CB LEU A 50 1.187 3.161 11.217 1.00 0.21 C ATOM 735 CG LEU A 50 1.160 2.022 10.203 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.322 1.084 10.444 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.158 1.278 10.284 1.00 0.24 C ATOM 0 H LEU A 50 1.123 4.148 8.950 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.715 4.140 11.174 1.00 0.21 H new ATOM 0 HB2 LEU A 50 2.216 3.505 11.327 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.876 2.771 12.186 1.00 0.21 H new ATOM 0 HG LEU A 50 1.256 2.438 9.200 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.293 0.274 9.715 1.00 0.21 H new ATOM 0 HD12 LEU A 50 3.259 1.632 10.342 1.00 0.21 H new ATOM 0 HD13 LEU A 50 2.252 0.669 11.450 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.164 0.468 9.555 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.282 0.866 11.285 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -0.977 1.965 10.070 1.00 0.24 H new ATOM 749 N VAL A 51 2.046 5.932 11.161 1.00 0.23 N ATOM 750 CA VAL A 51 2.699 7.167 11.526 1.00 0.27 C ATOM 751 C VAL A 51 3.125 7.829 10.248 1.00 0.24 C ATOM 752 O VAL A 51 3.783 7.191 9.451 1.00 0.23 O ATOM 753 CB VAL A 51 3.956 6.900 12.358 1.00 0.30 C ATOM 754 CG1 VAL A 51 4.698 8.194 12.667 1.00 0.36 C ATOM 755 CG2 VAL A 51 3.599 6.165 13.633 1.00 0.36 C ATOM 0 H VAL A 51 2.608 5.345 10.545 1.00 0.23 H new ATOM 0 HA VAL A 51 2.017 7.782 12.112 1.00 0.27 H new ATOM 0 HB VAL A 51 4.623 6.269 11.771 1.00 0.30 H new ATOM 0 HG11 VAL A 51 5.586 7.972 13.259 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.994 8.675 11.735 1.00 0.36 H new ATOM 0 HG13 VAL A 51 4.045 8.862 13.229 1.00 0.36 H new ATOM 0 HG21 VAL A 51 4.503 5.983 14.213 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.907 6.769 14.220 1.00 0.36 H new ATOM 0 HG23 VAL A 51 3.129 5.213 13.385 1.00 0.36 H new ATOM 765 N PRO A 52 2.724 9.066 10.003 1.00 0.29 N ATOM 766 CA PRO A 52 3.075 9.782 8.796 1.00 0.32 C ATOM 767 C PRO A 52 4.030 10.965 9.019 1.00 0.34 C ATOM 768 O PRO A 52 3.588 12.092 9.235 1.00 0.54 O ATOM 769 CB PRO A 52 1.684 10.257 8.395 1.00 0.41 C ATOM 770 CG PRO A 52 0.998 10.570 9.706 1.00 0.46 C ATOM 771 CD PRO A 52 1.769 9.844 10.789 1.00 0.37 C ATOM 0 HA PRO A 52 3.620 9.184 8.066 1.00 0.32 H new ATOM 0 HB2 PRO A 52 1.735 11.137 7.754 1.00 0.41 H new ATOM 0 HB3 PRO A 52 1.147 9.488 7.840 1.00 0.41 H new ATOM 0 HG2 PRO A 52 0.990 11.644 9.891 1.00 0.46 H new ATOM 0 HG3 PRO A 52 -0.041 10.242 9.686 1.00 0.46 H new ATOM 0 HD2 PRO A 52 2.266 10.535 11.470 1.00 0.37 H new ATOM 0 HD3 PRO A 52 1.123 9.208 11.395 1.00 0.37 H new ATOM 779 N GLY A 53 5.335 10.689 8.981 1.00 0.24 N ATOM 780 CA GLY A 53 6.349 11.737 9.065 1.00 0.28 C ATOM 781 C GLY A 53 6.140 12.692 10.238 1.00 0.29 C ATOM 782 O GLY A 53 5.700 13.824 10.044 1.00 0.55 O ATOM 0 H GLY A 53 5.713 9.746 8.892 1.00 0.24 H new ATOM 0 HA2 GLY A 53 7.332 11.275 9.154 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.348 12.308 8.137 1.00 0.28 H new ATOM 821 N SER A 57 8.238 15.676 7.320 1.00 0.52 N ATOM 822 CA SER A 57 8.962 14.778 6.458 1.00 0.40 C ATOM 823 C SER A 57 9.077 15.288 5.026 1.00 0.34 C ATOM 824 O SER A 57 8.725 16.428 4.715 1.00 0.43 O ATOM 825 CB SER A 57 8.228 13.457 6.469 1.00 0.40 C ATOM 826 OG SER A 57 6.829 13.671 6.543 1.00 0.99 O ATOM 0 HA SER A 57 9.982 14.684 6.831 1.00 0.40 H new ATOM 0 HB2 SER A 57 8.469 12.892 5.569 1.00 0.40 H new ATOM 0 HB3 SER A 57 8.556 12.858 7.318 1.00 0.40 H new ATOM 0 HG SER A 57 6.651 14.517 7.005 1.00 0.99 H new ATOM 832 N SER A 58 9.586 14.414 4.173 1.00 0.28 N ATOM 833 CA SER A 58 9.692 14.658 2.747 1.00 0.30 C ATOM 834 C SER A 58 9.585 13.311 2.043 1.00 0.27 C ATOM 835 O SER A 58 10.068 12.313 2.569 1.00 0.38 O ATOM 836 CB SER A 58 11.032 15.321 2.428 1.00 0.38 C ATOM 837 OG SER A 58 11.100 15.733 1.072 1.00 1.28 O ATOM 0 H SER A 58 9.942 13.502 4.458 1.00 0.28 H new ATOM 0 HA SER A 58 8.900 15.326 2.410 1.00 0.30 H new ATOM 0 HB2 SER A 58 11.176 16.183 3.079 1.00 0.38 H new ATOM 0 HB3 SER A 58 11.843 14.624 2.638 1.00 0.38 H new ATOM 0 HG SER A 58 11.968 16.154 0.901 1.00 1.28 H new ATOM 843 N ARG A 59 8.954 13.261 0.884 1.00 0.32 N ATOM 844 CA ARG A 59 8.760 11.989 0.203 1.00 0.30 C ATOM 845 C ARG A 59 9.912 11.710 -0.750 1.00 0.27 C ATOM 846 O ARG A 59 10.131 12.459 -1.702 1.00 0.34 O ATOM 847 CB ARG A 59 7.430 11.980 -0.554 1.00 0.42 C ATOM 848 CG ARG A 59 6.248 12.395 0.309 1.00 0.64 C ATOM 849 CD ARG A 59 5.045 11.484 0.120 1.00 0.68 C ATOM 850 NE ARG A 59 4.621 11.389 -1.277 1.00 1.41 N ATOM 851 CZ ARG A 59 3.432 11.797 -1.726 1.00 1.81 C ATOM 852 NH1 ARG A 59 2.567 12.388 -0.905 1.00 1.78 N ATOM 853 NH2 ARG A 59 3.111 11.625 -3.004 1.00 2.81 N ATOM 0 H ARG A 59 8.571 14.072 0.398 1.00 0.32 H new ATOM 0 HA ARG A 59 8.735 11.201 0.956 1.00 0.30 H new ATOM 0 HB2 ARG A 59 7.501 12.652 -1.409 1.00 0.42 H new ATOM 0 HB3 ARG A 59 7.250 10.980 -0.949 1.00 0.42 H new ATOM 0 HG2 ARG A 59 6.546 12.386 1.357 1.00 0.64 H new ATOM 0 HG3 ARG A 59 5.966 13.420 0.066 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.287 10.488 0.490 1.00 0.68 H new ATOM 0 HD3 ARG A 59 4.216 11.855 0.722 1.00 0.68 H new ATOM 0 HE ARG A 59 5.274 10.986 -1.949 1.00 1.41 H new ATOM 0 HH11 ARG A 59 2.811 12.532 0.075 1.00 1.78 H new ATOM 0 HH12 ARG A 59 1.660 12.697 -1.256 1.00 1.78 H new ATOM 0 HH21 ARG A 59 3.773 11.182 -3.641 1.00 2.81 H new ATOM 0 HH22 ARG A 59 2.203 11.936 -3.348 1.00 2.81 H new ATOM 867 N PRO A 60 10.692 10.648 -0.478 1.00 0.23 N ATOM 868 CA PRO A 60 11.810 10.237 -1.336 1.00 0.26 C ATOM 869 C PRO A 60 11.429 10.090 -2.809 1.00 0.26 C ATOM 870 O PRO A 60 10.359 9.583 -3.151 1.00 0.28 O ATOM 871 CB PRO A 60 12.221 8.870 -0.771 1.00 0.30 C ATOM 872 CG PRO A 60 11.123 8.478 0.155 1.00 0.28 C ATOM 873 CD PRO A 60 10.582 9.765 0.694 1.00 0.21 C ATOM 0 HA PRO A 60 12.600 10.988 -1.324 1.00 0.26 H new ATOM 0 HB2 PRO A 60 12.343 8.136 -1.568 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.174 8.932 -0.246 1.00 0.30 H new ATOM 0 HG2 PRO A 60 10.350 7.915 -0.368 1.00 0.28 H new ATOM 0 HG3 PRO A 60 11.494 7.841 0.958 1.00 0.28 H new ATOM 0 HD2 PRO A 60 9.552 9.665 1.036 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.164 10.132 1.539 1.00 0.21 H new ATOM 881 N VAL A 61 12.328 10.526 -3.677 1.00 0.29 N ATOM 882 CA VAL A 61 12.128 10.417 -5.113 1.00 0.31 C ATOM 883 C VAL A 61 12.712 9.097 -5.620 1.00 0.28 C ATOM 884 O VAL A 61 13.581 8.505 -4.978 1.00 0.27 O ATOM 885 CB VAL A 61 12.789 11.606 -5.857 1.00 0.40 C ATOM 886 CG1 VAL A 61 12.419 11.618 -7.336 1.00 0.81 C ATOM 887 CG2 VAL A 61 12.402 12.925 -5.197 1.00 0.88 C ATOM 0 H VAL A 61 13.210 10.962 -3.409 1.00 0.29 H new ATOM 0 HA VAL A 61 11.057 10.441 -5.313 1.00 0.31 H new ATOM 0 HB VAL A 61 13.870 11.482 -5.790 1.00 0.40 H new ATOM 0 HG11 VAL A 61 12.900 12.465 -7.825 1.00 0.81 H new ATOM 0 HG12 VAL A 61 12.754 10.692 -7.802 1.00 0.81 H new ATOM 0 HG13 VAL A 61 11.338 11.706 -7.440 1.00 0.81 H new ATOM 0 HG21 VAL A 61 12.873 13.751 -5.730 1.00 0.88 H new ATOM 0 HG22 VAL A 61 11.319 13.044 -5.229 1.00 0.88 H new ATOM 0 HG23 VAL A 61 12.737 12.925 -4.160 1.00 0.88 H new ATOM 897 N LYS A 62 12.226 8.625 -6.757 1.00 0.27 N ATOM 898 CA LYS A 62 12.726 7.393 -7.342 1.00 0.27 C ATOM 899 C LYS A 62 14.171 7.564 -7.783 1.00 0.25 C ATOM 900 O LYS A 62 14.467 8.259 -8.754 1.00 0.31 O ATOM 901 CB LYS A 62 11.853 6.935 -8.508 1.00 0.30 C ATOM 902 CG LYS A 62 10.523 6.360 -8.067 1.00 0.37 C ATOM 903 CD LYS A 62 9.863 5.612 -9.203 1.00 0.41 C ATOM 904 CE LYS A 62 8.564 4.962 -8.769 1.00 0.60 C ATOM 905 NZ LYS A 62 8.010 4.094 -9.837 1.00 1.17 N ATOM 0 H LYS A 62 11.485 9.077 -7.293 1.00 0.27 H new ATOM 0 HA LYS A 62 12.686 6.617 -6.577 1.00 0.27 H new ATOM 0 HB2 LYS A 62 11.674 7.780 -9.173 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.393 6.184 -9.085 1.00 0.30 H new ATOM 0 HG2 LYS A 62 10.673 5.689 -7.221 1.00 0.37 H new ATOM 0 HG3 LYS A 62 9.869 7.162 -7.725 1.00 0.37 H new ATOM 0 HD2 LYS A 62 9.668 6.299 -10.026 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.544 4.848 -9.579 1.00 0.41 H new ATOM 0 HE2 LYS A 62 8.734 4.371 -7.869 1.00 0.60 H new ATOM 0 HE3 LYS A 62 7.838 5.733 -8.511 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 6.973 4.168 -9.842 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 8.383 4.397 -10.759 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 8.285 3.107 -9.660 1.00 1.17 H new ATOM 919 N GLY A 63 15.063 6.937 -7.040 1.00 0.25 N ATOM 920 CA GLY A 63 16.471 7.072 -7.287 1.00 0.27 C ATOM 921 C GLY A 63 17.227 7.167 -5.991 1.00 0.30 C ATOM 922 O GLY A 63 18.397 6.800 -5.914 1.00 0.42 O ATOM 0 H GLY A 63 14.827 6.327 -6.257 1.00 0.25 H new ATOM 0 HA2 GLY A 63 16.829 6.218 -7.862 1.00 0.27 H new ATOM 0 HA3 GLY A 63 16.657 7.961 -7.889 1.00 0.27 H new ATOM 926 N GLN A 64 16.556 7.663 -4.960 1.00 0.26 N ATOM 927 CA GLN A 64 17.187 7.764 -3.655 1.00 0.28 C ATOM 928 C GLN A 64 17.279 6.381 -3.028 1.00 0.24 C ATOM 929 O GLN A 64 16.358 5.572 -3.151 1.00 0.24 O ATOM 930 CB GLN A 64 16.423 8.698 -2.706 1.00 0.30 C ATOM 931 CG GLN A 64 15.645 9.830 -3.372 1.00 0.36 C ATOM 932 CD GLN A 64 16.488 10.874 -4.093 1.00 0.44 C ATOM 933 OE1 GLN A 64 17.586 10.468 -4.705 1.00 0.59 O flip ATOM 934 NE2 GLN A 64 16.110 12.046 -4.133 1.00 0.43 N flip ATOM 0 H GLN A 64 15.593 7.996 -5.001 1.00 0.26 H new ATOM 0 HA GLN A 64 18.181 8.186 -3.806 1.00 0.28 H new ATOM 0 HB2 GLN A 64 15.726 8.099 -2.120 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.135 9.135 -2.005 1.00 0.30 H new ATOM 0 HG2 GLN A 64 14.947 9.395 -4.088 1.00 0.36 H new ATOM 0 HG3 GLN A 64 15.048 10.333 -2.611 1.00 0.36 H new ATOM 0 HE21 GLN A 64 15.257 12.323 -3.648 1.00 0.43 H new ATOM 0 HE22 GLN A 64 16.650 12.739 -4.651 1.00 0.43 H new ATOM 943 N VAL A 65 18.392 6.109 -2.376 1.00 0.28 N ATOM 944 CA VAL A 65 18.555 4.872 -1.642 1.00 0.31 C ATOM 945 C VAL A 65 17.983 5.050 -0.243 1.00 0.25 C ATOM 946 O VAL A 65 18.356 5.974 0.477 1.00 0.32 O ATOM 947 CB VAL A 65 20.037 4.448 -1.582 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.233 3.270 -0.649 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.548 4.105 -2.973 1.00 1.05 C ATOM 0 H VAL A 65 19.199 6.731 -2.340 1.00 0.28 H new ATOM 0 HA VAL A 65 18.016 4.077 -2.157 1.00 0.31 H new ATOM 0 HB VAL A 65 20.610 5.289 -1.192 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.287 2.994 -0.628 1.00 1.22 H new ATOM 0 HG12 VAL A 65 19.909 3.543 0.355 1.00 1.22 H new ATOM 0 HG13 VAL A 65 19.644 2.424 -1.003 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.595 3.808 -2.913 1.00 1.05 H new ATOM 0 HG22 VAL A 65 