USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=33 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 40:sc= -0.965 USER MOD Set 1.2: A 145 LYS NZ :NH3+ -156:sc= -0.328 (180deg=-2.35) USER MOD Set 1.3: A 146 THR OG1 : rot 180:sc= -0.266 USER MOD Set 2.1: A 81 GLN : amide:sc= -0.084 K(o=-0.51,f=-1.9!) USER MOD Set 2.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 127 SER OG : rot 80:sc= -0.429 USER MOD Set 3.1: A 113 MET CE :methyl -179:sc= 0 (180deg=-0.000954) USER MOD Set 3.2: A 115 THR OG1 : rot 117:sc= 0.856 USER MOD Set 3.3: A 139 CYS SG : rot 180:sc= -0.795 USER MOD Set 4.1: A 111 THR OG1 : rot 180:sc= -0.923 USER MOD Set 4.2: A 143 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 93 CYS SG : rot 180:sc= 1.04 USER MOD Set 5.2: A 97 GLN :FLIP amide:sc= 1.02 F(o=-0.58!,f=2.1) USER MOD Set 6.1: A 42 ASN :FLIP amide:sc= -2.92! C(o=-4.3!,f=-2.9!) USER MOD Set 6.2: A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 0.00238 (180deg=-0.298) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= 0.25 (180deg=0.121) USER MOD Single : A 49 THR OG1 : rot 47:sc= 0.0836 USER MOD Single : A 57 SER OG : rot -124:sc= 0.256 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -121:sc= -0.49 (180deg=-3.62!) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.275 F(o=-4.7!,f=-0.27) USER MOD Single : A 69 HIS : no HE2:sc= -10.1! C(o=-10!,f=-11!) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.67! C(o=-7.5!,f=-1.7!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0854 USER MOD Single : A 73 SER OG : rot 72:sc= 1.01 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) 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 -130:sc= -0.778 USER MOD Single : A 106 MET CE :methyl -115:sc= -4.23! (180deg=-6.28!) USER MOD Single : A 118 SER OG : rot 178:sc= -0.0907 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 CYS SG : rot 81:sc= -1.6 USER MOD Single : A 125 GLN : amide:sc= -1.35 X(o=-1.3,f=-1.8) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 489 N TRP A 36 -7.802 0.727 2.095 1.00 0.53 N ATOM 490 CA TRP A 36 -7.294 2.092 2.220 1.00 0.45 C ATOM 491 C TRP A 36 -7.043 2.707 0.849 1.00 0.46 C ATOM 492 O TRP A 36 -7.620 2.288 -0.152 1.00 0.52 O ATOM 493 CB TRP A 36 -5.984 2.104 3.015 1.00 0.38 C ATOM 494 CG TRP A 36 -5.892 1.016 4.029 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.744 0.793 5.071 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.889 -0.002 4.098 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.339 -0.309 5.779 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.202 -0.812 5.205 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.751 -0.312 3.334 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.428 -1.913 5.562 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -2.997 -1.400 3.696 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.332 -2.187 4.796 1.00 0.19 C ATOM 0 HA TRP A 36 -8.049 2.678 2.744 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -5.147 2.015 2.322 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -5.882 3.066 3.517 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.610 1.396 5.304 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.808 -0.692 6.600 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.476 0.292 2.482 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.685 -2.527 6.413 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -2.123 -1.652 3.114 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.710 -3.033 5.048 1.00 0.19 H new ATOM 513 N LEU A 37 -6.161 3.697 0.820 1.00 0.43 N ATOM 514 CA LEU A 37 -5.818 4.398 -0.406 1.00 0.42 C ATOM 515 C LEU A 37 -5.013 3.500 -1.328 1.00 0.37 C ATOM 516 O LEU A 37 -3.872 3.148 -1.014 1.00 0.35 O ATOM 517 CB LEU A 37 -4.996 5.641 -0.068 1.00 0.45 C ATOM 518 CG LEU A 37 -4.519 6.473 -1.260 1.00 0.46 C ATOM 519 CD1 LEU A 37 -5.698 7.085 -1.997 1.00 0.49 C ATOM 520 CD2 LEU A 37 -3.559 7.560 -0.798 1.00 0.50 C ATOM 0 H LEU A 37 -5.665 4.035 1.645 1.00 0.43 H new ATOM 0 HA LEU A 37 -6.739 4.686 -0.912 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -5.593 6.282 0.581 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -4.123 5.330 0.506 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.992 5.812 -1.949 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -5.335 7.672 -2.841 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -6.351 6.292 -2.361 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -6.256 7.731 -1.319 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -3.229 8.143 -1.658 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -4.065 8.215 -0.088 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -2.695 7.102 -0.317 1.00 0.50 H new ATOM 532 N ASP A 38 -5.600 3.115 -2.448 1.00 0.38 N ATOM 533 CA ASP A 38 -4.874 2.317 -3.416 1.00 0.41 C ATOM 534 C ASP A 38 -3.846 3.161 -4.142 1.00 0.39 C ATOM 535 O ASP A 38 -4.135 4.258 -4.623 1.00 0.44 O ATOM 536 CB ASP A 38 -5.797 1.652 -4.424 1.00 0.56 C ATOM 537 CG ASP A 38 -5.089 0.532 -5.158 1.00 1.78 C ATOM 538 OD1 ASP A 38 -4.449 0.788 -6.191 1.00 2.14 O ATOM 539 OD2 ASP A 38 -5.176 -0.618 -4.711 1.00 2.51 O ATOM 0 H ASP A 38 -6.561 3.338 -2.706 1.00 0.38 H new ATOM 0 HA ASP A 38 -4.369 1.529 -2.858 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.675 1.257 -3.912 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -6.152 2.393 -5.140 1.00 0.56 H new ATOM 544 N ILE A 39 -2.647 2.626 -4.209 1.00 0.38 N ATOM 545 CA ILE A 39 -1.513 3.291 -4.820 1.00 0.38 C ATOM 546 C ILE A 39 -1.728 3.480 -6.319 1.00 0.39 C ATOM 547 O ILE A 39 -1.318 4.488 -6.902 1.00 0.46 O ATOM 548 CB ILE A 39 -0.231 2.473 -4.564 1.00 0.39 C ATOM 549 CG1 ILE A 39 -0.039 2.276 -3.052 1.00 0.40 C ATOM 550 CG2 ILE A 39 0.986 3.128 -5.199 1.00 0.41 C ATOM 551 CD1 ILE A 39 1.369 1.881 -2.639 1.00 0.43 C ATOM 0 H ILE A 39 -2.427 1.703 -3.835 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.408 4.278 -4.370 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.341 1.496 -5.034 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.307 3.201 -2.542 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -0.733 1.509 -2.708 1.00 0.40 H new ATOM 0 HG21 ILE A 39 1.871 2.524 -4.998 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.837 3.206 -6.276 1.00 0.41 H new ATOM 0 HG23 ILE A 39 1.124 4.124 -4.779 1.00 0.41 H new ATOM 0 HD11 ILE A 39 1.411 1.764 -1.556 1.00 0.43 H new ATOM 0 HD12 ILE A 39 1.637 0.939 -3.117 1.00 0.43 H new ATOM 0 HD13 ILE A 39 2.070 2.657 -2.948 1.00 0.43 H new ATOM 563 N LEU A 40 -2.405 2.522 -6.930 1.00 0.39 N ATOM 564 CA LEU A 40 -2.683 2.567 -8.357 1.00 0.49 C ATOM 565 C LEU A 40 -4.153 2.874 -8.583 1.00 0.49 C ATOM 566 O LEU A 40 -4.614 3.020 -9.718 1.00 0.62 O ATOM 567 CB LEU A 40 -2.306 1.233 -9.007 1.00 0.56 C ATOM 568 CG LEU A 40 -0.862 0.783 -8.772 1.00 0.59 C ATOM 569 CD1 LEU A 40 -0.630 -0.582 -9.397 1.00 0.62 C ATOM 570 CD2 LEU A 40 0.108 1.802 -9.348 1.00 0.72 C ATOM 0 H LEU A 40 -2.775 1.698 -6.456 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.086 3.355 -8.816 