19.961 3.284 -3.384 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.455 4.977 -3.620 1.00 1.05 H new ATOM 959 N VAL A 66 17.056 4.190 0.128 1.00 0.19 N ATOM 960 CA VAL A 66 16.306 4.379 1.355 1.00 0.15 C ATOM 961 C VAL A 66 16.333 3.146 2.243 1.00 0.16 C ATOM 962 O VAL A 66 16.382 2.018 1.755 1.00 0.21 O ATOM 963 CB VAL A 66 14.840 4.754 1.062 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.755 6.063 0.294 1.00 0.18 C ATOM 965 CG2 VAL A 66 14.143 3.650 0.286 1.00 0.25 C ATOM 0 H VAL A 66 16.804 3.355 -0.401 1.00 0.19 H new ATOM 0 HA VAL A 66 16.794 5.197 1.884 1.00 0.15 H new ATOM 0 HB VAL A 66 14.334 4.880 2.019 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.710 6.304 0.100 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.208 6.860 0.883 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.286 5.964 -0.653 1.00 0.18 H new ATOM 0 HG21 VAL A 66 13.110 3.938 0.092 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.659 3.489 -0.660 1.00 0.25 H new ATOM 0 HG23 VAL A 66 14.159 2.729 0.869 1.00 0.25 H new ATOM 975 N THR A 67 16.316 3.376 3.551 1.00 0.13 N ATOM 976 CA THR A 67 16.207 2.298 4.519 1.00 0.15 C ATOM 977 C THR A 67 14.764 2.129 4.946 1.00 0.16 C ATOM 978 O THR A 67 14.191 3.006 5.601 1.00 0.21 O ATOM 979 CB THR A 67 17.035 2.537 5.802 1.00 0.20 C ATOM 980 OG1 THR A 67 16.690 3.791 6.394 1.00 0.29 O ATOM 981 CG2 THR A 67 18.522 2.497 5.540 1.00 0.27 C ATOM 0 H THR A 67 16.377 4.306 3.964 1.00 0.13 H new ATOM 0 HA THR A 67 16.593 1.412 4.016 1.00 0.15 H new ATOM 0 HB THR A 67 16.793 1.726 6.489 1.00 0.20 H new ATOM 0 HG1 THR A 67 15.718 3.913 6.359 1.00 0.29 H new ATOM 0 HG21 THR A 67 19.060 2.670 6.472 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.795 1.521 5.139 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.785 3.271 4.819 1.00 0.27 H new ATOM 989 N VAL A 68 14.175 1.010 4.603 1.00 0.15 N ATOM 990 CA VAL A 68 12.865 0.699 5.112 1.00 0.15 C ATOM 991 C VAL A 68 12.954 -0.455 6.084 1.00 0.15 C ATOM 992 O VAL A 68 13.741 -1.363 5.905 1.00 0.17 O ATOM 993 CB VAL A 68 11.845 0.358 4.005 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.561 1.578 3.146 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.332 -0.793 3.141 1.00 0.19 C ATOM 0 H VAL A 68 14.577 0.308 3.981 1.00 0.15 H new ATOM 0 HA VAL A 68 12.505 1.598 5.612 1.00 0.15 H new ATOM 0 HB VAL A 68 10.920 0.048 4.491 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.840 1.318 2.371 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.153 2.374 3.769 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.486 1.919 2.681 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.591 -1.009 2.371 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.276 -0.520 2.670 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.478 -1.677 3.761 1.00 0.19 H new ATOM 1005 N HIS A 69 12.176 -0.396 7.135 1.00 0.14 N ATOM 1006 CA HIS A 69 12.049 -1.539 8.010 1.00 0.15 C ATOM 1007 C HIS A 69 10.748 -2.194 7.648 1.00 0.14 C ATOM 1008 O HIS A 69 9.693 -1.633 7.894 1.00 0.15 O ATOM 1009 CB HIS A 69 12.043 -1.154 9.512 1.00 0.15 C ATOM 1010 CG HIS A 69 11.730 -2.327 10.423 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.136 -2.441 11.734 1.00 0.19 N ATOM 1012 CD2 HIS A 69 11.021 -3.446 10.173 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.679 -3.589 12.225 1.00 0.18 C ATOM 1014 NE2 HIS A 69 11.010 -4.205 11.296 1.00 0.18 N ATOM 0 H HIS A 69 11.626 0.419 7.406 1.00 0.14 H new ATOM 0 HA HIS A 69 12.906 -2.199 7.876 1.00 0.15 H new ATOM 0 HB2 HIS A 69 13.016 -0.742 9.780 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.308 -0.367 9.677 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.695 -1.757 12.244 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.543 -3.695 9.237 1.00 0.18 H new ATOM 0 HE1 HIS A 69 11.838 -3.950 13.230 1.00 0.18 H new ATOM 1023 N LEU A 70 10.813 -3.380 7.088 1.00 0.15 N ATOM 1024 CA LEU A 70 9.600 -4.046 6.716 1.00 0.16 C ATOM 1025 C LEU A 70 9.454 -5.355 7.447 1.00 0.15 C ATOM 1026 O LEU A 70 10.392 -6.127 7.601 1.00 0.21 O ATOM 1027 CB LEU A 70 9.480 -4.249 5.204 1.00 0.21 C ATOM 1028 CG LEU A 70 9.908 -5.605 4.661 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.421 -5.763 3.231 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.417 -5.765 4.719 1.00 0.38 C ATOM 0 H LEU A 70 11.674 -3.888 6.886 1.00 0.15 H new ATOM 0 HA LEU A 70 8.781 -3.391 7.013 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.441 -4.081 4.919 1.00 0.21 H new ATOM 0 HB3 LEU A 70 10.075 -3.481 4.709 1.00 0.21 H new ATOM 0 HG LEU A 70 9.462 -6.381 5.283 1.00 0.31 H new ATOM 0 HD11 LEU A 70 9.730 -6.735 2.847 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.334 -5.692 3.207 1.00 0.39 H new ATOM 0 HD13 LEU A 70 9.850 -4.975 2.612 1.00 0.39 H new ATOM 0 HD21 LEU A 70 11.695 -6.743 4.325 1.00 0.38 H new ATOM 0 HD22 LEU A 70 11.889 -4.985 4.121 1.00 0.38 H new ATOM 0 HD23 LEU A 70 11.752 -5.682 5.753 1.00 0.38 H new ATOM 1042 N GLN A 71 8.273 -5.542 7.955 1.00 0.13 N ATOM 1043 CA GLN A 71 7.847 -6.816 8.466 1.00 0.14 C ATOM 1044 C GLN A 71 6.533 -7.079 7.809 1.00 0.14 C ATOM 1045 O GLN A 71 5.559 -6.354 8.027 1.00 0.14 O ATOM 1046 CB GLN A 71 7.672 -6.833 9.980 1.00 0.15 C ATOM 1047 CG GLN A 71 8.527 -5.829 10.724 1.00 0.15 C ATOM 1048 CD GLN A 71 7.841 -4.500 10.928 1.00 0.16 C ATOM 1049 OE1 GLN A 71 6.905 -4.183 10.065 1.00 0.27 O flip ATOM 1050 NE2 GLN A 71 8.140 -3.778 11.875 1.00 0.18 N flip ATOM 0 H GLN A 71 7.568 -4.808 8.028 1.00 0.13 H new ATOM 0 HA GLN A 71 8.603 -7.572 8.252 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.625 -6.643 10.214 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.904 -7.832 10.348 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.800 -6.243 11.695 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.454 -5.671 10.173 1.00 0.15 H new ATOM 0 HE21 GLN A 71 8.875 -4.064 12.522 1.00 0.18 H new ATOM 0 HE22 GLN A 71 7.654 -2.892 12.015 1.00 0.18 H new ATOM 1059 N THR A 72 6.526 -8.082 6.998 1.00 0.15 N ATOM 1060 CA THR A 72 5.453 -8.295 6.081 1.00 0.16 C ATOM 1061 C THR A 72 4.575 -9.440 6.522 1.00 0.16 C ATOM 1062 O THR A 72 5.055 -10.542 6.780 1.00 0.17 O ATOM 1063 CB THR A 72 6.019 -8.566 4.693 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.854 -7.470 4.290 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.903 -8.757 3.700 1.00 0.19 C ATOM 0 H THR A 72 7.267 -8.782 6.950 1.00 0.15 H new ATOM 0 HA THR A 72 4.836 -7.397 6.054 1.00 0.16 H new ATOM 0 HB THR A 72 6.614 -9.479 4.725 1.00 0.17 H new ATOM 0 HG1 THR A 72 7.218 -7.647 3.398 1.00 0.19 H new ATOM 0 HG21 THR A 72 5.323 -8.950 2.713 1.00 0.19 H new ATOM 0 HG22 THR A 72 4.287 -9.603 4.004 1.00 0.19 H new ATOM 0 HG23 THR A 72 4.290 -7.856 3.664 1.00 0.19 H new ATOM 1073 N SER A 73 3.296 -9.163 6.616 1.00 0.17 N ATOM 1074 CA SER A 73 2.334 -10.137 7.050 1.00 0.17 C ATOM 1075 C SER A 73 1.509 -10.599 5.862 1.00 0.15 C ATOM 1076 O SER A 73 1.415 -9.911 4.848 1.00 0.26 O ATOM 1077 CB SER A 73 1.430 -9.508 8.112 1.00 0.23 C ATOM 1078 OG SER A 73 0.707 -10.482 8.834 1.00 1.06 O ATOM 0 H SER A 73 2.896 -8.252 6.392 1.00 0.17 H new ATOM 0 HA SER A 73 2.844 -10.999 7.479 1.00 0.17 H new ATOM 0 HB2 SER A 73 2.036 -8.920 8.802 1.00 0.23 H new ATOM 0 HB3 SER A 73 0.733 -8.820 7.634 1.00 0.23 H new ATOM 0 HG SER A 73 0.143 -10.041 9.503 1.00 1.06 H new ATOM 1084 N LEU A 74 0.939 -11.772 5.990 1.00 0.19 N ATOM 1085 CA LEU A 74 0.076 -12.318 4.971 1.00 0.18 C ATOM 1086 C LEU A 74 -1.344 -11.838 5.162 1.00 0.19 C ATOM 1087 O LEU A 74 -1.688 -11.278 6.205 1.00 0.21 O ATOM 1088 CB LEU A 74 0.104 -13.840 5.003 1.00 0.22 C ATOM 1089 CG LEU A 74 1.400 -14.483 4.520 1.00 0.38 C ATOM 1090 CD1 LEU A 74 1.153 -15.911 4.068 1.00 0.84 C ATOM 1091 CD2 LEU A 74 2.037 -13.666 3.407 1.00 0.72 C ATOM 0 H LEU A 74 1.060 -12.375 6.803 1.00 0.19 H new ATOM 0 HA LEU A 74 0.442 -11.974 4.004 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -0.085 -14.168 6.025 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.717 -14.214 4.391 1.00 0.22 H new ATOM 0 HG LEU A 74 2.097 -14.504 5.358 1.00 0.38 H new ATOM 0 HD11 LEU A 74 2.090 -16.352 3.727 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.760 -16.493 4.901 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.432 -15.914 3.251 1.00 0.84 H new ATOM 0 HD21 LEU A 74 2.959 -14.149 3.083 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.348 -13.598 2.565 1.00 0.72 H new ATOM 0 HD23 LEU A 74 2.262 -12.664 3.774 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.151 -12.060 4.144 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.585 -11.813 4.195 1.00 0.26 C ATOM 1105 C GLU A 75 -4.223 -12.472 5.427 1.00 0.32 C ATOM 1106 O GLU A 75 -5.272 -12.039 5.905 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.246 -12.364 2.922 1.00 0.30 C ATOM 1108 CG GLU A 75 -3.984 -13.851 2.662 1.00 0.34 C ATOM 1109 CD GLU A 75 -2.563 -14.151 2.209 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -1.886 -13.228 1.713 1.00 1.14 O ATOM 1111 OE2 GLU A 75 -2.134 -15.312 2.327 1.00 0.82 O ATOM 0 H GLU A 75 -1.829 -12.421 3.246 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.742 -10.737 4.264 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.322 -12.204 2.988 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -3.891 -11.790 2.066 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -4.192 -14.412 3.573 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.681 -14.206 1.903 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.577 -13.523 5.928 1.00 0.34 N ATOM 1119 CA ASN A 76 -4.082 -14.278 7.071 1.00 0.41 C ATOM 1120 C ASN A 76 -3.494 -13.763 8.381 1.00 0.39 C ATOM 1121 O ASN A 76 -3.938 -14.148 9.461 1.00 0.51 O ATOM 1122 CB ASN A 76 -3.745 -15.766 6.922 1.00 0.50 C ATOM 1123 CG ASN A 76 -4.142 -16.324 5.570 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -3.195 -16.330 4.645 1.00 2.14 O flip ATOM 1125 ND2 ASN A 76 -5.278 -16.755 5.366 1.00 1.13 N flip ATOM 0 H ASN A 76 -2.694 -13.873 5.555 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.164 -14.146 7.095 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -2.674 -15.908 7.069 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -4.252 -16.329 7.706 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -5.975 -16.729 6.111 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -5.522 -17.138 4.452 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.494 -12.895 8.289 1.00 0.30 N ATOM 1133 CA GLY A 77 -1.855 -12.383 9.488 1.00 0.32 C ATOM 1134 C GLY A 77 -0.567 -13.112 9.815 1.00 0.32 C ATOM 1135 O GLY A 77 -0.095 -13.082 10.951 1.00 0.51 O ATOM 0 H GLY A 77 -2.115 -12.538 7.412 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -1.645 -11.321 9.359 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.543 -12.472 10.329 1.00 0.32 H new ATOM 1139 N THR A 78 -0.001 -13.772 8.821 1.00 0.28 N ATOM 1140 CA THR A 78 1.263 -14.464 9.001 1.00 0.28 C ATOM 1141 C THR A 78 2.421 -13.597 8.538 1.00 0.23 C ATOM 1142 O THR A 78 2.587 -13.361 7.347 1.00 0.21 O ATOM 1143 CB THR A 78 1.285 -15.792 8.214 1.00 0.34 C ATOM 1144 OG1 THR A 78 0.081 -16.533 8.460 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.491 -16.640 8.597 1.00 0.39 C ATOM 0 H THR A 78 -0.395 -13.844 7.883 1.00 0.28 H new ATOM 0 HA THR A 78 1.369 -14.676 10.065 1.00 0.28 H new ATOM 0 HB THR A 78 1.355 -15.550 7.154 1.00 0.34 H new ATOM 0 HG1 THR A 78 0.105 -17.372 7.955 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.479 -17.569 8.026 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.407 -16.091 8.377 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.452 -16.868 9.662 1.00 0.39 H new ATOM 1153 N ARG A 79 3.216 -13.118 9.480 1.00 0.24 N ATOM 1154 CA ARG A 79 4.378 -12.327 9.134 1.00 0.22 C ATOM 1155 C ARG A 79 5.480 -13.225 8.617 1.00 0.24 C ATOM 1156 O ARG A 79 6.080 -14.004 9.356 1.00 0.33 O ATOM 1157 CB ARG A 79 4.837 -11.480 10.312 1.00 0.25 C ATOM 1158 CG ARG A 79 3.863 -10.358 10.610 1.00 0.25 C ATOM 1159 CD ARG A 79 4.593 -9.079 10.976 1.00 0.28 C ATOM 1160 NE ARG A 79 3.687 -7.929 11.089 1.00 0.33 N ATOM 1161 CZ ARG A 79 4.047 -6.733 11.568 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.253 -6.556 12.091 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.181 -5.726 11.566 1.00 0.47 N ATOM 0 H ARG A 79 3.078 -13.263 10.480 1.00 0.24 H new ATOM 0 HA ARG A 79 4.108 -11.634 8.337 1.00 0.22 H new ATOM 0 HB2 ARG A 79 4.945 -12.112 11.194 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.820 -11.061 10.098 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.230 -10.182 9.740 1.00 0.25 H new ATOM 0 HG3 ARG A 79 3.206 -10.651 11.429 1.00 0.25 H new ATOM 0 HD2 ARG A 79 5.116 -9.220 11.922 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.351 -8.868 10.222 1.00 0.28 H new ATOM 0 HE ARG A 79 2.722 -8.050 10.783 1.00 0.33 H new ATOM 0 HH11 ARG A 79 5.911 -7.334 12.129 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.522 -5.642 12.455 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.239 -5.864 11.199 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.457 -4.815 11.932 1.00 0.47 H new ATOM 1177 N VAL A 80 5.722 -13.101 7.330 1.00 0.20 N ATOM 1178 CA VAL A 80 6.577 -14.014 6.608 1.00 0.22 C ATOM 1179 C VAL A 80 7.999 -13.495 6.507 1.00 0.21 C ATOM 1180 O VAL A 80 8.897 -14.201 6.054 1.00 0.27 O ATOM 1181 CB VAL A 80 6.022 -14.261 5.198 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.701 -15.001 5.285 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.858 -12.948 4.439 1.00 0.22 C ATOM 0 H VAL A 80 5.328 -12.358 6.753 1.00 0.20 H new ATOM 0 HA VAL A 80 6.596 -14.950 7.166 1.00 0.22 H new ATOM 0 HB VAL A 80 6.733 -14.876 4.647 1.00 0.23 H new ATOM 0 HG11 VAL A 80 4.313 -15.173 4.281 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.852 -15.958 5.784 1.00 0.26 H new ATOM 0 HG13 VAL A 80 3.987 -14.405 5.853 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.463 -13.150 3.443 1.00 0.22 H new ATOM 0 HG22 VAL A 80 5.167 -12.300 4.978 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.826 -12.454 4.352 1.00 0.22 H new ATOM 1193 N GLN A 81 8.190 -12.253 6.909 1.00 0.18 N ATOM 1194 CA GLN A 81 9.494 -11.625 6.844 1.00 0.19 C ATOM 1195 C GLN A 81 9.538 -10.443 7.796 1.00 0.19 C ATOM 1196 O GLN A 81 8.512 -9.805 8.040 1.00 0.26 O ATOM 1197 CB GLN A 81 9.797 -11.178 5.408 1.00 0.23 C ATOM 1198 CG GLN A 81 8.755 -10.237 4.821 1.00 0.23 C ATOM 1199 CD GLN A 81 9.050 -9.854 3.391 1.00 0.37 C ATOM 1200 OE1 GLN A 81 9.757 -8.888 3.124 1.00 0.59 O ATOM 1201 NE2 GLN A 81 8.476 -10.596 2.462 1.00 0.50 N ATOM 0 H GLN A 81 7.453 -11.657 7.286 1.00 0.18 H new ATOM 0 HA GLN A 81 10.256 -12.345 7.143 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.769 -10.685 5.389 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.875 -12.060 4.772 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.775 -10.712 4.870 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.703 -9.335 5.430 1.00 0.23 H new ATOM 0 HE21 GLN A 81 7.896 -11.391 2.731 1.00 0.50 H new ATOM 0 HE22 GLN A 81 8.613 -10.375 1.476 1.00 0.50 H new ATOM 1210 N GLU A 82 10.710 -10.167 8.343 1.00 0.24 N ATOM 1211 CA GLU A 82 10.882 -9.045 9.251 1.00 0.24 C ATOM 1212 C GLU A 82 12.315 -8.544 9.199 1.00 0.25 C ATOM 1213 O GLU A 82 13.229 -9.176 9.729 1.00 0.41 O ATOM 1214 CB GLU A 82 10.506 -9.435 10.686 1.00 0.35 C ATOM 1215 CG GLU A 82 10.749 -8.323 11.694 1.00 0.44 C ATOM 1216 CD GLU A 82 10.140 -8.608 13.048 1.00 0.82 C ATOM 1217 OE1 GLU A 82 8.914 -8.431 13.209 1.00 1.34 O ATOM 1218 OE2 GLU A 82 10.888 -9.022 13.955 1.00 1.21 O ATOM 0 H GLU A 82 11.559 -10.706 8.173 1.00 0.24 H new ATOM 0 HA GLU A 82 10.215 -8.244 8.933 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.454 -9.718 10.714 1.00 0.35 H new ATOM 0 HB3 GLU A 82 11.081 -10.314 10.979 1.00 0.35 H new ATOM 0 HG2 GLU A 82 11.822 -8.173 11.809 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.337 -7.392 11.305 1.00 0.44 H new ATOM 1225 N GLU A 83 12.500 -7.406 8.559 1.00 0.22 N ATOM 1226 CA GLU A 83 13.823 -6.841 8.384 1.00 0.26 C ATOM 1227 C GLU A 83 13.860 -5.423 8.926 1.00 0.23 C ATOM 1228 O GLU A 83 13.158 -4.542 8.426 1.00 0.24 O ATOM 1229 CB GLU A 83 14.196 -6.818 6.899 1.00 0.39 C ATOM 1230 CG GLU A 83 13.728 -8.034 6.112 1.00 1.20 C ATOM 1231 CD GLU A 83 14.341 -9.336 6.600 1.00 1.73 C ATOM 1232 OE1 GLU A 83 15.581 -9.409 6.718 1.00 1.69 O ATOM 1233 OE2 GLU A 83 13.578 -10.293 6.862 1.00 2.59 O ATOM 0 H GLU A 83 11.747 -6.853 8.150 1.00 0.22 H new ATOM 0 HA GLU A 83 14.537 -7.459 8.928 1.00 0.26 H new ATOM 0 HB2 GLU A 83 13.773 -5.922 6.445 1.00 0.39 H new ATOM 0 HB3 GLU A 83 15.280 -6.739 6.811 1.00 0.39 H new ATOM 0 HG2 GLU A 83 12.642 -8.105 6.177 1.00 1.20 H new ATOM 0 HG3 GLU A 83 13.976 -7.895 5.060 1.00 1.20 H new ATOM 1240 N PRO A 84 14.680 -5.176 9.954 1.00 0.23 N ATOM 1241 CA PRO A 84 14.817 -3.846 10.552 1.00 0.21 C ATOM 1242 C PRO A 84 15.394 -2.833 9.571 1.00 0.19 C ATOM 1243 O PRO A 84 15.241 -1.623 9.749 1.00 0.20 O ATOM 1244 CB PRO A 84 15.774 -4.067 11.729 1.00 0.25 C ATOM 1245 CG PRO A 84 16.499 -5.327 11.404 1.00 0.50 C ATOM 1246 CD PRO A 84 15.528 -6.174 10.631 1.00 0.31 C ATOM 0 HA PRO A 84 13.853 -3.436 10.853 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.465 -3.231 11.838 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.230 -4.156 12.669 1.00 0.25 H new ATOM 0 HG2 PRO A 84 17.393 -5.122 10.815 1.00 0.50 H new ATOM 0 HG3 PRO A 84 16.824 -5.836 12.312 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.037 -6.821 9.917 1.00 0.31 H new ATOM 0 HD3 PRO A 84 14.945 -6.820 11.287 1.00 0.31 H new ATOM 1254 N GLU A 85 16.015 -3.330 8.510 1.00 0.20 N ATOM 1255 CA GLU A 85 16.655 -2.464 7.544 1.00 0.22 C ATOM 1256 C GLU A 85 16.813 -3.144 6.201 1.00 0.24 C ATOM 1257 O GLU A 85 17.622 -4.050 6.018 1.00 0.35 O ATOM 1258 CB GLU A 85 18.009 -1.986 8.066 1.00 0.31 C ATOM 1259 CG GLU A 85 18.731 -1.023 7.140 1.00 0.34 C ATOM 1260 CD GLU A 85 20.096 -0.650 7.669 1.00 0.90 C ATOM 1261 OE1 GLU A 85 20.187 0.296 8.480 1.00 1.37 O ATOM 1262 OE2 GLU A 85 21.084 -1.314 7.297 1.00 1.30 O ATOM 0 H GLU A 85 16.086 -4.326 8.301 1.00 0.20 H new ATOM 0 HA GLU A 85 16.009 -1.598 7.400 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.863 -1.502 9.032 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.646 -2.854 8.237 1.00 0.31 H new ATOM 0 HG2 GLU A 85 18.835 -1.476 6.154 1.00 0.34 H new ATOM 0 HG3 GLU A 85 18.131 -0.121 7.015 1.00 0.34 H new ATOM 1269 N LEU A 86 15.990 -2.695 5.290 1.00 0.23 N ATOM 1270 CA LEU A 86 16.071 -3.044 3.901 1.00 0.24 C ATOM 1271 C LEU A 86 16.385 -1.777 3.126 1.00 0.23 C ATOM 1272 O LEU A 86 15.571 -0.853 3.082 1.00 0.25 O ATOM 1273 CB LEU A 86 14.743 -3.631 3.430 1.00 0.26 C ATOM 1274 CG LEU A 86 14.641 -3.844 1.929 1.00 0.33 C ATOM 1275 CD1 LEU A 86 15.629 -4.903 1.464 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.219 -4.214 1.539 1.00 0.38 C ATOM 0 H LEU A 86 15.223 -2.057 5.503 1.00 0.23 H new ATOM 0 HA LEU A 86 16.847 -3.792 3.740 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.585 -4.586 3.931 1.00 0.26 H new ATOM 0 HB3 LEU A 86 13.936 -2.969 3.745 1.00 0.26 H new ATOM 0 HG LEU A 86 14.897 -2.909 1.431 1.00 0.33 H new ATOM 0 HD11 LEU A 86 15.537 -5.038 0.386 1.00 0.38 H new ATOM 0 HD12 LEU A 86 16.643 -4.585 1.705 1.00 0.38 H new ATOM 0 HD13 LEU A 86 15.415 -5.846 1.967 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.165 -4.363 0.461 1.00 0.38 H new ATOM 0 HD22 LEU A 86 12.930 -5.134 2.047 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.541 -3.411 1.829 1.00 0.38 H new ATOM 1288 N VAL A 87 17.572 -1.707 2.562 1.00 0.24 N ATOM 1289 CA VAL A 87 17.990 -0.518 1.846 1.00 0.22 C ATOM 1290 C VAL A 87 18.041 -0.802 0.341 1.00 0.21 C ATOM 1291 O VAL A 87 18.591 -1.816 -0.091 1.00 0.28 O ATOM 1292 CB VAL A 87 19.354 -0.010 2.383 1.00 0.27 C ATOM 1293 CG1 VAL A 87 20.507 -0.903 1.953 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.599 1.426 1.971 1.00 0.94 C ATOM 0 H VAL A 87 18.264 -2.456 2.584 1.00 0.24 H new ATOM 0 HA VAL A 87 17.260 0.275 2.012 1.00 0.22 H new ATOM 0 HB VAL A 87 19.305 -0.051 3.471 1.00 0.27 H new ATOM 0 HG11 VAL A 87 21.441 -0.508 2.352 1.00 1.00 H new ATOM 0 HG12 VAL A 87 20.347 -1.912 2.334 1.00 1.00 H new ATOM 0 HG13 VAL A 87 20.560 -0.930 0.865 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.562 1.757 2.360 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.604 1.497 0.883 1.00 0.94 H new ATOM 0 HG23 VAL A 87 18.808 2.060 2.372 1.00 0.94 H new ATOM 1304 N PHE A 88 17.436 0.075 -0.450 1.00 0.17 N ATOM 1305 CA PHE A 88 17.314 -0.147 -1.887 1.00 0.19 C ATOM 1306 C PHE A 88 17.189 1.172 -2.631 1.00 0.20 C ATOM 1307 O PHE A 88 16.902 2.209 -2.027 1.00 0.23 O ATOM 1308 CB PHE A 88 16.097 -1.027 -2.187 1.00 0.21 C ATOM 1309 CG PHE A 88 14.772 -0.379 -1.877 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.307 -0.300 -0.575 1.00 0.19 C ATOM 1311 CD2 PHE A 88 13.986 0.137 -2.896 1.00 0.17 C ATOM 1312 CE1 PHE A 88 13.087 0.282 -0.293 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.763 0.714 -2.622 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.310 0.789 -1.322 1.00 0.15 C