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -2.977 0.461 -8.631 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -2.477 1.308 -10.081 1.00 0.56 H new ATOM 0 HG LEU A 40 -0.688 0.708 -7.699 1.00 0.59 H new ATOM 0 HD11 LEU A 40 0.401 -0.891 -9.223 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -1.307 -1.308 -8.947 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -0.816 -0.528 -10.470 1.00 0.62 H new ATOM 0 HD21 LEU A 40 1.131 1.469 -9.174 1.00 0.72 H new ATOM 0 HD22 LEU A 40 -0.063 1.902 -10.420 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.047 2.766 -8.864 1.00 0.72 H new ATOM 582 N GLY A 41 -4.876 2.986 -7.477 1.00 0.43 N ATOM 583 CA GLY A 41 -6.307 3.174 -7.520 1.00 0.51 C ATOM 584 C GLY A 41 -7.018 1.984 -8.137 1.00 0.45 C ATOM 585 O GLY A 41 -8.125 2.118 -8.660 1.00 0.52 O ATOM 0 H GLY A 41 -4.485 2.949 -6.536 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -6.682 3.336 -6.509 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -6.538 4.072 -8.094 1.00 0.51 H new ATOM 589 N ASN A 42 -6.380 0.820 -8.078 1.00 0.39 N ATOM 590 CA ASN A 42 -6.950 -0.383 -8.681 1.00 0.42 C ATOM 591 C ASN A 42 -7.629 -1.291 -7.647 1.00 0.43 C ATOM 592 O ASN A 42 -8.584 -1.993 -7.975 1.00 0.56 O ATOM 593 CB ASN A 42 -5.909 -1.148 -9.531 1.00 0.49 C ATOM 594 CG ASN A 42 -4.853 -1.944 -8.766 1.00 0.55 C ATOM 595 OD1 ASN A 42 -4.423 -1.475 -7.610 1.00 0.95 O flip ATOM 596 ND2 ASN A 42 -4.399 -2.980 -9.245 1.00 0.44 N flip ATOM 0 H ASN A 42 -5.477 0.682 -7.624 1.00 0.39 H new ATOM 0 HA ASN A 42 -7.735 -0.050 -9.360 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -6.444 -1.834 -10.188 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -5.397 -0.429 -10.170 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -4.747 -3.323 -10.140 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -3.674 -3.497 -8.747 1.00 0.44 H new ATOM 603 N GLY A 43 -7.142 -1.284 -6.409 1.00 0.40 N ATOM 604 CA GLY A 43 -7.833 -1.984 -5.333 1.00 0.50 C ATOM 605 C GLY A 43 -7.007 -3.117 -4.761 1.00 0.45 C ATOM 606 O GLY A 43 -7.422 -3.789 -3.816 1.00 0.72 O ATOM 0 H GLY A 43 -6.284 -0.808 -6.129 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -8.075 -1.277 -4.539 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -8.778 -2.379 -5.707 1.00 0.50 H new ATOM 610 N LEU A 44 -5.824 -3.307 -5.324 1.00 0.29 N ATOM 611 CA LEU A 44 -4.947 -4.412 -4.955 1.00 0.36 C ATOM 612 C LEU A 44 -3.840 -3.944 -4.018 1.00 0.25 C ATOM 613 O LEU A 44 -3.411 -4.663 -3.119 1.00 0.27 O ATOM 614 CB LEU A 44 -4.300 -5.010 -6.215 1.00 0.60 C ATOM 615 CG LEU A 44 -5.226 -5.807 -7.143 1.00 0.51 C ATOM 616 CD1 LEU A 44 -6.365 -4.958 -7.690 1.00 1.46 C ATOM 617 CD2 LEU A 44 -4.431 -6.403 -8.284 1.00 1.56 C ATOM 0 H LEU A 44 -5.443 -2.700 -6.050 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.553 -5.162 -4.447 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -3.857 -4.197 -6.790 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -3.484 -5.662 -5.904 1.00 0.60 H new ATOM 0 HG LEU A 44 -5.671 -6.605 -6.549 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -6.992 -5.567 -8.341 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -6.964 -4.576 -6.863 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -5.956 -4.123 -8.258 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -5.098 -6.967 -8.937 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -3.956 -5.604 -8.853 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -3.665 -7.069 -7.885 1.00 1.56 H new ATOM 629 N LEU A 45 -3.374 -2.739 -4.271 1.00 0.23 N ATOM 630 CA LEU A 45 -2.187 -2.198 -3.637 1.00 0.22 C ATOM 631 C LEU A 45 -2.501 -0.899 -2.900 1.00 0.22 C ATOM 632 O LEU A 45 -2.660 0.139 -3.521 1.00 0.32 O ATOM 633 CB LEU A 45 -1.143 -1.984 -4.724 1.00 0.30 C ATOM 634 CG LEU A 45 0.009 -1.061 -4.368 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.707 -1.543 -3.112 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.975 -0.977 -5.535 1.00 0.31 C ATOM 0 H LEU A 45 -3.814 -2.098 -4.931 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.807 -2.892 -2.887 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -0.732 -2.955 -5.002 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -1.643 -1.585 -5.607 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.379 -0.062 -4.167 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.530 -0.870 -2.872 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -0.002 -1.559 -2.285 1.00 0.28 H new ATOM 0 HD13 LEU A 45 1.096 -2.548 -3.275 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.801 -0.314 -5.277 1.00 0.31 H new ATOM 0 HD22 LEU A 45 1.364 -1.971 -5.758 1.00 0.31 H new ATOM 0 HD23 LEU A 45 0.456 -0.586 -6.410 1.00 0.31 H new ATOM 648 N ARG A 46 -2.572 -0.953 -1.577 1.00 0.20 N ATOM 649 CA ARG A 46 -3.063 0.181 -0.792 1.00 0.22 C ATOM 650 C ARG A 46 -2.141 0.502 0.380 1.00 0.19 C ATOM 651 O ARG A 46 -1.680 -0.401 1.068 1.00 0.19 O ATOM 652 CB ARG A 46 -4.446 -0.167 -0.276 1.00 0.25 C ATOM 653 CG ARG A 46 -5.339 -0.734 -1.372 1.00 0.36 C ATOM 654 CD ARG A 46 -6.669 -1.211 -0.835 1.00 0.37 C ATOM 655 NE ARG A 46 -6.496 -2.235 0.199 1.00 0.54 N ATOM 656 CZ ARG A 46 -7.215 -3.356 0.272 1.00 0.75 C ATOM 657 NH1 ARG A 46 -8.054 -3.688 -0.704 1.00 1.14 N ATOM 658 NH2 ARG A 46 -7.084 -4.158 1.319 1.00 0.99 N ATOM 0 H ARG A 46 -2.298 -1.764 -1.023 1.00 0.20 H new ATOM 0 HA ARG A 46 -3.094 1.065 -1.429 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.359 -0.893 0.532 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.911 0.725 0.145 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.508 0.029 -2.131 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -4.828 -1.563 -1.862 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -7.220 -0.366 -0.423 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.268 -1.615 -1.651 1.00 0.37 H new ATOM 0 HE ARG A 46 -5.780 -2.080 0.908 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -8.153 -3.083 -1.519 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -8.599 -4.548 -0.638 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.434 -3.918 2.067 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -7.633 -5.016 1.376 1.00 0.99 H new ATOM 672 N LYS A 47 -1.911 1.790 0.623 1.00 0.20 N ATOM 673 CA LYS A 47 -0.985 2.232 1.661 1.00 0.17 C ATOM 674 C LYS A 47 -1.743 2.922 2.799 1.00 0.18 C ATOM 675 O LYS A 47 -2.508 3.854 2.560 1.00 0.22 O ATOM 676 CB LYS A 47 0.027 3.223 1.061 1.00 0.23 C ATOM 677 CG LYS A 47 1.307 3.369 1.868 1.00 0.25 C ATOM 678 CD LYS A 47 2.003 4.700 1.617 1.00 0.32 C ATOM 679 CE LYS A 47 1.332 5.838 2.384 1.00 0.20 C ATOM 680 NZ LYS A 47 2.276 6.949 2.714 1.00 0.35 N ATOM 0 H LYS A 47 -2.357 2.551 0.110 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.465 1.359 2.056 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.282 2.899 0.052 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.447 4.200 0.972 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.077 3.277 2.929 1.00 0.25 H new ATOM 0 HG3 LYS A 47 1.986 2.554 1.618 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.049 4.626 1.915 1.00 0.32 H new ATOM 0 HD3 LYS A 47 1.991 4.922 0.550 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.507 6.233 1.791 1.00 0.20 H new ATOM 0 HE3 LYS A 47 0.903 5.446 3.306 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.758 7.716 3.189 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 3.023 6.594 3.344 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 2.705 7.312 1.839 1.00 0.35 H new ATOM 694 N LYS A 48 -1.534 2.464 4.028 1.00 0.16 N ATOM 695 CA LYS A 48 -2.147 3.097 5.187 1.00 0.18 C ATOM 696 C LYS A 48 -1.091 3.745 6.074 1.00 0.17 C ATOM 697 O LYS A 48 -0.238 3.060 6.640 1.00 0.22 O ATOM 698 CB LYS A 48 -2.950 2.077 5.996 1.00 0.25 C ATOM 699 CG LYS A 48 -3.592 2.660 7.244 1.00 0.32 C ATOM 700 CD LYS A 48 -4.438 1.629 7.975 1.00 0.69 C ATOM 701 CE LYS A 48 -3.613 0.435 8.434 1.00 0.52 C ATOM 702 NZ LYS A 48 -4.436 -0.547 9.192 1.00 1.07 N ATOM 0 H LYS A 48 -0.947 1.659 4.246 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.822 3.873 4.826 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.728 1.654 5.361 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.293 1.257 6.285 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -2.816 3.034 7.912 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.214 3.512 6.969 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -4.912 2.096 8.839 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -5.238 1.286 7.319 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -3.169 -0.055 7.567 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -2.791 0.781 9.061 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -3.967 -1.475 9.180 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -4.542 -0.225 10.175 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -5.374 -0.628 8.751 1.00 1.07 H new ATOM 716 N THR A 49 -1.150 5.058 6.186 1.00 0.18 N ATOM 717 CA THR A 49 -0.247 5.796 7.046 1.00 0.20 C ATOM 718 C THR A 49 -0.617 5.615 8.508 1.00 0.21 C ATOM 719 O THR A 49 -1.594 6.193 8.986 1.00 0.29 O ATOM 720 CB THR A 49 -0.271 7.293 6.693 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.616 7.704 6.401 1.00 0.33 O ATOM 722 CG2 THR A 49 0.617 7.585 5.498 1.00 0.25 C ATOM 0 H THR A 49 -1.822 5.640 5.686 1.00 0.18 H new ATOM 0 HA THR A 49 0.757 5.404 6.887 1.00 0.20 H new ATOM 0 HB THR A 49 0.107 7.850 7.550 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.219 7.367 7.096 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.582 8.650 5.270 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.643 7.297 5.728 1.00 0.25 H new ATOM 0 HG23 THR A 49 0.266 7.018 4.636 1.00 0.25 H new ATOM 730 N LEU A 50 0.144 4.779 9.206 1.00 0.18 N ATOM 731 CA LEU A 50 -0.004 4.650 10.647 1.00 0.21 C ATOM 732 C LEU A 50 0.482 5.947 11.250 1.00 0.23 C ATOM 733 O LEU A 50 -0.229 6.644 11.973 1.00 0.28 O ATOM 734 CB LEU A 50 0.853 3.500 11.163 1.00 0.21 C ATOM 735 CG LEU A 50 0.881 2.261 10.272 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.026 1.358 10.682 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.439 1.521 10.342 1.00 0.24 C ATOM 0 H LEU A 50 0.865 4.184 8.798 1.00 0.18 H new ATOM 0 HA LEU A 50 -1.041 4.447 10.913 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.874 3.858 11.292 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.490 3.211 12.149 1.00 0.21 H new ATOM 0 HG LEU A 50 1.034 2.574 9.239 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.040 0.476 10.042 1.00 0.21 H new ATOM 0 HD12 LEU A 50 2.968 1.896 10.579 1.00 0.21 H new ATOM 0 HD13 LEU A 50 1.894 1.052 11.720 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.397 0.641 9.700 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.628 1.211 11.370 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -1.242 2.177 10.007 1.00 0.24 H new ATOM 749 N VAL A 51 1.718 6.251 10.899 1.00 0.23 N ATOM 750 CA VAL A 51 2.321 7.539 11.149 1.00 0.27 C ATOM 751 C VAL A 51 2.891 8.006 9.844 1.00 0.24 C ATOM 752 O VAL A 51 3.613 7.254 9.215 1.00 0.23 O ATOM 753 CB VAL A 51 3.466 7.442 12.160 1.00 0.30 C ATOM 754 CG1 VAL A 51 4.098 8.804 12.413 1.00 0.36 C ATOM 755 CG2 VAL A 51 2.974 6.821 13.450 1.00 0.36 C ATOM 0 H VAL A 51 2.338 5.595 10.424 1.00 0.23 H new ATOM 0 HA VAL A 51 1.571 8.218 11.554 1.00 0.27 H new ATOM 0 HB VAL A 51 4.239 6.799 11.740 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.908 8.701 13.135 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.494 9.201 11.478 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.345 9.487 12.807 1.00 0.36 H new ATOM 0 HG21 VAL A 51 3.798 6.758 14.161 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.179 7.437 13.870 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.590 5.821 13.249 1.00 0.36 H new ATOM 765 N PRO A 52 2.534 9.195 9.387 1.00 0.29 N ATOM 766 CA PRO A 52 3.049 9.751 8.158 1.00 0.32 C ATOM 767 C PRO A 52 4.084 10.852 8.377 1.00 0.34 C ATOM 768 O PRO A 52 3.917 11.980 7.912 1.00 0.54 O ATOM 769 CB PRO A 52 1.769 10.286 7.558 1.00 0.41 C ATOM 770 CG PRO A 52 0.963 10.772 8.732 1.00 0.46 C ATOM 771 CD PRO A 52 1.515 10.078 9.957 1.00 0.37 C ATOM 0 HA PRO A 52 3.593 9.037 7.540 1.00 0.32 H new ATOM 0 HB2 PRO A 52 1.970 11.095 6.855 1.00 0.41 H new ATOM 0 HB3 PRO A 52 1.237 9.510 7.008 1.00 0.41 H new ATOM 0 HG2 PRO A 52 1.041 11.855 8.833 1.00 0.46 H new ATOM 0 HG3 PRO A 52 -0.093 10.539 8.599 1.00 0.46 H new ATOM 0 HD2 PRO A 52 1.942 10.786 10.667 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.745 9.519 10.489 1.00 0.37 H new ATOM 779 N GLY A 53 5.155 10.503 9.083 1.00 0.24 N ATOM 780 CA GLY A 53 6.242 11.430 9.312 1.00 0.28 C ATOM 781 C GLY A 53 5.886 12.548 10.277 1.00 0.29 C ATOM 782 O GLY A 53 4.722 12.944 10.386 1.00 0.55 O ATOM 0 H GLY A 53 5.287 9.583 9.504 1.00 0.24 H new ATOM 0 HA2 GLY A 53 7.101 10.883 9.702 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.546 11.865 8.360 1.00 0.28 H new ATOM 821 N SER A 57 8.502 16.506 7.212 1.00 0.52 N ATOM 822 CA SER A 57 9.246 15.416 6.642 1.00 0.40 C ATOM 823 C SER A 57 9.488 15.644 5.153 1.00 0.34 C ATOM 824 O SER A 57 9.034 16.635 4.577 1.00 0.43 O ATOM 825 CB SER A 57 8.476 14.126 6.846 1.00 0.40 C ATOM 826 OG SER A 57 8.312 13.835 8.221 1.00 0.99 O ATOM 0 HA SER A 57 10.214 15.353 7.139 1.00 0.40 H new ATOM 0 HB2 SER A 57 7.499 14.205 6.370 1.00 0.40 H new ATOM 0 HB3 SER A 57 9.003 13.305 6.359 1.00 0.40 H new ATOM 0 HG SER A 57 8.675 12.945 8.413 1.00 0.99 H new ATOM 832 N SER A 58 10.188 14.709 4.538 1.00 0.28 N ATOM 833 CA SER A 58 10.462 14.756 3.118 1.00 0.30 C ATOM 834 C SER A 58 10.233 13.379 2.525 1.00 0.27 C ATOM 835 O SER A 58 10.767 12.391 3.019 1.00 0.38 O ATOM 836 CB SER A 58 11.909 15.187 2.876 1.00 0.38 C ATOM 837 OG SER A 58 12.190 16.420 3.514 1.00 1.28 O ATOM 0 H SER A 58 10.582 13.896 5.011 1.00 0.28 H new ATOM 0 HA SER A 58 9.797 15.478 2.644 1.00 0.30 H new ATOM 0 HB2 SER A 58 12.587 14.419 3.248 1.00 0.38 H new ATOM 0 HB3 SER A 58 12.089 15.279 1.805 1.00 0.38 H new ATOM 0 HG SER A 58 13.122 16.671 3.344 1.00 1.28 H new ATOM 843 N