ATOM 0 H PHE A 88 17.022 0.947 -0.122 1.00 0.17 H new ATOM 0 HA PHE A 88 18.217 -0.654 -2.228 1.00 0.19 H new ATOM 0 HB2 PHE A 88 16.115 -1.304 -3.241 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.180 -1.950 -1.613 1.00 0.21 H new ATOM 0 HD1 PHE A 88 14.906 -0.699 0.230 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.335 0.087 -3.917 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.739 0.342 0.728 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.160 1.107 -3.427 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.353 1.241 -1.107 1.00 0.15 H new ATOM 1324 N THR A 89 17.416 1.125 -3.932 1.00 0.23 N ATOM 1325 CA THR A 89 17.227 2.279 -4.789 1.00 0.25 C ATOM 1326 C THR A 89 15.755 2.396 -5.174 1.00 0.21 C ATOM 1327 O THR A 89 15.192 1.491 -5.791 1.00 0.22 O ATOM 1328 CB THR A 89 18.083 2.147 -6.060 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.419 1.761 -5.701 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.122 3.462 -6.829 1.00 0.37 C ATOM 0 H THR A 89 17.735 0.289 -4.421 1.00 0.23 H new ATOM 0 HA THR A 89 17.535 3.173 -4.247 1.00 0.25 H new ATOM 0 HB THR A 89 17.636 1.386 -6.700 1.00 0.33 H new ATOM 0 HG1 THR A 89 19.964 1.675 -6.511 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.734 3.342 -7.723 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.110 3.745 -7.117 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.551 4.240 -6.198 1.00 0.37 H new ATOM 1338 N LEU A 90 15.125 3.491 -4.776 1.00 0.19 N ATOM 1339 CA LEU A 90 13.723 3.721 -5.092 1.00 0.16 C ATOM 1340 C LEU A 90 13.511 3.789 -6.600 1.00 0.15 C ATOM 1341 O LEU A 90 14.315 4.368 -7.322 1.00 0.18 O ATOM 1342 CB LEU A 90 13.244 5.015 -4.447 1.00 0.16 C ATOM 1343 CG LEU A 90 11.734 5.149 -4.353 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.145 3.913 -3.692 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.359 6.406 -3.584 1.00 0.60 C ATOM 0 H LEU A 90 15.563 4.235 -4.233 1.00 0.19 H new ATOM 0 HA LEU A 90 13.145 2.886 -4.696 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.666 5.084 -3.444 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.636 5.857 -5.017 1.00 0.16 H new ATOM 0 HG LEU A 90 11.322 5.234 -5.358 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.062 4.016 -3.628 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.391 3.032 -4.284 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.559 3.804 -2.690 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.274 6.487 -3.526 1.00 0.60 H new ATOM 0 HD22 LEU A 90 11.773 6.354 -2.577 1.00 0.60 H new ATOM 0 HD23 LEU A 90 11.761 7.280 -4.097 1.00 0.60 H new ATOM 1357 N GLY A 91 12.442 3.167 -7.071 1.00 0.20 N ATOM 1358 CA GLY A 91 12.117 3.206 -8.482 1.00 0.23 C ATOM 1359 C GLY A 91 12.913 2.202 -9.277 1.00 0.26 C ATOM 1360 O GLY A 91 12.647 1.977 -10.458 1.00 0.37 O ATOM 0 H GLY A 91 11.789 2.632 -6.498 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.053 3.010 -8.614 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.307 4.207 -8.870 1.00 0.23 H new ATOM 1364 N ASP A 92 13.864 1.566 -8.613 1.00 0.27 N ATOM 1365 CA ASP A 92 14.779 0.650 -9.276 1.00 0.32 C ATOM 1366 C ASP A 92 14.174 -0.735 -9.319 1.00 0.30 C ATOM 1367 O ASP A 92 14.666 -1.624 -10.017 1.00 0.37 O ATOM 1368 CB ASP A 92 16.139 0.653 -8.561 1.00 0.42 C ATOM 1369 CG ASP A 92 17.162 -0.242 -9.225 1.00 0.59 C ATOM 1370 OD1 ASP A 92 17.465 -0.027 -10.416 1.00 0.93 O ATOM 1371 OD2 ASP A 92 17.663 -1.173 -8.565 1.00 0.82 O ATOM 0 H ASP A 92 14.023 1.668 -7.611 1.00 0.27 H new ATOM 0 HA ASP A 92 14.945 0.977 -10.303 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.523 1.672 -8.529 1.00 0.42 H new ATOM 0 HB3 ASP A 92 16.000 0.332 -7.529 1.00 0.42 H new ATOM 1376 N CYS A 93 13.063 -0.890 -8.603 1.00 0.28 N ATOM 1377 CA CYS A 93 12.364 -2.159 -8.529 1.00 0.27 C ATOM 1378 C CYS A 93 13.286 -3.213 -7.944 1.00 0.26 C ATOM 1379 O CYS A 93 13.174 -4.401 -8.252 1.00 0.31 O ATOM 1380 CB CYS A 93 11.889 -2.592 -9.914 1.00 0.38 C ATOM 1381 SG CYS A 93 11.193 -1.244 -10.907 1.00 0.62 S ATOM 0 H CYS A 93 12.629 -0.142 -8.063 1.00 0.28 H new ATOM 0 HA CYS A 93 11.491 -2.043 -7.887 1.00 0.27 H new ATOM 0 HB2 CYS A 93 12.728 -3.032 -10.454 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.137 -3.373 -9.802 1.00 0.38 H new ATOM 0 HG CYS A 93 10.074 -0.848 -10.377 1.00 0.62 H new ATOM 1387 N ASP A 94 14.196 -2.768 -7.079 1.00 0.27 N ATOM 1388 CA ASP A 94 15.126 -3.676 -6.435 1.00 0.33 C ATOM 1389 C ASP A 94 14.347 -4.547 -5.463 1.00 0.33 C ATOM 1390 O ASP A 94 14.759 -5.642 -5.078 1.00 0.48 O ATOM 1391 CB ASP A 94 16.218 -2.901 -5.697 1.00 0.41 C ATOM 1392 CG ASP A 94 17.258 -3.818 -5.083 1.00 0.65 C ATOM 1393 OD1 ASP A 94 18.113 -4.342 -5.830 1.00 0.96 O ATOM 1394 OD2 ASP A 94 17.235 -4.011 -3.853 1.00 1.33 O ATOM 0 H ASP A 94 14.304 -1.789 -6.813 1.00 0.27 H new ATOM 0 HA ASP A 94 15.613 -4.297 -7.187 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.705 -2.215 -6.390 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.764 -2.294 -4.914 1.00 0.41 H new ATOM 1399 N VAL A 95 13.189 -4.027 -5.111 1.00 0.23 N ATOM 1400 CA VAL A 95 12.282 -4.648 -4.165 1.00 0.21 C ATOM 1401 C VAL A 95 11.009 -5.095 -4.867 1.00 0.20 C ATOM 1402 O VAL A 95 10.988 -5.266 -6.085 1.00 0.22 O ATOM 1403 CB VAL A 95 11.914 -3.635 -3.077 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.097 -3.397 -2.171 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.471 -2.330 -3.718 1.00 0.19 C ATOM 0 H VAL A 95 12.844 -3.142 -5.482 1.00 0.23 H new ATOM 0 HA VAL A 95 12.775 -5.515 -3.725 1.00 0.21 H new ATOM 0 HB VAL A 95 11.093 -4.033 -2.481 1.00 0.20 H new ATOM 0 HG11 VAL A 95 12.826 -2.675 -1.400 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.390 -4.336 -1.702 1.00 0.23 H new ATOM 0 HG13 VAL A 95 13.930 -3.008 -2.756 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.210 -1.613 -2.940 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.283 -1.929 -4.324 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.602 -2.512 -4.350 1.00 0.19 H new ATOM 1415 N ILE A 96 9.941 -5.263 -4.102 1.00 0.19 N ATOM 1416 CA ILE A 96 8.659 -5.560 -4.677 1.00 0.19 C ATOM 1417 C ILE A 96 8.074 -4.264 -5.189 1.00 0.16 C ATOM 1418 O ILE A 96 8.235 -3.218 -4.556 1.00 0.15 O ATOM 1419 CB ILE A 96 7.705 -6.219 -3.657 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.456 -5.304 -2.450 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.281 -7.551 -3.205 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.469 -5.873 -1.452 1.00 0.29 C ATOM 0 H ILE A 96 9.947 -5.197 -3.084 1.00 0.19 H new ATOM 0 HA ILE A 96 8.785 -6.277 -5.489 1.00 0.19 H new ATOM 0 HB ILE A 96 6.745 -6.388 -4.144 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.404 -5.117 -1.945 1.00 0.25 H new ATOM 0 HG13 ILE A 96 7.088 -4.341 -2.804 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.606 -8.014 -2.485 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.398 -8.208 -4.067 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.252 -7.388 -2.738 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.342 -5.173 -0.626 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.509 -6.034 -1.942 1.00 0.29 H new ATOM 0 HD13 ILE A 96 6.845 -6.822 -1.069 1.00 0.29 H new ATOM 1434 N GLN A 97 7.438 -4.321 -6.335 1.00 0.17 N ATOM 1435 CA GLN A 97 6.961 -3.110 -6.990 1.00 0.17 C ATOM 1436 C GLN A 97 5.974 -2.363 -6.097 1.00 0.16 C ATOM 1437 O GLN A 97 5.898 -1.137 -6.139 1.00 0.16 O ATOM 1438 CB GLN A 97 6.324 -3.415 -8.343 1.00 0.19 C ATOM 1439 CG GLN A 97 6.365 -2.222 -9.286 1.00 0.25 C ATOM 1440 CD GLN A 97 7.756 -1.987 -9.864 1.00 0.31 C ATOM 1441 OE1 GLN A 97 8.612 -1.272 -9.138 1.00 0.40 O flip ATOM 1442 NE2 GLN A 97 8.071 -2.477 -10.947 1.00 0.32 N flip ATOM 0 H GLN A 97 7.236 -5.185 -6.837 1.00 0.17 H new ATOM 0 HA GLN A 97 7.828 -2.473 -7.164 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.841 -4.257 -8.804 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.289 -3.721 -8.193 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.658 -2.381 -10.100 1.00 0.25 H new ATOM 0 HG3 GLN A 97 6.040 -1.329 -8.752 1.00 0.25 H new ATOM 0 HE21 GLN A 97 7.390 -3.020 -11.478 1.00 0.32 H new ATOM 0 HE22 GLN A 97 9.013 -2.341 -11.314 1.00 0.32 H new ATOM 1451 N ALA A 98 5.235 -3.108 -5.280 1.00 0.17 N ATOM 1452 CA ALA A 98 4.345 -2.514 -4.286 1.00 0.18 C ATOM 1453 C ALA A 98 5.104 -1.545 -3.405 1.00 0.17 C ATOM 1454 O ALA A 98 4.703 -0.398 -3.222 1.00 0.20 O ATOM 1455 CB ALA A 98 3.735 -3.598 -3.421 1.00 0.20 C ATOM 0 H ALA A 98 5.235 -4.128 -5.287 1.00 0.17 H new ATOM 0 HA ALA A 98 3.556 -1.977 -4.812 1.00 0.18 H new ATOM 0 HB1 ALA A 98 3.073 -3.145 -2.683 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.165 -4.285 -4.047 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.528 -4.145 -2.910 1.00 0.20 H new ATOM 1461 N LEU A 99 6.224 -2.021 -2.894 1.00 0.17 N ATOM 1462 CA LEU A 99 7.048 -1.236 -1.982 1.00 0.17 C ATOM 1463 C LEU A 99 7.708 -0.095 -2.722 1.00 0.15 C ATOM 1464 O LEU A 99 7.752 1.035 -2.240 1.00 0.15 O ATOM 1465 CB LEU A 99 8.129 -2.088 -1.330 1.00 0.19 C ATOM 1466 CG LEU A 99 9.011 -1.328 -0.328 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.176 -0.781 0.821 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.121 -2.213 0.204 1.00 0.22 C ATOM 0 H LEU A 99 6.589 -2.952 -3.094 1.00 0.17 H new ATOM 0 HA LEU A 99 6.390 -0.848 -1.205 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.656 -2.926 -0.818 1.00 0.19 H new ATOM 0 HB3 LEU A 99 8.764 -2.509 -2.110 1.00 0.19 H new ATOM 0 HG LEU A 99 9.466 -0.490 -0.856 1.00 0.18 H new ATOM 0 HD11 LEU A 99 8.822 -0.247 1.518 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.421 -0.099 0.430 1.00 0.21 H new ATOM 0 HD13 LEU A 99 7.686 -1.605 1.339 1.00 0.21 H new ATOM 0 HD21 LEU A 99 10.729 -1.649 0.911 1.00 0.22 H new ATOM 0 HD22 LEU A 99 9.688 -3.077 0.707 1.00 0.22 H new ATOM 0 HD23 LEU A 99 10.745 -2.550 -0.623 1.00 0.22 H new ATOM 1480 N ASP A 100 8.180 -0.407 -3.914 1.00 0.15 N ATOM 1481 CA ASP A 100 8.928 0.530 -4.730 1.00 0.16 C ATOM 1482 C ASP A 100 8.066 1.747 -5.048 1.00 0.15 C ATOM 1483 O ASP A 100 8.566 2.849 -5.257 1.00 0.16 O ATOM 1484 CB ASP A 100 9.376 -0.184 -6.009 1.00 0.17 C ATOM 1485 CG ASP A 100 10.263 0.659 -6.892 1.00 0.20 C ATOM 1486 OD1 ASP A 100 11.494 0.641 -6.696 1.00 0.21 O ATOM 1487 OD2 ASP A 100 9.726 1.368 -7.768 1.00 0.26 O ATOM 0 H ASP A 100 8.055 -1.323 -4.346 1.00 0.15 H new ATOM 0 HA ASP A 100 9.809 0.881 -4.193 1.00 0.16 H new ATOM 0 HB2 ASP A 100 9.908 -1.096 -5.739 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.494 -0.485 -6.575 