ARG A 59 9.428 13.307 1.487 1.00 0.32 N ATOM 844 CA ARG A 59 9.193 12.044 0.808 1.00 0.30 C ATOM 845 C ARG A 59 10.195 11.868 -0.326 1.00 0.27 C ATOM 846 O ARG A 59 10.147 12.582 -1.330 1.00 0.34 O ATOM 847 CB ARG A 59 7.737 11.935 0.329 1.00 0.42 C ATOM 848 CG ARG A 59 7.094 13.257 -0.054 1.00 0.64 C ATOM 849 CD ARG A 59 5.577 13.163 -0.026 1.00 0.68 C ATOM 850 NE ARG A 59 4.947 14.456 -0.284 1.00 1.41 N ATOM 851 CZ ARG A 59 4.308 15.178 0.635 1.00 1.81 C ATOM 852 NH1 ARG A 59 4.208 14.751 1.891 1.00 1.78 N ATOM 853 NH2 ARG A 59 3.756 16.331 0.283 1.00 2.81 N ATOM 0 H ARG A 59 8.925 14.103 1.094 1.00 0.32 H new ATOM 0 HA ARG A 59 9.346 11.227 1.513 1.00 0.30 H new ATOM 0 HB2 ARG A 59 7.701 11.266 -0.531 1.00 0.42 H new ATOM 0 HB3 ARG A 59 7.143 11.473 1.117 1.00 0.42 H new ATOM 0 HG2 ARG A 59 7.425 14.037 0.632 1.00 0.64 H new ATOM 0 HG3 ARG A 59 7.424 13.549 -1.051 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.244 12.441 -0.772 1.00 0.68 H new ATOM 0 HD3 ARG A 59 5.254 12.789 0.946 1.00 0.68 H new ATOM 0 HE ARG A 59 5.000 14.831 -1.231 1.00 1.41 H new ATOM 0 HH11 ARG A 59 4.624 13.860 2.161 1.00 1.78 H new ATOM 0 HH12 ARG A 59 3.716 15.315 2.584 1.00 1.78 H new ATOM 0 HH21 ARG A 59 3.824 16.655 -0.682 1.00 2.81 H new ATOM 0 HH22 ARG A 59 3.264 16.894 0.977 1.00 2.81 H new ATOM 867 N PRO A 60 11.149 10.932 -0.134 1.00 0.23 N ATOM 868 CA PRO A 60 12.294 10.722 -1.035 1.00 0.26 C ATOM 869 C PRO A 60 11.923 10.569 -2.508 1.00 0.26 C ATOM 870 O PRO A 60 10.791 10.233 -2.858 1.00 0.28 O ATOM 871 CB PRO A 60 12.938 9.422 -0.522 1.00 0.30 C ATOM 872 CG PRO A 60 11.946 8.832 0.420 1.00 0.28 C ATOM 873 CD PRO A 60 11.199 9.996 1.000 1.00 0.21 C ATOM 0 HA PRO A 60 12.948 11.594 -1.014 1.00 0.26 H new ATOM 0 HB2 PRO A 60 13.153 8.739 -1.344 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.884 9.624 -0.020 1.00 0.30 H new ATOM 0 HG2 PRO A 60 11.270 8.151 -0.098 1.00 0.28 H new ATOM 0 HG3 PRO A 60 12.442 8.256 1.201 1.00 0.28 H new ATOM 0 HD2 PRO A 60 10.202 9.712 1.337 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.716 10.424 1.859 1.00 0.21 H new ATOM 881 N VAL A 61 12.909 10.808 -3.365 1.00 0.29 N ATOM 882 CA VAL A 61 12.726 10.697 -4.803 1.00 0.31 C ATOM 883 C VAL A 61 13.237 9.344 -5.283 1.00 0.28 C ATOM 884 O VAL A 61 14.069 8.715 -4.632 1.00 0.27 O ATOM 885 CB VAL A 61 13.481 11.818 -5.564 1.00 0.40 C ATOM 886 CG1 VAL A 61 13.130 11.812 -7.048 1.00 0.81 C ATOM 887 CG2 VAL A 61 13.196 13.179 -4.948 1.00 0.88 C ATOM 0 H VAL A 61 13.850 11.082 -3.083 1.00 0.29 H new ATOM 0 HA VAL A 61 11.660 10.797 -5.009 1.00 0.31 H new ATOM 0 HB VAL A 61 14.549 11.619 -5.473 1.00 0.40 H new ATOM 0 HG11 VAL A 61 13.675 12.609 -7.554 1.00 0.81 H new ATOM 0 HG12 VAL A 61 13.405 10.851 -7.483 1.00 0.81 H new ATOM 0 HG13 VAL A 61 12.059 11.971 -7.169 1.00 0.81 H new ATOM 0 HG21 VAL A 61 13.737 13.948 -5.499 1.00 0.88 H new ATOM 0 HG22 VAL A 61 12.126 13.383 -4.995 1.00 0.88 H new ATOM 0 HG23 VAL A 61 13.520 13.183 -3.907 1.00 0.88 H new ATOM 897 N LYS A 62 12.729 8.892 -6.409 1.00 0.27 N ATOM 898 CA LYS A 62 13.201 7.661 -7.000 1.00 0.27 C ATOM 899 C LYS A 62 14.573 7.883 -7.615 1.00 0.25 C ATOM 900 O LYS A 62 14.761 8.737 -8.482 1.00 0.31 O ATOM 901 CB LYS A 62 12.200 7.144 -8.035 1.00 0.30 C ATOM 902 CG LYS A 62 10.849 6.792 -7.433 1.00 0.37 C ATOM 903 CD LYS A 62 10.030 5.914 -8.357 1.00 0.41 C ATOM 904 CE LYS A 62 8.870 5.272 -7.614 1.00 0.60 C ATOM 905 NZ LYS A 62 8.277 4.136 -8.366 1.00 1.17 N ATOM 0 H LYS A 62 11.989 9.359 -6.933 1.00 0.27 H new ATOM 0 HA LYS A 62 13.291 6.900 -6.225 1.00 0.27 H new ATOM 0 HB2 LYS A 62 12.061 7.901 -8.807 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.614 6.262 -8.524 1.00 0.30 H new ATOM 0 HG2 LYS A 62 10.998 6.280 -6.483 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.297 7.707 -7.219 1.00 0.37 H new ATOM 0 HD2 LYS A 62 9.650 6.509 -9.187 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.665 5.139 -8.785 1.00 0.41 H new ATOM 0 HE2 LYS A 62 9.215 4.920 -6.642 1.00 0.60 H new ATOM 0 HE3 LYS A 62 8.101 6.022 -7.428 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 7.271 4.327 -8.547 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 8.776 4.021 -9.271 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 8.369 3.264 -7.807 1.00 1.17 H new ATOM 919 N GLY A 63 15.525 7.112 -7.136 1.00 0.25 N ATOM 920 CA GLY A 63 16.903 7.301 -7.497 1.00 0.27 C ATOM 921 C GLY A 63 17.752 7.401 -6.258 1.00 0.30 C ATOM 922 O GLY A 63 18.969 7.245 -6.295 1.00 0.42 O ATOM 0 H GLY A 63 15.361 6.341 -6.488 1.00 0.25 H new ATOM 0 HA2 GLY A 63 17.243 6.469 -8.114 1.00 0.27 H new ATOM 0 HA3 GLY A 63 17.010 8.206 -8.095 1.00 0.27 H new ATOM 926 N GLN A 64 17.097 7.689 -5.143 1.00 0.26 N ATOM 927 CA GLN A 64 17.761 7.682 -3.851 1.00 0.28 C ATOM 928 C GLN A 64 17.595 6.305 -3.233 1.00 0.24 C ATOM 929 O GLN A 64 16.534 5.694 -3.378 1.00 0.24 O ATOM 930 CB GLN A 64 17.160 8.735 -2.907 1.00 0.30 C ATOM 931 CG GLN A 64 16.535 9.953 -3.586 1.00 0.36 C ATOM 932 CD GLN A 64 17.511 10.850 -4.334 1.00 0.44 C ATOM 933 OE1 GLN A 64 18.509 10.271 -4.986 1.00 0.59 O flip ATOM 934 NE2 GLN A 64 17.335 12.064 -4.361 1.00 0.43 N flip ATOM 0 H GLN A 64 16.107 7.930 -5.108 1.00 0.26 H new ATOM 0 HA GLN A 64 18.815 7.921 -3.996 1.00 0.28 H new ATOM 0 HB2 GLN A 64 16.399 8.254 -2.293 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.943 9.080 -2.232 1.00 0.30 H new ATOM 0 HG2 GLN A 64 15.774 9.608 -4.286 1.00 0.36 H new ATOM 0 HG3 GLN A 64 16.025 10.549 -2.829 1.00 0.36 H new ATOM 0 HE21 GLN A 64 16.557 12.478 -3.848 1.00 0.43 H new ATOM 0 HE22 GLN A 64 17.967 12.659 -4.897 1.00 0.43 H new ATOM 943 N VAL A 65 18.624 5.797 -2.574 1.00 0.28 N ATOM 944 CA VAL A 65 18.461 4.559 -1.847 1.00 0.31 C ATOM 945 C VAL A 65 17.965 4.878 -0.452 1.00 0.25 C ATOM 946 O VAL A 65 18.496 5.747 0.245 1.00 0.32 O ATOM 947 CB VAL A 65 19.727 3.665 -1.794 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.202 3.304 -3.190 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.836 4.311 -0.990 1.00 1.05 C ATOM 0 H VAL A 65 19.555 6.212 -2.530 1.00 0.28 H new ATOM 0 HA VAL A 65 17.731 3.963 -2.395 1.00 0.31 H new ATOM 0 HB VAL A 65 19.451 2.742 -1.284 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.091 2.677 -3.121 1.00 1.22 H new ATOM 0 HG12 VAL A 65 19.415 2.761 -3.713 1.00 1.22 H new ATOM 0 HG13 VAL A 65 20.442 4.214 -3.739 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.706 3.654 -0.976 1.00 1.05 H new ATOM 0 HG22 VAL A 65 21.108 5.263 -1.445 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.494 4.481 0.031 1.00 1.05 H new ATOM 959 N VAL A 66 16.902 4.212 -0.082 1.00 0.19 N ATOM 960 CA VAL A 66 16.218 4.486 1.160 1.00 0.15 C ATOM 961 C VAL A 66 16.139 3.242 2.017 1.00 0.16 C ATOM 962 O VAL A 66 16.036 2.129 1.499 1.00 0.21 O ATOM 963 CB VAL A 66 14.795 5.019 0.899 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.837 6.337 0.145 1.00 0.18 C ATOM 965 CG2 VAL A 66 13.978 4.009 0.107 1.00 0.25 C ATOM 0 H VAL A 66 16.484 3.462 -0.633 1.00 0.19 H new ATOM 0 HA VAL A 66 16.791 5.248 1.689 1.00 0.15 H new ATOM 0 HB VAL A 66 14.322 5.181 1.868 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.820 6.691 -0.026 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.384 7.075 0.732 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.337 6.192 -0.813 1.00 0.18 H new ATOM 0 HG21 VAL A 66 12.978 4.406 -0.066 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.463 3.819 -0.850 1.00 0.25 H new ATOM 0 HG23 VAL A 66 13.907 3.078 0.669 1.00 0.25 H new ATOM 975 N THR A 67 16.212 3.427 3.326 1.00 0.13 N ATOM 976 CA THR A 67 16.078 2.317 4.238 1.00 0.15 C ATOM 977 C THR A 67 14.627 2.124 4.612 1.00 0.16 C ATOM 978 O THR A 67 14.018 2.980 5.260 1.00 0.21 O ATOM 979 CB THR A 67 16.869 2.495 5.549 1.00 0.20 C ATOM 980 OG1 THR A 67 16.467 3.693 6.216 1.00 0.29 O ATOM 981 CG2 THR A 67 18.363 2.522 5.316 1.00 0.27 C ATOM 0 H THR A 67 16.362 4.332 3.772 1.00 0.13 H new ATOM 0 HA THR A 67 16.482 1.455 3.707 1.00 0.15 H new ATOM 0 HB THR A 67 16.644 1.632 6.176 1.00 0.20 H new ATOM 0 HG1 THR A 67 15.496 3.801 6.138 1.00 0.29 H new ATOM 0 HG21 THR A 67 18.878 2.649 6.268 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.677 1.585 4.856 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.613 3.352 4.655 1.00 0.27 H new ATOM 989 N VAL A 68 14.073 1.002 4.238 1.00 0.15 N ATOM 990 CA VAL A 68 12.766 0.655 4.732 1.00 0.15 C ATOM 991 C VAL A 68 12.889 -0.494 5.703 1.00 0.15 C ATOM 992 O VAL A 68 13.754 -1.342 5.565 1.00 0.17 O ATOM 993 CB VAL A 68 11.770 0.267 3.620 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.426 1.477 2.769 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.329 -0.858 2.767 1.00 0.19 C ATOM 0 H VAL A 68 14.496 0.323 3.605 1.00 0.15 H new ATOM 0 HA VAL A 68 12.369 1.546 5.218 1.00 0.15 H new ATOM 0 HB VAL A 68 10.853 -0.091 4.087 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.722 1.185 1.989 1.00 0.18 H new ATOM 0 HG12 VAL A 68 10.975 2.246 3.396 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.334 1.869 2.310 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.611 -1.116 1.989 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.263 -0.536 2.306 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.515 -1.731 3.393 1.00 0.19 H new ATOM 1005 N HIS A 69 12.075 -0.481 6.726 1.00 0.14 N ATOM 1006 CA HIS A 69 11.951 -1.634 7.579 1.00 0.15 C ATOM 1007 C HIS A 69 10.657 -2.294 7.215 1.00 0.14 C ATOM 1008 O HIS A 69 9.611 -1.684 7.351 1.00 0.15 O ATOM 1009 CB HIS A 69 11.948 -1.262 9.075 1.00 0.15 C ATOM 1010 CG HIS A 69 11.691 -2.444 9.987 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.102 -2.522 11.301 1.00 0.19 N ATOM 1012 CD2 HIS A 69 11.052 -3.607 9.744 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.719 -3.689 11.805 1.00 0.18 C ATOM 1014 NE2 HIS A 69 11.086 -4.358 10.880 1.00 0.18 N ATOM 0 H HIS A 69 11.490 0.312 6.988 1.00 0.14 H new ATOM 0 HA HIS A 69 12.806 -2.294 7.431 1.00 0.15 H new ATOM 0 HB2 HIS A 69 12.908 -0.815 9.333 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.186 -0.503 9.252 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.617 -1.800 11.804 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.593 -3.893 8.810 1.00 0.18 H new ATOM 0 HE1 HIS A 69 11.901 -4.029 12.814 1.00 0.18 H new ATOM 1023 N LEU A 70 10.708 -3.524 6.762 1.00 0.15 N ATOM 1024 CA LEU A 70 9.483 -4.194 6.442 1.00 0.16 C ATOM 1025 C LEU A 70 9.340 -5.472 7.237 1.00 0.15 C ATOM 1026 O LEU A 70 10.283 -6.241 7.412 1.00 0.21 O ATOM 1027 CB LEU A 70 9.333 -4.464 4.942 1.00 0.21 C ATOM 1028 CG LEU A 70 9.760 -5.845 4.459 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.259 -6.079 3.041 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.275 -5.998 4.508 1.00 0.38 C ATOM 0 H LEU A 70 11.561 -4.064 6.612 1.00 0.15 H new ATOM 0 HA LEU A 70 8.675 -3.519 6.723 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.288 -4.314 4.670 1.00 0.21 H new ATOM 0 HB3 LEU A 70 9.913 -3.717 4.400 1.00 0.21 H new ATOM 0 HG LEU A 70 9.321 -6.589 5.124 1.00 0.31 H new ATOM 0 HD11 LEU A 70 9.569 -7.068 2.704 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.171 -6.014 3.024 1.00 0.39 H new ATOM 0 HD13 LEU A 70 9.678 -5.322 2.378 1.00 0.39 H new ATOM 0 HD21 LEU A 70 11.552 -6.993 4.158 1.00 0.38 H new ATOM 0 HD22 LEU A 70 11.737 -5.246 3.868 1.00 0.38 H new ATOM 0 HD23 LEU A 70 11.621 -5.865 5.533 1.00 0.38 H new ATOM 1042 N GLN A 71 8.168 -5.633 7.778 1.00 0.13 N ATOM 1043 CA GLN A 71 7.743 -6.888 8.342 1.00 0.14 C ATOM 1044 C GLN A 71 6.428 -7.185 7.703 1.00 0.14 C ATOM 1045 O GLN A 71 5.444 -6.465 7.893 1.00 0.14 O ATOM 1046 CB GLN A 71 7.577 -6.853 9.853 1.00 0.15 C ATOM 1047 CG GLN A 71 8.471 -5.855 10.557 1.00 0.15 C ATOM 1048 CD GLN A 71 7.825 -4.502 10.721 1.00 0.16 C ATOM 1049 OE1 GLN A 71 6.862 -4.212 9.875 1.00 0.27 O flip ATOM 1050 NE2 GLN A 71 8.165 -3.746 11.626 1.00 0.18 N flip ATOM 0 H GLN A 71 7.471 -4.891 7.843 1.00 0.13 H new ATOM 0 HA GLN A 71 8.502 -7.647 8.152 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.538 -6.620 10.087 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.778 -7.847 10.252 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.740 -6.245 11.539 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.397 -5.744 9.993 1.00 0.15 H new ATOM 0 HE21 GLN A 71 8.919 -4.014 12.259 1.00 0.18 H new ATOM 0 HE22 GLN A 71 7.694 -2.849 11.745 1.00 0.18 H new ATOM 1059 N THR A 72 6.431 -8.213 6.931 1.00 0.15 N ATOM 1060 CA THR A 72 5.356 -8.471 6.039 1.00 0.16 C ATOM 1061 C THR A 72 4.480 -9.593 6.541 1.00 0.16 C ATOM 1062 O THR A 72 4.959 -10.683 6.845 1.00 0.17 O ATOM 1063 CB THR A 72 5.913 -8.807 4.662 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.713 -7.717 4.189 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.792 -9.081 3.698 1.00 0.19 C ATOM 0 H THR A 72 7.182 -8.902 6.900 1.00 0.15 H new ATOM 0 HA THR A 72 4.736 -7.577 5.975 1.00 0.16 H new ATOM 0 HB THR A 72 6.531 -9.701 4.737 1.00 0.17 H new ATOM 0 HG1 THR A 72 7.072 -7.935 3.304 1.00 0.19 H new ATOM 0 HG21 THR A 72 5.205 -9.320 2.718 1.00 0.19 H new ATOM 0 HG22 THR A 72 4.201 -9.923 4.057 1.00 0.19 H new ATOM 0 HG23 THR A 72 4.156 -8.199 3.619 1.00 0.19 H new ATOM 1073 N SER A 73 3.202 -9.307 6.627 1.00 0.17 N ATOM 1074 CA SER A 73 2.237 -10.263 7.095 1.00 0.17 C ATOM 1075 C SER A 73 1.405 -10.754 5.929 1.00 0.15 C ATOM 1076 O SER A 73 1.175 -10.031 4.964 1.00 0.26 O ATOM 1077 CB SER A 73 1.333 -9.612 8.143 1.00 0.23 C ATOM 1078 OG SER A 73 1.854 -8.354 8.552 1.00 1.06 O ATOM 0 H SER A 73 2.806 -8.402 6.373 1.00 0.17 H new ATOM 0 HA SER A 73 2.754 -11.109 7.548 1.00 0.17 H new ATOM 0 HB2 SER A 73 0.332 -9.479 7.733 1.00 0.23 H new ATOM 0 HB3 SER A 73 1.239 -10.270 9.007 1.00 0.23 H new ATOM 0 HG SER A 73 1.744 -7.703 7.827 1.00 1.06 H new ATOM 1084 N LEU A 74 0.990 -11.991 6.009 1.00 0.19 N ATOM 1085 CA LEU A 74 0.090 -12.558 5.036 1.00 0.18 C ATOM 1086 C LEU A 74 -1.303 -11.989 5.224 1.00 0.19 C ATOM 1087 O LEU A 74 -1.585 -11.370 6.247 1.00 0.21 O ATOM 1088 CB LEU A 74 0.068 -14.072 5.193 1.00 0.22 C ATOM 1089 CG LEU A 