1.00 0.17 H new ATOM 1492 N LEU A 101 6.760 1.524 -5.087 1.00 0.16 N ATOM 1493 CA LEU A 101 5.798 2.587 -5.297 1.00 0.16 C ATOM 1494 C LEU A 101 5.320 3.206 -3.979 1.00 0.15 C ATOM 1495 O LEU A 101 5.058 4.413 -3.900 1.00 0.16 O ATOM 1496 CB LEU A 101 4.607 2.035 -6.071 1.00 0.19 C ATOM 1497 CG LEU A 101 4.941 1.393 -7.422 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.678 0.860 -8.079 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.651 2.390 -8.329 1.00 0.25 C ATOM 0 H LEU A 101 6.342 0.601 -4.974 1.00 0.16 H new ATOM 0 HA LEU A 101 6.289 3.378 -5.865 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.104 1.294 -5.450 1.00 0.19 H new ATOM 0 HB3 LEU A 101 3.897 2.845 -6.238 1.00 0.19 H new ATOM 0 HG LEU A 101 5.617 0.555 -7.253 1.00 0.22 H new ATOM 0 HD11 LEU A 101 3.930 0.407 -9.038 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.220 0.111 -7.433 1.00 0.25 H new ATOM 0 HD13 LEU A 101 2.977 1.679 -8.238 1.00 0.25 H new ATOM 0 HD21 LEU A 101 5.880 1.915 -9.283 1.00 0.25 H new ATOM 0 HD22 LEU A 101 5.005 3.252 -8.498 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.577 2.717 -7.856 1.00 0.25 H new ATOM 1511 N SER A 102 5.205 2.383 -2.945 1.00 0.15 N ATOM 1512 CA SER A 102 4.621 2.827 -1.689 1.00 0.17 C ATOM 1513 C SER A 102 5.547 3.791 -0.964 1.00 0.15 C ATOM 1514 O SER A 102 5.098 4.609 -0.167 1.00 0.18 O ATOM 1515 CB SER A 102 4.302 1.631 -0.786 1.00 0.23 C ATOM 1516 OG SER A 102 5.468 0.883 -0.489 1.00 1.01 O ATOM 0 H SER A 102 5.507 1.409 -2.952 1.00 0.15 H new ATOM 0 HA SER A 102 3.693 3.349 -1.923 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.848 1.983 0.140 1.00 0.23 H new ATOM 0 HB3 SER A 102 3.570 0.988 -1.276 1.00 0.23 H new ATOM 0 HG SER A 102 6.192 1.152 -1.093 1.00 1.01 H new ATOM 1522 N VAL A 103 6.835 3.688 -1.256 1.00 0.15 N ATOM 1523 CA VAL A 103 7.852 4.508 -0.610 1.00 0.16 C ATOM 1524 C VAL A 103 7.821 5.968 -1.075 1.00 0.16 C ATOM 1525 O VAL A 103 7.833 6.869 -0.252 1.00 0.18 O ATOM 1526 CB VAL A 103 9.246 3.921 -0.842 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.338 4.880 -0.382 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.378 2.597 -0.123 1.00 0.19 C ATOM 0 H VAL A 103 7.205 3.035 -1.946 1.00 0.15 H new ATOM 0 HA VAL A 103 7.623 4.500 0.456 1.00 0.16 H new ATOM 0 HB VAL A 103 9.370 3.763 -1.913 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.315 4.432 -0.561 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.260 5.814 -0.938 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.221 5.081 0.683 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.374 2.188 -0.294 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.226 2.747 0.946 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.629 1.901 -0.502 1.00 0.19 H new ATOM 1538 N PRO A 104 7.814 6.239 -2.388 1.00 0.17 N ATOM 1539 CA PRO A 104 7.660 7.609 -2.888 1.00 0.21 C ATOM 1540 C PRO A 104 6.290 8.183 -2.541 1.00 0.19 C ATOM 1541 O PRO A 104 6.089 9.399 -2.542 1.00 0.22 O ATOM 1542 CB PRO A 104 7.835 7.463 -4.399 1.00 0.27 C ATOM 1543 CG PRO A 104 7.543 6.031 -4.683 1.00 0.21 C ATOM 1544 CD PRO A 104 8.011 5.278 -3.478 1.00 0.17 C ATOM 0 HA PRO A 104 8.377 8.299 -2.444 1.00 0.21 H new ATOM 0 HB2 PRO A 104 7.154 8.120 -4.941 1.00 0.27 H new ATOM 0 HB3 PRO A 104 8.846 7.728 -4.707 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.478 5.875 -4.854 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.062 5.696 -5.581 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.433 4.367 -3.322 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.056 4.980 -3.569 1.00 0.17 H new ATOM 1552 N LEU A 105 5.342 7.294 -2.267 1.00 0.18 N ATOM 1553 CA LEU A 105 4.053 7.687 -1.712 1.00 0.19 C ATOM 1554 C LEU A 105 4.161 7.898 -0.205 1.00 0.22 C ATOM 1555 O LEU A 105 3.302 8.515 0.420 1.00 0.32 O ATOM 1556 CB LEU A 105 3.010 6.618 -2.004 1.00 0.18 C ATOM 1557 CG LEU A 105 2.476 6.605 -3.434 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.282 5.675 -3.541 1.00 0.53 C ATOM 1559 CD2 LEU A 105 2.107 8.012 -3.891 1.00 0.64 C ATOM 0 H LEU A 105 5.443 6.291 -2.421 1.00 0.18 H new ATOM 0 HA LEU A 105 3.750 8.624 -2.179 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.443 5.642 -1.786 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.171 6.755 -1.321 1.00 0.18 H new ATOM 0 HG LEU A 105 3.264 6.236 -4.091 1.00 0.25 H new ATOM 0 HD11 LEU A 105 0.911 5.675 -4.566 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.582 4.664 -3.264 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.494 6.016 -2.870 1.00 0.53 H new ATOM 0 HD21 LEU A 105 1.729 7.975 -4.913 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.338 8.418 -3.234 1.00 0.64 H new ATOM 0 HD23 LEU A 105 2.990 8.650 -3.853 1.00 0.64 H new ATOM 1571 N MET A 106 5.212 7.341 0.360 1.00 0.20 N ATOM 1572 CA MET A 106 5.507 7.432 1.780 1.00 0.24 C ATOM 1573 C MET A 106 6.376 8.654 2.085 1.00 0.21 C ATOM 1574 O MET A 106 7.157 9.106 1.247 1.00 0.26 O ATOM 1575 CB MET A 106 6.212 6.138 2.203 1.00 0.33 C ATOM 1576 CG MET A 106 6.856 6.166 3.570 1.00 0.53 C ATOM 1577 SD MET A 106 7.676 4.608 3.956 1.00 0.78 S ATOM 1578 CE MET A 106 6.317 3.463 3.765 1.00 0.54 C ATOM 0 H MET A 106 5.901 6.801 -0.163 1.00 0.20 H new ATOM 0 HA MET A 106 4.582 7.553 2.343 1.00 0.24 H new ATOM 0 HB2 MET A 106 5.487 5.325 2.179 1.00 0.33 H new ATOM 0 HB3 MET A 106 6.978 5.904 1.464 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.581 6.979 3.614 1.00 0.53 H new ATOM 0 HG3 MET A 106 6.098 6.374 4.325 1.00 0.53 H new ATOM 0 HE1 MET A 106 6.155 2.931 4.702 1.00 0.54 H new ATOM 0 HE2 MET A 106 5.414 4.012 3.499 1.00 0.54 H new ATOM 0 HE3 MET A 106 6.552 2.747 2.977 1.00 0.54 H new ATOM 1588 N ASP A 107 6.212 9.198 3.278 1.00 0.18 N ATOM 1589 CA ASP A 107 7.023 10.317 3.734 1.00 0.18 C ATOM 1590 C ASP A 107 8.215 9.815 4.541 1.00 0.14 C ATOM 1591 O ASP A 107 8.123 8.789 5.216 1.00 0.13 O ATOM 1592 CB ASP A 107 6.190 11.261 4.600 1.00 0.25 C ATOM 1593 CG ASP A 107 5.684 12.467 3.843 1.00 0.56 C ATOM 1594 OD1 ASP A 107 6.423 13.468 3.772 1.00 0.97 O ATOM 1595 OD2 ASP A 107 4.544 12.436 3.334 1.00 0.92 O ATOM 0 H ASP A 107 5.518 8.880 3.955 1.00 0.18 H new ATOM 0 HA ASP A 107 7.382 10.855 2.857 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.341 10.714 5.010 1.00 0.25 H new ATOM 0 HB3 ASP A 107 6.792 11.596 5.445 1.00 0.25 H new ATOM 1600 N VAL A 108 9.336 10.519 4.467 1.00 0.16 N ATOM 1601 CA VAL A 108 10.500 10.152 5.261 1.00 0.16 C ATOM 1602 C VAL A 108 10.175 10.206 6.750 1.00 0.15 C ATOM 1603 O VAL A 108 9.762 11.233 7.275 1.00 0.19 O ATOM 1604 CB VAL A 108 11.715 11.062 4.955 1.00 0.21 C ATOM 1605 CG1 VAL A 108 12.675 11.137 6.133 1.00 0.68 C ATOM 1606 CG2 VAL A 108 12.448 10.549 3.728 1.00 0.80 C ATOM 0 H VAL A 108 9.464 11.338 3.873 1.00 0.16 H new ATOM 0 HA VAL A 108 10.766 9.131 4.989 1.00 0.16 H new ATOM 0 HB VAL A 108 11.338 12.067 4.767 1.00 0.21 H new ATOM 0 HG11 VAL A 108 13.514 11.785 5.878 1.00 0.68 H new ATOM 0 HG12 VAL A 108 12.155 11.541 7.001 1.00 0.68 H new ATOM 0 HG13 VAL A 108 13.045 10.138 6.365 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.302 11.194 3.518 1.00 0.80 H new ATOM 0 HG22 VAL A 108 12.797 9.533 3.911 1.00 0.80 H new ATOM 0 HG23 VAL A 108 11.772 10.552 2.873 1.00 0.80 H new ATOM 1616 N GLY A 109 10.383 9.094 7.418 1.00 0.15 N ATOM 1617 CA GLY A 109 10.209 9.049 8.856 1.00 0.17 C ATOM 1618 C GLY A 109 8.868 8.480 9.273 1.00 0.18 C ATOM 1619 O GLY A 109 8.537 8.471 10.461 1.00 0.28 O ATOM 0 H GLY A 109 10.671 8.212 6.994 1.00 0.15 H new ATOM 0 HA2 GLY A 109 11.005 8.447 9.294 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.312 10.056 9.260 1.00 0.17 H new ATOM 1623 N GLU A 110 8.088 8.006 8.313 1.00 0.13 N ATOM 1624 CA GLU A 110 6.793 7.434 8.626 1.00 0.13 C ATOM 1625 C GLU A 110 6.869 5.914 8.652 1.00 0.10 C ATOM 1626 O GLU A 110 7.874 5.316 8.256 1.00 0.12 O ATOM 1627 CB GLU A 110 5.705 7.891 7.639 1.00 0.17 C ATOM 1628 CG GLU A 110 5.685 7.147 6.323 1.00 0.20 C ATOM 1629 CD GLU A 110 4.343 7.223 5.600 1.00 0.27 C ATOM 1630 OE1 GLU A 110 3.412 6.492 5.989 1.00 0.39 O ATOM 1631 OE2 GLU A 110 4.223 7.989 4.618 1.00 0.41 O ATOM 0 H GLU A 110 8.328 8.007 7.322 1.00 0.13 H new ATOM 0 HA GLU A 110 6.515 7.796 9.616 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.732 7.780 8.117 1.00 0.17 H new ATOM 0 HB3 GLU A 110 5.842 8.953 7.437 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.462 7.552 5.674 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.933 6.101 6.502 1.00 0.20 H new ATOM 1638 N THR A 111 5.813 5.302 9.149 1.00 0.10 N ATOM 1639 CA THR A 111 5.667 3.875 9.105 1.00 0.11 C ATOM 1640 C THR A 111 4.320 3.576 8.491 1.00 0.11 C ATOM 1641 O THR A 111 3.283 3.959 9.035 1.00 0.12 O ATOM 1642 CB THR A 111 5.760 3.237 10.501 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.892 3.767 11.201 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.895 1.725 10.399 1.00 0.19 C ATOM 0 H THR A 111 5.035 5.788 9.594 1.00 0.10 H new ATOM 0 HA THR A 111 6.478 3.451 8.514 1.00 0.11 H new ATOM 0 HB THR A 111 4.845 3.471 11.045 1.00 0.16 H new ATOM 0 HG1 THR A 111 6.947 3.359 12.091 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.959 1.297 11.399 1.00 0.19 H new ATOM 0 HG22 THR A 111 5.026 1.316 9.884 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.797 1.477 9.840 1.00 0.19 H new ATOM 1652 N ALA A 112 4.337 2.927 7.357 1.00 0.12 N ATOM 1653 CA ALA A 112 3.126 2.691 6.615 1.00 0.13 C ATOM 1654 C ALA A 112 2.845 1.214 6.520 1.00 0.12 C ATOM 1655 O ALA A 112 3.755 0.411 6.346 1.00 0.13 O ATOM 1656 CB ALA A 112 3.230 3.298 5.236 1.00 0.18 C ATOM 0 H ALA A 112 5.181 2.550 6.925 1.00 0.12 H new ATOM 0 HA ALA A 112 2.298 3.165 7.142 1.00 0.13 H new ATOM 0 HB1 ALA A 112 2.307 3.112 4.686 1.00 0.18 H new ATOM 0 HB2 ALA A 112 3.390 4.373 5.323 1.00 0.18 H new ATOM 0 HB3 ALA A 112 4.067 2.848 4.703 1.00 0.18 H new ATOM 1662 N MET A 113 1.592 0.855 6.659 1.00 0.12 N ATOM 1663 CA MET A 113 1.176 -0.498 6.406 1.00 0.12 C ATOM 1664 C MET A 113 0.602 -0.538 5.014 1.00 0.12 C ATOM 1665 O MET A 113 -0.389 0.126 4.734 1.00 0.14 O ATOM 1666 CB MET A 113 0.128 -0.944 7.426 1.00 0.16 C ATOM 1667 CG MET A 113 -0.590 -2.221 7.033 1.00 0.25 C ATOM 1668 SD MET A 113 -1.748 -2.781 8.292 1.00 0.53 S ATOM 1669 CE MET A 113 -0.604 -3.368 9.535 1.00 1.32 C ATOM 0 H MET A 113 0.843 1.485 6.947 1.00 0.12 H new ATOM 0 HA MET A 113 2.024 -1.177 6.494 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.611 -1.090 8.392 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.606 -0.148 7.554 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.126 -2.059 6.098 1.00 0.25 H new ATOM 0 HG3 MET A 113 0.145 -3.004 6.847 1.00 0.25 H new ATOM 0 HE1 MET A 113 -1.130 -4.013 10.238 1.00 1.32 H new ATOM 0 HE2 MET A 113 0.197 -3.931 9.056 1.00 1.32 H new ATOM 0 HE3 MET A 113 -0.180 -2.518 10.070 1.00 1.32 H new ATOM 1679 N VAL A 114 1.223 -1.291 4.142 1.00 0.12 N ATOM 1680 CA VAL A 114 0.790 -1.352 2.768 1.00 0.12 C ATOM 1681 C VAL A 114 0.262 -2.726 2.481 1.00 0.13 C ATOM 1682 O VAL A 114 0.899 -3.723 2.821 1.00 0.16 O ATOM 1683 CB VAL A 114 1.943 -1.063 1.794 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.441 -0.836 0.374 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.757 0.113 2.281 1.00 0.17 C ATOM 0 H VAL A 114 2.033 -1.872 4.359 1.00 0.12 H new ATOM 0 HA VAL A 114 0.019 -0.595 2.627 1.00 0.12 H new ATOM 0 HB VAL A 114 2.587 -1.942 1.766 1.00 0.15 H new ATOM 0 HG11 VAL A 114 2.287 -0.635 -0.283 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.916 -1.726 0.027 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.761 0.015 0.360 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.570 0.307 1.582 1.00 0.17 H new ATOM 0 HG22 VAL A 114 2.119 0.994 2.349 1.00 0.17 H new ATOM 0 HG23 VAL A 114 3.170 -0.112 3.264 1.00 0.17 H new ATOM 1695 N THR A 115 -0.897 -2.796 1.884 1.00 0.14 N ATOM 1696 CA THR A 115 -1.398 -4.066 1.484 1.00 0.14 C ATOM 1697 C THR A 115 -1.502 -4.103 -0.017 1.00 0.13 C ATOM 1698 O THR A 115 -2.252 -3.349 -0.640 1.00 0.16 O ATOM 1699 CB THR A 115 -2.728 -4.411 2.156 1.00 0.17 C ATOM 1700 OG1 THR A 115 -2.579 -4.306 3.575 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.130 -5.820 1.811 1.00 0.20 C ATOM 0 H THR A 115 -1.497 -1.999 1.670 1.00 0.14 H new ATOM 0 HA THR A 115 -0.698 -4.833 1.814 1.00 0.14 H new ATOM 0 HB THR A 115 -3.495 -3.720 1.805 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.272 -3.713 3.934 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.078 -6.056 2.294 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.240 -5.913 0.731 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.363 -6.513 2.158 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.681 -4.957 -0.565 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.541 -5.125 -1.995 1.00 0.13 C ATOM 1711 C ALA A 116 -0.729 -6.576 -2.358 1.00 0.12 C ATOM 1712 O ALA A 116 -0.257 -7.457 -1.648 1.00 0.13 O ATOM 1713 CB ALA A 116 0.826 -4.656 -2.432 1.00 0.15 C ATOM 0 H ALA A 116 -0.075 -5.572 -0.022 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.300 -4.530 -2.504 1.00 0.13 H new ATOM 0 HB1 ALA A 116 0.927 -4.784 -3.510 1.00 0.15 H new ATOM 0 HB2 ALA A 116 0.947 -3.603 -2.179 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.592 -5.242 -1.923 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.430 -6.827 -3.447 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.562 -8.183 -3.950 1.00 0.13 C ATOM 1721 C ASP A 117 -0.181 -8.790 -4.134 1.00 0.11 C ATOM 1722 O ASP A 117 0.786 -8.072 -4.401 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.284 -8.198 -5.286 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.789 -9.585 -5.652 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -1.965 -10.419 -6.095 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -3.999 -9.842 -5.501 1.00 0.58 O ATOM 0 H ASP A 117 -1.914 -6.117 -3.997 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.140 -8.761 -3.229 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -3.125 -7.505 -5.250 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.610 -7.842 -6.065 1.00 0.16 H new ATOM 1731 N SER A 118 -0.091 -10.102 -3.999 1.00 0.13 N ATOM 1732 CA SER A 118 1.165 -10.813 -4.166 1.00 0.16 C ATOM 1733 C SER A 118 1.780 -10.492 -5.527 1.00 0.13 C ATOM 1734 O SER A 118 2.990 -10.487 -5.681 1.00 0.15 O ATOM 1735 CB SER A 118 0.935 -12.317 -4.034 1.00 0.27 C ATOM 1736 OG SER A 118 2.106 -12.991 -3.604 1.00 0.82 O ATOM 0 H SER A 118 -0.883 -10.703 -3.771 1.00 0.13 H new ATOM 0 HA SER A 118 1.857 -10.491 -3.387 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.128 -12.501 -3.325 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.614 -12.722 -4.994 1.00 0.27 H new ATOM 0 HG SER A 118 1.896 -13.932 -3.427 1.00 0.82 H new ATOM 1742 N LYS A 119 0.945 -10.210 -6.508 1.00 0.13 N ATOM 1743 CA LYS A 119 1.424 -9.808 -7.825 1.00 0.14 C ATOM 1744 C LYS A 119 2.357 -8.590 -7.739 1.00 0.14 C ATOM 1745 O LYS A 119 3.269 -8.448 -8.552 1.00 0.18 O ATOM 1746 CB LYS A 119 0.249 -9.513 -8.750 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.792 -8.600 -8.144 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.865 -8.234 -9.157 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.609 -9.463 -9.657 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.476 -9.157 -10.830 1.00 0.81 N ATOM 0 H LYS A 119 -0.071 -10.251 -6.422 1.00 0.13 H new ATOM 0 HA LYS A 119 1.999 -10.638 -8.237 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.626 -9.060 -9.667 1.00 0.17 H new ATOM 0 HB3 LYS A 119 -0.225 -10.453 -9.030 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -1.252 -9.089 -7.285 1.00 0.19 H new ATOM 0 HG3 LYS A 119 -0.313 -7.693 -7.775 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.572 -7.540 -8.703 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.408 -7.717 -10.001 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -1.890 -10.235 -9.930 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -3.221 -9.868 -8.851 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -3.963 -10.023 -11.137 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -4.180 -8.439 -10.564 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -2.890 -8.795 -11.609 1.00 0.81 H new ATOM 1764 N TYR A 120 2.142 -7.727 -6.745 1.00 0.13 N ATOM 1765 CA TYR A 120 3.023 -6.584 -6.526 1.00 0.15 C ATOM 1766 C TYR A 120 4.064 -6.920 -5.477 1.00 0.15 C ATOM 1767 O TYR A 120 4.898 -6.089 -5.116 1.00 0.19 O ATOM 1768 CB TYR A 120 2.222 -5.365 -6.070 1.00 0.16 C ATOM 1769 CG TYR A 120 1.132 -4.971 -7.021 1.00 0.20 C ATOM 1770 CD1 TYR A 120 1.385 -4.084 -8.048 1.00 0.28 C ATOM 1771 CD2 TYR A 120 -0.143 -5.497 -6.895 1.00 0.23 C ATOM 1772 CE1 TYR A 120 0.388 -3.729 -8.935 1.00 0.34 C ATOM 1773 CE2 TYR A 120 -1.149 -5.152 -7.768 1.00 0.30 C ATOM 1774 CZ TYR A 120 -0.881 -4.266 -8.790 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.877 -3.924 -9.676 1.00 0.42 O ATOM 0 H TYR A 120 1.369 -7.799 -6.083 1.00 0.13 H new ATOM 0 HA TYR A 120 3.518 -6.352 -7.469 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.783 -5.574 -5.094 1.00 0.16 H new ATOM 0 HB3 TYR A 120 2.901 -4.522 -5.940 1.00 0.16 H new ATOM 0 HD1 TYR A 120 2.373 -3.663 -8.159 1.00 0.28 H new ATOM 0 HD2 TYR A 120 -0.352 -6.192 -6.095 1.00 0.23 H new ATOM 0 HE1 TYR A 120 0.596 -3.037 -9.737 1.00 0.34 H new ATOM 0 HE2 TYR A 120 -2.138 -5.571 -7.654 1.00 0.30 H new ATOM 0 HH TYR A 120 -2.719 -3.801 -9.190 1.00 0.42 H new ATOM 1785 N CYS A 121 4.009 -8.150 -5.007 1.00 0.14 N ATOM 1786 CA CYS A 121 4.863 -8.604 -3.930 1.00 0.15 C ATOM 1787 C CYS A 121 5.665 -9.829 -4.359 1.00 0.16 C ATOM 1788 O CYS A 121 6.753 -9.690 -4.914 1.00 0.18 O ATOM 1789 CB CYS A 121 4.016 -8.904 -2.700 1.00 0.14 C ATOM 1790 SG CYS A 121 3.006 -7.504 -2.168 1.00 0.16 S ATOM 0 H CYS A 121 3.371 -8.862 -5.361 1.00 0.14 H new ATOM 0 HA CYS A 121 5.575 -7.817 -3.680 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.365 -9.752 -2.914 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.670 -9.203 -1.881 1.00 0.14 H new ATOM 0 HG CYS A 121 1.955 -7.414 -2.928 1.00 0.16 H new ATOM 1796 N TYR A 122 5.135 -11.032 -4.124 1.00 0.16 N ATOM 1797 CA TYR A 122 5.829 -12.239 -4.557 1.00 0.18 C ATOM 1798 C TYR A 122 4.870 -13.302 -5.119 1.00 0.18 C ATOM 1799 O TYR A 122 5.091 -14.482 -4.894 1.00 0.20 O ATOM 1800 CB TYR A 122 6.626 -12.861 -3.401 1.00 0.19 C ATOM 1801 CG TYR A 122 7.379 -11.877 -2.521 1.00 0.20 C ATOM 1802 CD1 TYR A 122 8.677 -11.491 -2.841 1.00 0.21 C ATOM 1803 CD2 TYR A 122 6.804 -11.346 -1.369 1.00 0.19 C ATOM 1804 CE1 TYR A 122 9.376 -10.608 -2.042 1.00 0.23 C ATOM 1805 CE2 TYR A 122 7.499 -10.466 -0.571 1.00 0.20 C ATOM 1806 CZ TYR A 122 8.782 -10.100 -0.908 1.00 0.22 C ATOM 1807 OH TYR A 122 9.470 -9.228 -0.104 1.00 0.24 O ATOM 0 H TYR A 122 4.248 -11.192 -3.647 1.00 0.16 H new ATOM 0 HA TYR A 122 6.505 -11.927 -5.353 1.00 0.18 H new ATOM 0 HB2 TYR A 122 5.939 -13.430 -2.774 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.341 -13.571 -3.817 1.00 0.19 H new ATOM 0 HD1 TYR A 122 9.146 -11.889 -3.729 1.00 0.21 H new ATOM 0 HD2 TYR A 122 5.798 -11.629 -1.098 1.00 0.19 H new ATOM 0 HE1 TYR A 122 10.382 -10.317 -2.305 1.00 0.23 H new ATOM 0 HE2 TYR A 122 7.038 -10.063 0.319 1.00 0.20 H new ATOM 0 HH TYR A 122 8.839 -8.620 0.334 1.00 0.24 H new ATOM 1817 N GLY A 123 3.834 -12.897 -5.864 1.00 0.19 N ATOM 1818 CA GLY A 123 2.895 -13.859 -6.444 1.00 0.21 C ATOM 1819 C GLY A 123 3.573 -15.015 -7.163 1.00 0.21 C ATOM 1820 O GLY A 123 3.666 -16.117 -6.628 1.00 0.25 O ATOM 0 H GLY A 123 3.628 -11.921 -6.076 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.260 -14.257 -5.652 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.242 -13.339 -7.145 1.00 0.21 H new ATOM 1824 N PRO A 124 4.046 -14.801 -8.393 1.00 0.25 N ATOM 1825 CA PRO A 124 4.832 -15.793 -9.108 1.00 0.30 C ATOM 1826 C PRO A 124 6.313 -15.617 -8.810 1.00 0.30 C ATOM 1827 O PRO A 124 7.174 -16.171 -9.495 1.00 0.34 O ATOM 1828 CB PRO A 124 4.526 -15.467 -10.564 1.00 0.37 C ATOM 1829 CG PRO A 124 4.306 -13.987 -10.583 1.00 0.58 C ATOM 1830 CD PRO A 124 3.833 -13.589 -9.203 1.00 0.32 C ATOM 0 HA PRO A 124 4.596 -16.822 -8.835 1.00 0.30 H new ATOM 0 HB2 PRO A 124 5.351 -15.753 -11.216 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.643 -16.003 -10.913 1.00 0.37 H new ATOM 0 HG2 PRO A 124 5.227 -13.464 -10.840 1.00 0.58 H new ATOM 0 HG3 PRO A 124 3.566 -13.717 -11.336 1.00 0.58 H new ATOM 0 HD2 PRO A 124 4.401 -12.744 -8.814 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.784 -13.292 -9.210 1.00 0.32 H new ATOM 1838 N GLN A 125 6.587 -14.829 -7.778 1.00 0.27 N ATOM 1839 CA GLN A 125 7.950 -14.447 -7.442 1.00 0.30 C ATOM 1840 C GLN A 125 8.437 -15.226 -6.232 1.00 0.32 C ATOM 1841 O GLN A 125 9.520 -15.807 -6.240 1.00 0.39 O ATOM 1842 CB GLN A 125 8.009 -12.943 -7.166 1.00 0.30 C ATOM 1843 CG GLN A 125 7.532 -12.099 -8.338 1.00 0.33 C ATOM 1844 CD GLN A 125 7.333 -10.647 -7.967 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.248 -9.834 -8.052 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.119 -10.309 -7.576 1.00 0.29 N ATOM 0 H GLN A 125 5.877 -14.441 -7.157 