74 1.377 -14.775 4.832 1.00 0.38 C ATOM 1090 CD1 LEU A 74 1.135 -16.243 4.531 1.00 0.84 C ATOM 1091 CD2 LEU A 74 2.052 -14.085 3.661 1.00 0.72 C ATOM 0 H LEU A 74 1.266 -12.635 6.750 1.00 0.19 H new ATOM 0 HA LEU A 74 0.433 -12.307 4.033 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -0.184 -14.312 6.226 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.729 -14.476 4.569 1.00 0.22 H new ATOM 0 HG LEU A 74 2.045 -14.713 5.691 1.00 0.38 H new ATOM 0 HD11 LEU A 74 2.080 -16.723 4.277 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.706 -16.728 5.408 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.445 -16.333 3.692 1.00 0.84 H new ATOM 0 HD21 LEU A 74 2.981 -14.601 3.421 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.390 -14.107 2.795 1.00 0.72 H new ATOM 0 HD23 LEU A 74 2.270 -13.050 3.925 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.168 -12.187 4.236 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.573 -11.800 4.352 1.00 0.26 C ATOM 1105 C GLU A 75 -4.210 -12.456 5.579 1.00 0.32 C ATOM 1106 O GLU A 75 -5.201 -11.971 6.126 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.339 -12.195 3.083 1.00 0.30 C ATOM 1108 CG GLU A 75 -4.164 -13.654 2.685 1.00 0.34 C ATOM 1109 CD GLU A 75 -4.893 -13.996 1.404 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -4.329 -13.766 0.317 1.00 0.82 O ATOM 1111 OE2 GLU A 75 -6.030 -14.500 1.482 1.00 1.14 O ATOM 0 H GLU A 75 -1.922 -12.614 3.343 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.625 -10.718 4.471 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.400 -11.995 3.234 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -4.009 -11.562 2.259 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -3.102 -13.869 2.564 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.529 -14.293 3.489 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.604 -13.556 6.012 1.00 0.34 N ATOM 1119 CA ASN A 76 -4.065 -14.298 7.177 1.00 0.41 C ATOM 1120 C ASN A 76 -3.532 -13.675 8.465 1.00 0.39 C ATOM 1121 O ASN A 76 -3.916 -14.076 9.563 1.00 0.51 O ATOM 1122 CB ASN A 76 -3.601 -15.755 7.088 1.00 0.50 C ATOM 1123 CG ASN A 76 -4.044 -16.441 5.810 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -5.147 -16.975 5.730 1.00 2.14 O ATOM 1125 ND2 ASN A 76 -3.170 -16.463 4.810 1.00 1.13 N ATOM 0 H ASN A 76 -2.780 -13.957 5.565 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.154 -14.260 7.193 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -2.514 -15.789 7.154 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -3.990 -16.307 7.944 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -3.406 -16.935 3.937 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -2.263 -16.008 4.915 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.630 -12.709 8.323 1.00 0.30 N ATOM 1133 CA GLY A 77 -2.063 -12.041 9.480 1.00 0.32 C ATOM 1134 C GLY A 77 -0.715 -12.611 9.862 1.00 0.32 C ATOM 1135 O GLY A 77 -0.056 -12.114 10.774 1.00 0.51 O ATOM 0 H GLY A 77 -2.281 -12.376 7.424 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -1.959 -10.977 9.269 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.747 -12.134 10.323 1.00 0.32 H new ATOM 1139 N THR A 78 -0.301 -13.649 9.149 1.00 0.28 N ATOM 1140 CA THR A 78 0.942 -14.335 9.448 1.00 0.28 C ATOM 1141 C THR A 78 2.139 -13.597 8.862 1.00 0.23 C ATOM 1142 O THR A 78 2.315 -13.552 7.648 1.00 0.21 O ATOM 1143 CB THR A 78 0.910 -15.774 8.903 1.00 0.34 C ATOM 1144 OG1 THR A 78 -0.284 -16.438 9.346 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.134 -16.557 9.356 1.00 0.39 C ATOM 0 H THR A 78 -0.813 -14.034 8.355 1.00 0.28 H new ATOM 0 HA THR A 78 1.047 -14.361 10.533 1.00 0.28 H new ATOM 0 HB THR A 78 0.917 -15.727 7.814 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.299 -17.353 8.994 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.086 -17.570 8.957 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.036 -16.066 8.991 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.158 -16.597 10.445 1.00 0.39 H new ATOM 1153 N ARG A 79 2.948 -13.010 9.730 1.00 0.24 N ATOM 1154 CA ARG A 79 4.145 -12.314 9.296 1.00 0.22 C ATOM 1155 C ARG A 79 5.221 -13.297 8.889 1.00 0.24 C ATOM 1156 O ARG A 79 5.655 -14.144 9.669 1.00 0.33 O ATOM 1157 CB ARG A 79 4.646 -11.354 10.365 1.00 0.25 C ATOM 1158 CG ARG A 79 3.737 -10.154 10.514 1.00 0.25 C ATOM 1159 CD ARG A 79 4.517 -8.903 10.871 1.00 0.28 C ATOM 1160 NE ARG A 79 3.707 -7.692 10.706 1.00 0.33 N ATOM 1161 CZ ARG A 79 4.028 -6.495 11.206 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.105 -6.353 11.966 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.262 -5.437 10.968 1.00 0.47 N ATOM 0 H ARG A 79 2.796 -13.003 10.739 1.00 0.24 H new ATOM 0 HA ARG A 79 3.888 -11.718 8.420 1.00 0.22 H new ATOM 0 HB2 ARG A 79 4.717 -11.877 11.319 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.651 -11.019 10.110 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.193 -9.991 9.583 1.00 0.25 H new ATOM 0 HG3 ARG A 79 2.994 -10.353 11.287 1.00 0.25 H new ATOM 0 HD2 ARG A 79 4.862 -8.972 11.903 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.404 -8.836 10.242 1.00 0.28 H new ATOM 0 HE ARG A 79 2.840 -7.768 10.174 1.00 0.33 H new ATOM 0 HH11 ARG A 79 5.694 -7.160 12.172 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.345 -5.437 12.345 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.421 -5.534 10.399 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.515 -4.527 11.354 1.00 0.47 H new ATOM 1177 N VAL A 80 5.636 -13.164 7.648 1.00 0.20 N ATOM 1178 CA VAL A 80 6.496 -14.134 7.014 1.00 0.22 C ATOM 1179 C VAL A 80 7.926 -13.633 6.892 1.00 0.21 C ATOM 1180 O VAL A 80 8.826 -14.384 6.526 1.00 0.27 O ATOM 1181 CB VAL A 80 5.959 -14.485 5.618 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.608 -15.167 5.730 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.855 -13.243 4.743 1.00 0.22 C ATOM 0 H VAL A 80 5.385 -12.377 7.050 1.00 0.20 H new ATOM 0 HA VAL A 80 6.501 -15.022 7.645 1.00 0.22 H new ATOM 0 HB VAL A 80 6.662 -15.172 5.147 1.00 0.23 H new ATOM 0 HG11 VAL A 80 4.239 -15.410 4.733 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.710 -16.083 6.313 1.00 0.26 H new ATOM 0 HG13 VAL A 80 3.903 -14.499 6.225 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.472 -13.521 3.761 1.00 0.22 H new ATOM 0 HG22 VAL A 80 5.177 -12.527 5.207 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.841 -12.791 4.634 1.00 0.22 H new ATOM 1193 N GLN A 81 8.126 -12.364 7.193 1.00 0.18 N ATOM 1194 CA GLN A 81 9.438 -11.757 7.057 1.00 0.19 C ATOM 1195 C GLN A 81 9.534 -10.492 7.900 1.00 0.19 C ATOM 1196 O GLN A 81 8.626 -9.660 7.886 1.00 0.26 O ATOM 1197 CB GLN A 81 9.717 -11.432 5.581 1.00 0.23 C ATOM 1198 CG GLN A 81 8.697 -10.493 4.954 1.00 0.23 C ATOM 1199 CD GLN A 81 8.994 -10.178 3.510 1.00 0.37 C ATOM 1200 OE1 GLN A 81 9.724 -9.245 3.204 1.00 0.59 O ATOM 1201 NE2 GLN A 81 8.402 -10.942 2.612 1.00 0.50 N ATOM 0 H GLN A 81 7.399 -11.734 7.533 1.00 0.18 H new ATOM 0 HA GLN A 81 10.186 -12.465 7.413 