1.00 0.27 H new ATOM 0 HA GLN A 125 8.602 -14.681 -8.284 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.399 -12.717 -6.292 1.00 0.30 H new ATOM 0 HB3 GLN A 125 9.034 -12.665 -6.920 1.00 0.30 H new ATOM 0 HG2 GLN A 125 8.258 -12.167 -9.149 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.594 -12.505 -8.715 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.386 -11.016 -7.519 1.00 0.29 H new ATOM 0 HE22 GLN A 125 5.913 -9.341 -7.331 1.00 0.29 H new ATOM 1855 N GLY A 126 7.608 -15.234 -5.202 1.00 0.27 N ATOM 1856 CA GLY A 126 7.948 -15.866 -3.955 1.00 0.27 C ATOM 1857 C GLY A 126 8.903 -15.047 -3.123 1.00 0.28 C ATOM 1858 O GLY A 126 9.804 -14.384 -3.640 1.00 0.30 O ATOM 0 H GLY A 126 6.684 -14.802 -5.214 1.00 0.27 H new ATOM 0 HA2 GLY A 126 7.037 -16.044 -3.384 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.393 -16.840 -4.157 1.00 0.27 H new ATOM 1862 N SER A 127 8.687 -15.087 -1.827 1.00 0.27 N ATOM 1863 CA SER A 127 9.459 -14.288 -0.894 1.00 0.28 C ATOM 1864 C SER A 127 10.700 -15.026 -0.382 1.00 0.32 C ATOM 1865 O SER A 127 10.788 -16.254 -0.454 1.00 0.33 O ATOM 1866 CB SER A 127 8.549 -13.843 0.264 1.00 0.27 C ATOM 1867 OG SER A 127 9.284 -13.371 1.382 1.00 0.30 O ATOM 0 H SER A 127 7.975 -15.671 -1.389 1.00 0.27 H new ATOM 0 HA SER A 127 9.830 -13.408 -1.419 1.00 0.28 H new ATOM 0 HB2 SER A 127 7.880 -13.056 -0.085 1.00 0.27 H new ATOM 0 HB3 SER A 127 7.923 -14.680 0.572 1.00 0.27 H new ATOM 0 HG SER A 127 8.679 -13.250 2.144 1.00 0.30 H new ATOM 1873 N ARG A 128 11.662 -14.237 0.122 1.00 0.38 N ATOM 1874 CA ARG A 128 12.978 -14.733 0.519 1.00 0.42 C ATOM 1875 C ARG A 128 12.877 -15.915 1.475 1.00 0.42 C ATOM 1876 O ARG A 128 13.526 -16.939 1.262 1.00 0.52 O ATOM 1877 CB ARG A 128 13.820 -13.598 1.128 1.00 0.52 C ATOM 1878 CG ARG A 128 13.161 -12.869 2.292 1.00 1.12 C ATOM 1879 CD ARG A 128 14.079 -11.803 2.875 1.00 1.41 C ATOM 1880 NE ARG A 128 15.326 -12.365 3.388 1.00 1.81 N ATOM 1881 CZ ARG A 128 16.491 -11.721 3.378 1.00 2.33 C ATOM 1882 NH1 ARG A 128 16.563 -10.488 2.890 1.00 2.45 N ATOM 1883 NH2 ARG A 128 17.584 -12.303 3.868 1.00 3.17 N ATOM 0 H ARG A 128 11.543 -13.234 0.264 1.00 0.38 H new ATOM 0 HA ARG A 128 13.480 -15.093 -0.379 1.00 0.42 H new ATOM 0 HB2 ARG A 128 14.770 -14.011 1.467 1.00 0.52 H new ATOM 0 HB3 ARG A 128 14.048 -12.874 0.346 1.00 0.52 H new ATOM 0 HG2 ARG A 128 12.233 -12.407 1.955 1.00 1.12 H new ATOM 0 HG3 ARG A 128 12.896 -13.586 3.069 1.00 1.12 H new ATOM 0 HD2 ARG A 128 14.305 -11.063 2.108 1.00 1.41 H new ATOM 0 HD3 ARG A 128 13.561 -11.281 3.679 1.00 1.41 H new ATOM 0 HE ARG A 128 15.303 -13.308 3.777 1.00 1.81 H new ATOM 0 HH11 ARG A 128 15.726 -10.035 2.523 1.00 2.45 H new ATOM 0 HH12 ARG A 128 17.455 -9.994 2.882 1.00 2.45 H new ATOM 0 HH21 ARG A 128 17.531 -13.246 4.253 1.00 3.17 H new ATOM 0 HH22 ARG A 128 18.475 -11.806 3.858 1.00 3.17 H new ATOM 1897 N SER A 129 12.066 -15.788 2.514 1.00 0.42 N ATOM 1898 CA SER A 129 11.850 -16.898 3.415 1.00 0.44 C ATOM 1899 C SER A 129 10.829 -17.866 2.815 1.00 0.41 C ATOM 1900 O SER A 129 11.197 -18.981 2.445 1.00 0.44 O ATOM 1901 CB SER A 129 11.446 -16.412 4.812 1.00 0.48 C ATOM 1902 OG SER A 129 12.419 -15.523 5.333 1.00 1.23 O ATOM 0 H SER A 129 11.555 -14.937 2.748 1.00 0.42 H new ATOM 0 HA SER A 129 12.787 -17.440 3.540 1.00 0.44 H new ATOM 0 HB2 SER A 129 10.479 -15.912 4.763 1.00 0.48 H new ATOM 0 HB3 SER A 129 11.331 -17.265 5.480 1.00 0.48 H new ATOM 0 HG SER A 129 12.143 -15.222 6.224 1.00 1.23 H new ATOM 1908 N PRO A 130 9.542 -17.475 2.680 1.00 0.37 N ATOM 1909 CA PRO A 130 8.540 -18.300 2.045 1.00 0.36 C ATOM 1910 C PRO A 130 8.192 -17.805 0.649 1.00 0.32 C ATOM 1911 O PRO A 130 7.878 -16.634 0.468 1.00 0.27 O ATOM 1912 CB PRO A 130 7.321 -18.072 2.952 1.00 0.37 C ATOM 1913 CG PRO A 130 7.627 -16.821 3.733 1.00 0.37 C ATOM 1914 CD PRO A 130 8.900 -16.260 3.158 1.00 0.37 C ATOM 0 HA PRO A 130 8.865 -19.334 1.934 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.411 -17.954 2.364 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.163 -18.921 3.617 1.00 0.37 H new ATOM 0 HG2 PRO A 130 6.813 -16.101 3.648 1.00 0.37 H new ATOM 0 HG3 PRO A 130 7.745 -17.045 4.793 1.00 0.37 H new ATOM 0 HD2 PRO A 130 8.712 -15.548 2.354 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.499 -15.743 3.907 1.00 0.37 H new ATOM 1922 N TYR A 131 8.248 -18.675 -0.336 1.00 0.33 N ATOM 1923 CA TYR A 131 7.605 -18.391 -1.603 1.00 0.32 C ATOM 1924 C TYR A 131 6.136 -18.090 -1.334 1.00 0.30 C ATOM 1925 O TYR A 131 5.328 -18.996 -1.105 1.00 0.32 O ATOM 1926 CB TYR A 131 7.754 -19.567 -2.579 1.00 0.36 C ATOM 1927 CG TYR A 131 7.060 -19.356 -3.914 1.00 0.45 C ATOM 1928 CD1 TYR A 131 5.705 -19.619 -4.064 1.00 0.78 C ATOM 1929 CD2 TYR A 131 7.765 -18.907 -5.027 1.00 1.00 C ATOM 1930 CE1 TYR A 131 5.074 -19.447 -5.282 1.00 0.87 C ATOM 1931 CE2 TYR A 131 7.143 -18.727 -6.246 1.00 1.14 C ATOM 1932 CZ TYR A 131 5.777 -18.941 -6.349 1.00 0.81 C ATOM 1933 OH TYR A 131 5.185 -18.842 -7.591 1.00 1.00 O ATOM 0 H TYR A 131 8.726 -19.575 -0.287 1.00 0.33 H new ATOM 0 HA TYR A 131 8.082 -17.530 -2.071 1.00 0.32 H new ATOM 0 HB2 TYR A 131 8.814 -19.746 -2.757 1.00 0.36 H new ATOM 0 HB3 TYR A 131 7.353 -20.466 -2.111 1.00 0.36 H new ATOM 0 HD1 TYR A 131 5.134 -19.964 -3.215 1.00 0.78 H new ATOM 0 HD2 TYR A 131 8.820 -18.695 -4.935 1.00 1.00 H new ATOM 0 HE1 TYR A 131 4.032 -19.709 -5.395 1.00 0.87 H new ATOM 0 HE2 TYR A 131 7.714 -18.423 -7.110 1.00 1.14 H new ATOM 0 HH TYR A 131 4.221 -18.702 -7.484 1.00 1.00 H new ATOM 1943 N ILE A 132 5.821 -16.807 -1.293 1.00 0.27 N ATOM 1944 CA ILE A 132 4.477 -16.359 -1.004 1.00 0.26 C ATOM 1945 C ILE A 132 3.539 -16.791 -2.124 1.00 0.25 C ATOM 1946 O ILE A 132 3.842 -16.582 -3.297 1.00 0.25 O ATOM 1947 CB ILE A 132 4.415 -14.821 -0.854 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.445 -14.308 0.146 1.00 0.39 C ATOM 1949 CG2 ILE A 132 3.028 -14.391 -0.436 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.385 -14.960 1.499 1.00 0.23 C ATOM 0 H ILE A 132 6.488 -16.053 -1.459 1.00 0.27 H new ATOM 0 HA ILE A 132 4.169 -16.810 -0.061 1.00 0.26 H new ATOM 0 HB ILE A 132 4.650 -14.387 -1.826 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.441 -14.457 -0.270 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.308 -13.234 0.269 1.00 0.39 H new ATOM 0 HG21 ILE A 132 2.999 -13.306 -0.334 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.307 -14.704 -1.191 1.00 0.26 H new ATOM 0 HG23 ILE A 132 2.777 -14.852 0.519 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.153 -14.533 2.143 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.404 -14.789 1.942 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.554 -16.032 1.394 1.00 0.23 H new ATOM 1962 N PRO A 133 2.407 -17.427 -1.779 1.00 0.27 N ATOM 1963 CA PRO A 133 1.431 -17.901 -2.763 1.00 0.28 C ATOM 1964 C PRO A 133 0.980 -16.796 -3.719 1.00 0.26 C ATOM 1965 O PRO A 133 0.825 -15.635 -3.323 1.00 0.26 O ATOM 1966 CB PRO A 133 0.248 -18.393 -1.912 1.00 0.34 C ATOM 1967 CG PRO A 133 0.500 -17.880 -0.533 1.00 0.61 C ATOM 1968 CD PRO A 133 1.988 -17.734 -0.406 1.00 0.31 C ATOM 0 HA PRO A 133 1.855 -18.675 -3.402 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.698 -18.017 -2.302 1.00 0.34 H new ATOM 0 HB3 PRO A 133 0.186 -19.481 -1.920 1.00 0.34 H new ATOM 0 HG2 PRO A 133 0.000 -16.924 -0.376 1.00 0.61 H new ATOM 0 HG3 PRO A 133 0.111 -18.570 0.216 1.00 0.61 H new ATOM 0 HD2 PRO A 133 2.258 -16.937 0.286 1.00 0.31 H new ATOM 0 HD3 PRO A 133 2.453 -18.648 -0.037 1.00 0.31 H new ATOM 1976 N PRO A 134 0.787 -17.135 -5.001 1.00 0.27 N ATOM 1977 CA PRO A 134 0.349 -16.173 -6.009 1.00 0.25 C ATOM 1978 C PRO A 134 -0.980 -15.524 -5.656 1.00 0.27 C ATOM 1979 O PRO A 134 -1.940 -16.204 -5.286 1.00 0.32 O ATOM 1980 CB PRO A 134 0.203 -17.006 -7.280 1.00 0.29 C ATOM 1981 CG PRO A 134 1.056 -18.205 -7.051 1.00 0.52 C ATOM 1982 CD PRO A 134 1.002 -18.472 -5.573 1.00 0.33 C ATOM 0 HA PRO A 134 1.058 -15.350 -6.104 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -0.836 -17.287 -7.451 1.00 0.29 H new ATOM 0 HB3 PRO A 134 0.531 -16.449 -8.158 1.00 0.29 H new ATOM 0 HG2 PRO A 134 0.687 -19.061 -7.616 1.00 0.52 H new ATOM 0 HG3 PRO A 134 2.080 -18.024 -7.378 1.00 0.52 H new ATOM 0 HD2 PRO A 134 0.193 -19.155 -5.316 1.00 0.33 H new ATOM 0 HD3 PRO A 134 1.926 -18.922 -5.210 1.00 0.33 H new ATOM 1990 N HIS A 135 -1.001 -14.201 -5.759 1.00 0.26 N ATOM 1991 CA HIS A 135 -2.212 -13.389 -5.553 1.00 0.31 C ATOM 1992 C HIS A 135 -2.607 -13.297 -4.077 1.00 0.32 C ATOM 1993 O HIS A 135 -3.690 -12.806 -3.748 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.402 -13.921 -6.367 1.00 0.41 C ATOM 1995 CG HIS A 135 -3.153 -14.004 -7.842 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -3.826 -14.880 -8.667 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -2.293 -13.328 -8.639 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -3.391 -14.742 -9.902 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -2.462 -13.807 -9.912 1.00 2.25 N ATOM 0 H HIS A 135 -0.175 -13.649 -5.990 1.00 0.26 H new ATOM 0 HA HIS A 135 -1.961 -12.388 -5.905 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.665 -14.913 -5.999 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -4.264 -13.277 -6.192 1.00 0.41 H new ATOM 0 HD2 HIS A 135 -1.603 -12.556 -8.330 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -3.736 -15.300 -10.760 1.00 2.38 H new ATOM 0 HE2 HIS A 135 -1.950 -13.490 -10.736 1.00 2.25 H new ATOM 2008 N ALA A 136 -1.737 -13.761 -3.191 1.00 0.24 N ATOM 2009 CA ALA A 136 -1.966 -13.609 -1.761 1.00 0.24 C ATOM 2010 C ALA A 136 -1.726 -12.156 -1.366 1.00 0.21 C ATOM 2011 O ALA A 136 -0.688 -11.590 -1.690 1.00 0.22 O ATOM 2012 CB ALA A 136 -1.060 -14.544 -0.976 1.00 0.26 C ATOM 0 H ALA A 136 -0.872 -14.243 -3.435 1.00 0.24 H new ATOM 0 HA ALA A 136 -2.997 -13.873 -1.527 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -1.244 -14.418 0.091 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -1.268 -15.576 -1.260 1.00 0.26 H new ATOM 0 HB3 ALA A 136 -0.018 -14.310 -1.195 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.685 -11.546 -0.689 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.591 -10.131 -0.376 1.00 0.19 C ATOM 2020 C ALA A 137 -1.584 -9.897 0.743 1.00 0.16 C ATOM 2021 O ALA A 137 -1.824 -10.249 1.897 1.00 0.20 O ATOM 2022 CB ALA A 137 -3.954 -9.579 0.013 1.00 0.22 C ATOM 0 H ALA A 137 -3.530 -12.004 -0.348 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.246 -9.605 -1.266 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.864 -8.518 0.244 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.650 -9.712 -0.815 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.325 -10.111 0.889 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.476 -9.266 0.394 1.00 0.13 N ATOM 2029 CA LEU A 138 0.603 -9.031 1.334 1.00 0.12 C ATOM 2030 C LEU A 138 0.381 -7.722 2.071 1.00 0.13 C ATOM 2031 O LEU A 138 0.120 -6.691 1.457 1.00 0.15 O ATOM 2032 CB LEU A 138 1.947 -8.979 0.596 1.00 0.13 C ATOM 2033 CG LEU A 138 3.040 -9.873 1.168 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.637 -11.324 1.072 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.357 -9.633 0.456 1.00 0.19 C ATOM 0 H LEU A 138 -0.301 -8.905 -0.544 1.00 0.13 H new ATOM 0 HA LEU A 138 0.619 -9.850 2.053 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.782 -9.256 -0.445 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.304 -7.949 0.599 1.00 0.13 H new ATOM 0 HG LEU A 138 3.174 -9.622 2.220 1.00 0.15 H new ATOM 0 HD11 LEU A 138 3.428 -11.950 1.485 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.717 -11.484 1.635 1.00 0.22 H new ATOM 0 HD13 LEU A 138 2.474 -11.588 0.027 1.00 0.22 H new ATOM 0 HD21 LEU A 138 5.123 -10.282 0.880 1.00 0.19 H new ATOM 0 HD22 LEU A 138 4.242 -9.853 -0.605 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.653 -8.592 0.581 1.00 0.19 H new ATOM 2047 N CYS A 139 0.495 -7.764 3.381 1.00 0.13 N ATOM 2048 CA CYS A 139 0.349 -6.573 4.190 1.00 0.14 C ATOM 2049 C CYS A 139 1.622 -6.321 4.983 1.00 0.13 C ATOM 2050 O CYS A 139 1.885 -6.957 6.004 1.00 0.14 O ATOM 2051 CB CYS A 139 -0.871 -6.709 5.098 1.00 0.18 C ATOM 2052 SG CYS A 139 -0.994 -5.457 6.390 1.00 1.20 S ATOM 0 H CYS A 139 0.689 -8.614 3.910 1.00 0.13 H new ATOM 0 HA CYS A 139 0.188 -5.709 3.545 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.770 -6.667 4.484 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -0.851 -7.693 5.566 1.00 0.18 H new ATOM 0 HG CYS A 139 -2.064 -5.667 7.097 1.00 1.20 H new ATOM 2058 N LEU A 140 2.414 -5.396 4.483 1.00 0.13 N ATOM 2059 CA LEU A 140 3.734 -5.120 5.027 1.00 0.14 C ATOM 2060 C LEU A 140 3.789 -3.776 5.741 1.00 0.13 C ATOM 2061 O LEU A 140 3.247 -2.779 5.266 1.00 0.12 O ATOM 2062 CB LEU A 140 4.766 -5.162 3.908 1.00 0.17 C ATOM 2063 CG LEU A 140 4.449 -4.288 2.703 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.400 -3.106 2.658 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.526 -5.099 1.420 1.00 0.32 C ATOM 0 H LEU A 140 2.163 -4.811 3.686 1.00 0.13 H new ATOM 0 HA LEU A 140 3.958 -5.889 5.767 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.731 -4.858 4.314 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.872 -6.193 3.571 1.00 0.17 H new ATOM 0 HG LEU A 140 3.431 -3.910 2.797 1.00 0.17 H new ATOM 0 HD11 LEU A 140 5.168 -2.485 1.793 1.00 0.26 H new ATOM 0 HD12 LEU A 140 5.291 -2.516 3.568 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.426 -3.467 2.580 1.00 0.26 H new ATOM 0 HD21 LEU A 140 4.296 -4.457 0.569 1.00 0.32 H new ATOM 0 HD22 LEU A 140 5.531 -5.506 1.307 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.806 -5.916 1.462 1.00 0.32 H new ATOM 2077 N GLU A 141 4.433 -3.768 6.893 1.00 0.14 N ATOM 2078 CA GLU A 141 4.617 -2.557 7.671 1.00 0.13 C ATOM 2079 C GLU A 141 6.038 -2.039 7.445 1.00 0.12 C ATOM 2080 O GLU A 141 7.007 -2.737 7.736 1.00 0.15 O ATOM 2081 CB GLU A 141 4.366 -2.885 9.143 1.00 0.18 C ATOM 2082 CG GLU A 141 4.568 -1.734 10.106 1.00 0.26 C ATOM 2083 CD GLU A 141 4.353 -2.174 11.543 1.00 0.30 C ATOM 2084 OE1 GLU A 141 3.271 -2.708 11.851 1.00 1.00 O ATOM 2085 OE2 GLU A 141 5.265 -1.964 12.374 1.00 1.05 O ATOM 0 H GLU A 141 4.843 -4.601 7.316 1.00 0.14 H new ATOM 0 HA GLU A 141 3.918 -1.779 7.365 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.344 -3.250 9.248 1.00 0.18 H new ATOM 0 HB3 GLU A 141 5.027 -3.701 9.434 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.576 -1.334 9.993 1.00 0.26 H new ATOM 0 HG3 GLU A 141 3.876 -0.928 9.863 1.00 0.26 H new ATOM 2092 N VAL A 142 6.159 -0.838 6.894 1.00 0.12 N ATOM 2093 CA VAL A 142 7.460 -0.303 6.502 1.00 0.12 C ATOM 2094 C VAL A 142 7.798 1.016 7.193 1.00 0.12 C ATOM 2095 O VAL A 142 7.093 2.010 7.041 1.00 0.15 O ATOM 2096 CB VAL A 142 7.558 -0.114 4.972 1.00 0.14 C ATOM 2097 CG1 VAL A 142 8.136 -1.352 4.321 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.195 0.195 4.374 1.00 0.19 C ATOM 0 H VAL A 142 5.373 -0.215 6.708 1.00 0.12 H new ATOM 0 HA VAL A 142 8.188 -1.047 6.826 1.00 0.12 H new ATOM 0 HB VAL A 142 8.220 0.730 4.781 1.00 0.14 H new ATOM 0 HG11 VAL A 142 8.198 -1.201 3.243 1.00 0.19 H new ATOM 0 HG12 VAL A 142 9.133 -1.540 4.719 1.00 0.19 H new ATOM 0 HG13 VAL A 142 7.494 -2.207 4.531 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.291 0.324 3.296 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.511 -0.628 4.582 1.00 0.19 H new ATOM 0 HG23 VAL A 142 5.803 1.112 4.815 1.00 0.19 H new ATOM 2108 N THR A 143 8.877 1.000 7.971 1.00 0.13 N ATOM 2109 CA THR A 143 9.428 2.211 8.569 1.00 0.13 C ATOM 2110 C THR A 143 10.475 2.835 7.648 1.00 0.12 C ATOM 2111 O THR A 143 11.565 2.277 7.475 1.00 0.15 O ATOM 2112 CB THR A 143 10.109 1.910 9.927 1.00 0.17 C ATOM 2113 OG1 THR A 143 9.331 0.952 10.657 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.249 3.182 10.757 1.00 0.22 C ATOM 0 H THR A 143 9.392 0.151 8.204 1.00 0.13 H new ATOM 0 HA THR A 143 8.595 2.898 8.721 1.00 0.13 H new ATOM 0 HB THR A 143 11.103 1.508 9.730 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.766 0.763 11.515 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.730 2.946 11.706 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.855 3.906 10.213 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.262 3.604 10.945 1.00 0.22 H new ATOM 2122 N LEU A 144 10.150 3.969 7.053 1.00 0.13 N ATOM 2123 CA LEU A 144 11.124 4.725 6.283 1.00 0.12 C ATOM 2124 C LEU A 144 11.935 5.570 7.237 1.00 0.12 C ATOM 2125 O LEU A 144 11.473 6.585 7.735 1.00 0.14 O ATOM 2126 CB LEU A 144 10.431 5.594 5.235 1.00 0.14 C ATOM 2127 CG LEU A 144 11.361 6.369 4.300 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.322 5.422 3.598 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.547 7.142 3.278 1.00 0.13 C ATOM 0 H LEU A 144 9.220 4.387 7.088 1.00 0.13 H new ATOM 0 HA LEU A 144 11.784 4.041 5.749 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.785 4.957 4.630 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.785 6.306 5.749 1.00 0.14 H new ATOM 0 HG LEU A 144 11.943 7.073 4.895 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.976 5.991 2.937 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.924 4.898 4.341 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.756 4.697 3.013 1.00 0.15 H new ATOM 0 HD21 LEU A 144 11.219 7.690 2.617 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.947 6.447 2.690 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.890 7.844 3.792 1.00 0.13 H new ATOM 2141 N LYS A 145 13.136 5.118 7.509 1.00 0.14 N ATOM 2142 CA LYS A 145 13.943 5.708 8.555 1.00 0.17 C ATOM 2143 C LYS A 145 15.025 6.593 7.969 1.00 0.16 C ATOM 2144 O LYS A 145 15.573 7.458 8.652 1.00 0.21 O ATOM 2145 CB LYS A 145 14.543 4.586 9.394 1.00 0.26 C ATOM 2146 CG LYS A 145 13.508 3.536 9.733 1.00 0.40 C ATOM 2147 CD LYS A 145 14.105 2.279 10.333 1.00 0.60 C ATOM 2148 CE LYS A 145 15.049 1.588 9.369 1.00 0.38 C ATOM 2149 NZ LYS A 145 14.486 1.501 7.998 1.00 1.08 N ATOM 0 H LYS A 145 13.579 4.341 7.019 1.00 0.14 H new ATOM 0 HA LYS A 145 13.321 6.342 9.187 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.367 4.124 8.851 1.00 0.26 H new ATOM 0 HB3 LYS A 145 14.959 4.999 10.313 1.00 0.26 H new ATOM 0 HG2 LYS A 145 12.788 3.958 10.434 1.00 0.40 H new ATOM 0 HG3 LYS A 145 12.957 3.273 8.830 1.00 0.40 H new ATOM 0 HD2 LYS A 145 14.641 2.532 11.248 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.304 1.594 10.612 1.00 0.60 H new ATOM 0 HE2 LYS A 145 15.994 2.130 9.338 1.00 0.38 H new ATOM 0 HE3 LYS A 145 15.268 0.585 9.734 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 14.854 0.651 7.525 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 13.449 1.446 8.051 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 14.761 2.345 7.456 1.00 1.08 H new ATOM 2163 N THR A 146 15.330 6.377 6.698 1.00 0.16 N ATOM 2164 CA THR A 146 16.379 7.130 6.041 1.00 0.19 C ATOM 2165 C THR A 146 16.177 7.151 4.527 1.00 0.17 C ATOM 2166 O THR A 146 15.700 6.176 3.945 1.00 0.16 O ATOM 2167 CB THR A 146 17.758 6.514 6.345 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.906 6.281 7.752 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.884 7.409 5.864 1.00 0.37 C ATOM 0 H THR A 146 14.866 5.688 6.106 1.00 0.16 H new ATOM 0 HA THR A 146 16.335 8.150 6.424 1.00 0.19 H new ATOM 0 HB THR A 146 17.815 5.566 5.810 1.00 0.25 H new ATOM 0 HG1 THR A 146 18.786 5.888 7.928 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.842 6.944 6.095 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.800 7.552 4.787 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.820 8.375 6.364 1.00 0.37 H new ATOM 2177 N ALA A 147 16.534 8.270 3.904 1.00 0.20 N ATOM 2178 CA ALA A 147 16.521 8.397 2.455 1.00 0.19 C ATOM 2179 C ALA A 147 17.734 9.202 2.012 1.00 0.22 C ATOM 2180 O ALA A 147 17.978 10.285 2.540 1.00 0.25 O ATOM 2181 CB ALA A 147 15.235 9.074 1.999 1.00 0.21 C ATOM 0 H ALA A 147 16.840 9.112 4.391 1.00 0.20 H new ATOM 0 HA ALA A 147 16.564 7.407 2.002 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.236 9.164 0.913 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.379 8.477 2.313 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.168 10.066 2.445 1.00 0.21 H new ATOM 2187 N VAL A 148 18.503 8.686 1.058 1.00 0.24 N ATOM 2188 CA VAL A 148 19.705 9.384 0.619 1.00 0.31 C ATOM 2189 C VAL A 148 19.670 9.623 -0.887 1.00 0.34 C ATOM 2190 O VAL A 148 19.443 8.700 -1.671 1.00 0.36 O ATOM 2191 CB VAL A 148 20.999 8.624 1.019 1.00 0.42 C ATOM 2192 CG1 VAL A 148 21.029 8.375 2.520 1.00 0.92 C ATOM 2193 CG2 VAL A 148 21.142 7.304 0.275 1.00 0.75 C ATOM 0 H VAL A 148 18.320 7.803 0.582 1.00 0.24 H new ATOM 0 HA VAL A 148 19.722 10.348 1.128 1.00 0.31 H new ATOM 0 HB VAL A 148 21.841 9.257 0.738 1.00 0.42 H new ATOM 0 HG11 VAL A 148 21.943 7.842 2.782 1.00 0.92 H new ATOM 0 HG12 VAL A 148 21.001 9.328 3.048 1.00 0.92 H new ATOM 0 HG13 VAL A 148 20.164 7.776 2.807 1.00 0.92 H new ATOM 0 HG21 VAL A 148 22.061 6.808 0.587 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.289 6.664 0.502 1.00 0.75 H new ATOM 0 HG23 VAL A 148 21.178 7.493 -0.798 1.00 0.75 H new