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.707 -10.984 5.498 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.739 -12.361 5.012 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.706 -10.942 5.026 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.668 -9.564 5.524 1.00 0.23 H new ATOM 0 HE21 GLN A 81 7.801 -11.710 2.912 1.00 0.50 H new ATOM 0 HE22 GLN A 81 8.545 -10.765 1.618 1.00 0.50 H new ATOM 1210 N GLU A 82 10.614 -10.369 8.657 1.00 0.24 N ATOM 1211 CA GLU A 82 10.911 -9.136 9.363 1.00 0.24 C ATOM 1212 C GLU A 82 12.329 -8.689 9.046 1.00 0.25 C ATOM 1213 O GLU A 82 13.302 -9.312 9.470 1.00 0.41 O ATOM 1214 CB GLU A 82 10.741 -9.282 10.876 1.00 0.35 C ATOM 1215 CG GLU A 82 11.035 -7.986 11.619 1.00 0.44 C ATOM 1216 CD GLU A 82 10.867 -8.097 13.115 1.00 0.82 C ATOM 1217 OE1 GLU A 82 11.796 -8.595 13.781 1.00 1.21 O ATOM 1218 OE2 GLU A 82 9.793 -7.720 13.626 1.00 1.34 O ATOM 0 H GLU A 82 11.300 -11.111 8.797 1.00 0.24 H new ATOM 0 HA GLU A 82 10.198 -8.384 9.023 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.722 -9.601 11.096 1.00 0.35 H new ATOM 0 HB3 GLU A 82 11.406 -10.066 11.240 1.00 0.35 H new ATOM 0 HG2 GLU A 82 12.056 -7.674 11.398 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.374 -7.204 11.244 1.00 0.44 H new ATOM 1225 N GLU A 83 12.431 -7.616 8.292 1.00 0.22 N ATOM 1226 CA GLU A 83 13.712 -7.062 7.919 1.00 0.26 C ATOM 1227 C GLU A 83 13.775 -5.591 8.312 1.00 0.23 C ATOM 1228 O GLU A 83 13.083 -4.745 7.742 1.00 0.24 O ATOM 1229 CB GLU A 83 13.944 -7.301 6.419 1.00 0.39 C ATOM 1230 CG GLU A 83 14.922 -6.358 5.743 1.00 1.20 C ATOM 1231 CD GLU A 83 15.502 -6.961 4.475 1.00 1.73 C ATOM 1232 OE1 GLU A 83 16.466 -7.750 4.578 1.00 1.69 O ATOM 1233 OE2 GLU A 83 14.987 -6.678 3.376 1.00 2.59 O ATOM 0 H GLU A 83 11.630 -7.105 7.922 1.00 0.22 H new ATOM 0 HA GLU A 83 14.521 -7.559 8.455 1.00 0.26 H new ATOM 0 HB2 GLU A 83 14.301 -8.322 6.284 1.00 0.39 H new ATOM 0 HB3 GLU A 83 12.985 -7.228 5.906 1.00 0.39 H new ATOM 0 HG2 GLU A 83 14.418 -5.422 5.503 1.00 1.20 H new ATOM 0 HG3 GLU A 83 15.730 -6.116 6.433 1.00 1.20 H new ATOM 1240 N PRO A 84 14.589 -5.288 9.339 1.00 0.23 N ATOM 1241 CA PRO A 84 14.655 -3.960 9.965 1.00 0.21 C ATOM 1242 C PRO A 84 15.246 -2.892 9.058 1.00 0.19 C ATOM 1243 O PRO A 84 15.052 -1.700 9.285 1.00 0.20 O ATOM 1244 CB PRO A 84 15.565 -4.197 11.173 1.00 0.25 C ATOM 1245 CG PRO A 84 16.444 -5.306 10.731 1.00 0.50 C ATOM 1246 CD PRO A 84 15.528 -6.228 9.982 1.00 0.31 C ATOM 0 HA PRO A 84 13.662 -3.583 10.212 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.139 -3.305 11.424 1.00 0.25 H new ATOM 0 HB3 PRO A 84 14.992 -4.468 12.060 1.00 0.25 H new ATOM 0 HG2 PRO A 84 17.252 -4.944 10.095 1.00 0.50 H new ATOM 0 HG3 PRO A 84 16.908 -5.809 11.580 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.067 -6.829 9.249 1.00 0.31 H new ATOM 0 HD3 PRO A 84 15.016 -6.922 10.649 1.00 0.31 H new ATOM 1254 N GLU A 85 15.944 -3.309 8.018 1.00 0.20 N ATOM 1255 CA GLU A 85 16.624 -2.364 7.163 1.00 0.22 C ATOM 1256 C GLU A 85 16.873 -2.952 5.796 1.00 0.24 C ATOM 1257 O GLU A 85 17.643 -3.894 5.619 1.00 0.35 O ATOM 1258 CB GLU A 85 17.929 -1.898 7.824 1.00 0.31 C ATOM 1259 CG GLU A 85 18.655 -0.786 7.083 1.00 0.34 C ATOM 1260 CD GLU A 85 19.606 -1.302 6.022 1.00 0.90 C ATOM 1261 OE1 GLU A 85 20.592 -1.982 6.385 1.00 1.30 O ATOM 1262 OE2 GLU A 85 19.393 -1.006 4.834 1.00 1.37 O ATOM 0 H GLU A 85 16.052 -4.287 7.749 1.00 0.20 H new ATOM 0 HA GLU A 85 15.984 -1.493 7.026 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.707 -1.557 8.835 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.599 -2.753 7.916 1.00 0.31 H new ATOM 0 HG2 GLU A 85 17.921 -0.129 6.616 1.00 0.34 H new ATOM 0 HG3 GLU A 85 19.212 -0.183 7.800 1.00 0.34 H new ATOM 1269 N LEU A 86 16.173 -2.382 4.852 1.00 0.23 N ATOM 1270 CA LEU A 86 16.302 -2.721 3.466 1.00 0.24 C ATOM 1271 C LEU A 86 16.517 -1.447 2.661 1.00 0.23 C ATOM 1272 O LEU A 86 15.570 -0.708 2.391 1.00 0.25 O ATOM 1273 CB LEU A 86 15.042 -3.444 3.000 1.00 0.26 C ATOM 1274 CG LEU A 86 14.935 -3.660 1.499 1.00 0.33 C ATOM 1275 CD1 LEU A 86 16.113 -4.471 0.983 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.623 -4.346 1.162 1.00 0.38 C ATOM 0 H LEU A 86 15.483 -1.653 5.033 1.00 0.23 H new ATOM 0 HA LEU A 86 17.156 -3.382 3.319 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.996 -4.414 3.494 1.00 0.26 H new ATOM 0 HB3 LEU A 86 14.173 -2.876 3.332 1.00 0.26 H new ATOM 0 HG LEU A 86 14.957 -2.687 1.008 1.00 0.33 H new ATOM 0 HD11 LEU A 86 16.014 -4.612 -0.093 1.00 0.38 H new ATOM 0 HD12 LEU A 86 17.041 -3.940 1.195 1.00 0.38 H new ATOM 0 HD13 LEU A 86 16.130 -5.443 1.476 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.557 -4.496 0.084 1.00 0.38 H new ATOM 0 HD22 LEU A 86 13.577 -5.311 1.666 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.792 -3.724 1.493 1.00 0.38 H new ATOM 1288 N VAL A 87 17.765 -1.155 2.350 1.00 0.24 N ATOM 1289 CA VAL A 87 18.087 -0.003 1.529 1.00 0.22 C ATOM 1290 C VAL A 87 18.093 -0.397 0.046 1.00 0.21 C ATOM 1291 O VAL A 87 18.686 -1.409 -0.337 1.00 0.28 O ATOM 1292 CB VAL A 87 19.441 0.618 1.947 1.00 0.27 C ATOM 1293 CG1 VAL A 87 20.604 -0.316 1.660 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.651 1.962 1.278 1.00 0.94 C ATOM 0 H VAL A 87 18.573 -1.699 2.653 1.00 0.24 H new ATOM 0 HA VAL A 87 17.319 0.756 1.681 1.00 0.22 H new ATOM 0 HB VAL A 87 19.406 0.773 3.025 1.00 0.27 H new ATOM 0 HG11 VAL A 87 21.536 0.158 1.968 1.00 1.00 H new ATOM 0 HG12 VAL A 87 20.469 -1.245 2.213 1.00 1.00 H new ATOM 0 HG13 VAL A 87 20.642 -0.532 0.592 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.610 2.377 1.589 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.644 1.835 0.195 1.00 0.94 H new ATOM 0 HG23 VAL A 87 18.850 2.642 1.568 1.00 0.94 H new ATOM 1304 N PHE A 88 17.407 0.385 -0.775 1.00 0.17 N ATOM 1305 CA PHE A 88 17.260 0.071 -2.199 1.00 0.19 C ATOM 1306 C PHE A 88 17.079 1.338 -3.010 1.00 0.20 C ATOM 1307 O PHE A 88 16.666 2.369 -2.478 1.00 0.23 O ATOM 1308 CB PHE A 88 16.056 -0.844 -2.415 1.00 0.21 C ATOM 1309 CG PHE A 88 14.737 -0.199 -2.084 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.296 -0.128 -0.775 1.00 0.19 C ATOM 1311 CD2 PHE A 88 13.937 0.335 -3.086 1.00 0.17 C ATOM 1312 CE1 PHE A 88 13.084 0.456 -0.468 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.724 0.919 -2.786 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.296 0.982 -1.477 1.00 0.15 C ATOM 0 H PHE A 88 16.941 1.244 -0.484 1.00 0.17 H new ATOM 0 HA PHE A 88 18.166 -0.436 -2.530 1.00 0.19 H new ATOM 0 HB2 PHE A 88 16.040 -1.169 -3.455 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.176 -1.738 -1.803 1.00 0.21 H new ATOM 0 HD1 PHE A 88 14.908 -0.535 0.017 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.269 0.292 -4.113 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.751 0.503 0.558 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.110 1.326 -3.576 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.348 1.441 -1.239 1.00 0.15 H new ATOM 1324 N THR A 89 17.379 1.253 -4.294 1.00 0.23 N ATOM 1325 CA THR A 89 17.190 2.375 -5.189 1.00 0.25 C ATOM 1326 C THR A 89 15.712 2.537 -5.529 1.00 0.21 C ATOM 1327 O THR A 89 15.121 1.688 -6.200 1.00 0.22 O ATOM 1328 CB THR A 89 17.999 2.189 -6.486 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.338 1.801 -6.166 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.023 3.472 -7.305 1.00 0.37 C ATOM 0 H THR A 89 17.755 0.416 -4.739 1.00 0.23 H new ATOM 0 HA THR A 89 17.546 3.272 -4.681 1.00 0.25 H new ATOM 0 HB THR A 89 17.519 1.411 -7.080 1.00 0.33 H new ATOM 0 HG1 THR A 89 19.850 1.682 -6.993 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.601 3.312 -8.215 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.004 3.755 -7.568 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.482 4.269 -6.719 1.00 0.37 H new ATOM 1338 N LEU A 90 15.116 3.610 -5.029 1.00 0.19 N ATOM 1339 CA LEU A 90 13.720 3.915 -5.306 1.00 0.16 C ATOM 1340 C LEU A 90 13.493 4.046 -6.808 1.00 0.15 C ATOM 1341 O LEU A 90 14.218 4.765 -7.486 1.00 0.18 O ATOM 1342 CB LEU A 90 13.323 5.219 -4.615 1.00 0.16 C ATOM 1343 CG LEU A 90 11.822 5.429 -4.453 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.204 4.234 -3.752 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.545 6.710 -3.680 1.00 0.60 C ATOM 0 H LEU A 90 15.581 4.288 -4.425 1.00 0.19 H new ATOM 0 HA LEU A 90 13.105 3.100 -4.923 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.787 5.247 -3.629 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.733 6.054 -5.184 1.00 0.16 H new ATOM 0 HG LEU A 90 11.370 5.525 -5.440 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.131 4.392 -3.640 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.378 3.335 -4.343 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.658 4.115 -2.768 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.469 6.845 -3.573 1.00 0.60 H new ATOM 0 HD22 LEU A 90 12.002 6.645 -2.693 1.00 0.60 H new ATOM 0 HD23 LEU A 90 11.965 7.559 -4.220 1.00 0.60 H new ATOM 1357 N GLY A 91 12.507 3.338 -7.326 1.00 0.20 N ATOM 1358 CA GLY A 91 12.152 3.476 -8.722 1.00 0.23 C ATOM 1359 C GLY A 91 13.000 2.611 -9.619 1.00 0.26 C ATOM 1360 O GLY A 91 12.928 2.715 -10.844 1.00 0.37 O ATOM 0 H GLY A 91 11.943 2.667 -6.804 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.103 3.213 -8.855 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.260 4.519 -9.020 1.00 0.23 H new ATOM 1364 N ASP A 92 13.806 1.754 -9.019 1.00 0.27 N ATOM 1365 CA ASP A 92 14.679 0.884 -9.790 1.00 0.32 C ATOM 1366 C ASP A 92 14.187 -0.544 -9.692 1.00 0.30 C ATOM 1367 O ASP A 92 14.821 -1.471 -10.196 1.00 0.37 O ATOM 1368 CB ASP A 92 16.134 1.012 -9.318 1.00 0.42 C ATOM 1369 CG ASP A 92 17.135 0.559 -10.369 1.00 0.59 C ATOM 1370 OD1 ASP A 92 17.152 1.153 -11.469 1.00 0.93 O ATOM 1371 OD2 ASP A 92 17.924 -0.372 -10.095 1.00 0.82 O ATOM 0 H ASP A 92 13.875 1.641 -8.008 1.00 0.27 H new ATOM 0 HA ASP A 92 14.653 1.187 -10.837 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.336 2.050 -9.054 1.00 0.42 H new ATOM 0 HB3 ASP A 92 16.271 0.420 -8.413 1.00 0.42 H new ATOM 1376 N CYS A 93 13.025 -0.701 -9.053 1.00 0.28 N ATOM 1377 CA CYS A 93 12.395 -2.006 -8.895 1.00 0.27 C ATOM 1378 C CYS A 93 13.353 -2.979 -8.228 1.00 0.26 C ATOM 1379 O CYS A 93 13.316 -4.185 -8.491 1.00 0.31 O ATOM 1380 CB CYS A 93 11.958 -2.552 -10.251 1.00 0.38 C ATOM 1381 SG CYS A 93 10.891 -1.434 -11.191 1.00 0.62 S ATOM 0 H CYS A 93 12.501 0.068 -8.635 1.00 0.28 H new ATOM 0 HA CYS A 93 11.515 -1.889 -8.262 1.00 0.27 H new ATOM 0 HB2 CYS A 93 12.845 -2.774 -10.844 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.433 -3.495 -10.098 1.00 0.38 H new ATOM 0 HG CYS A 93 10.576 -1.986 -12.325 1.00 0.62 H new ATOM 1387 N ASP A 94 14.194 -2.450 -7.339 1.00 0.27 N ATOM 1388 CA ASP A 94 15.193 -3.256 -6.661 1.00 0.33 C ATOM 1389 C ASP A 94 14.516 -4.098 -5.582 1.00 0.33 C ATOM 1390 O ASP A 94 15.127 -4.943 -4.925 1.00 0.48 O ATOM 1391 CB ASP A 94 16.267 -2.348 -6.052 1.00 0.41 C ATOM 1392 CG ASP A 94 17.468 -3.114 -5.531 1.00 0.65 C ATOM 1393 OD1 ASP A 94 17.939 -4.040 -6.227 1.00 0.96 O ATOM 1394 OD2 ASP A 94 17.968 -2.773 -4.439 1.00 1.33 O ATOM 0 H ASP A 94 14.198 -1.465 -7.076 1.00 0.27 H new ATOM 0 HA ASP A 94 15.676 -3.924 -7.375 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.598 -1.632 -6.804 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.828 -1.773 -5.236 1.00 0.41 H new ATOM 1399 N VAL A 95 13.223 -3.854 -5.440 1.00 0.23 N ATOM 1400 CA VAL A 95 12.400 -4.475 -4.414 1.00 0.21 C ATOM 1401 C VAL A 95 11.082 -4.950 -5.001 1.00 0.20 C ATOM 1402 O VAL A 95 10.979 -5.203 -6.199 1.00 0.22 O ATOM 1403 CB VAL A 95 12.097 -3.466 -3.298 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.334 -3.219 -2.467 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.596 -2.160 -3.895 1.00 0.19 C ATOM 0 H VAL A 95 12.709 -3.211 -6.042 1.00 0.23 H new ATOM 0 HA VAL A 95 12.950 -5.326 -4.012 1.00 0.21 H new ATOM 0 HB VAL A 95 11.320 -3.878 -2.654 1.00 0.20 H new ATOM 0 HG11 VAL A 95 13.106 -2.501 -1.679 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.665 -4.156 -2.020 1.00 0.23 H new ATOM 0 HG13 VAL A 95 14.125 -2.821 -3.102 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.384 -1.452 -3.094 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.358 -1.745 -4.554 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.686 -2.346 -4.465 1.00 0.19 H new ATOM 1415 N ILE A 96 10.070 -5.056 -4.151 1.00 0.19 N ATOM 1416 CA ILE A 96 8.745 -5.364 -4.610 1.00 0.19 C ATOM 1417 C ILE A 96 8.111 -4.066 -5.057 1.00 0.16 C ATOM 1418 O ILE A 96 8.261 -3.036 -4.396 1.00 0.15 O ATOM 1419 CB ILE A 96 7.897 -6.044 -3.512 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.824 -5.168 -2.259 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.480 -7.409 -3.176 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.939 -5.735 -1.171 1.00 0.29 C ATOM 0 H ILE A 96 10.153 -4.931 -3.142 1.00 0.19 H new ATOM 0 HA ILE A 96 8.796 -6.075 -5.435 1.00 0.19 H new ATOM 0 HB ILE A 96 6.883 -6.176 -3.889 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.830 -5.032 -1.863 1.00 0.25 H new ATOM 0 HG13 ILE A 96 7.455 -4.181 -2.538 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.876 -7.882 -2.401 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.479 -8.035 -4.069 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.502 -7.290 -2.817 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.937 -5.060 -0.315 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.923 -5.845 -1.549 1.00 0.29 H new ATOM 0 HD13 ILE A 96 7.319 -6.709 -0.864 1.00 0.29 H new ATOM 1434 N GLN A 97 7.452 -4.097 -6.192 1.00 0.17 N ATOM 1435 CA GLN A 97 6.954 -2.874 -6.804 1.00 0.17 C ATOM 1436 C GLN A 97 5.990 -2.139 -5.875 1.00 0.16 C ATOM 1437 O GLN A 97 5.918 -0.912 -5.896 1.00 0.16 O ATOM 1438 CB GLN A 97 6.280 -3.162 -8.138 1.00 0.19 C ATOM 1439 CG GLN A 97 6.305 -1.967 -9.076 1.00 0.25 C ATOM 1440 CD GLN A 97 7.684 -1.704 -9.657 1.00 0.31 C ATOM 1441 OE1 GLN A 97 8.510 -0.937 -8.953 1.00 0.40 O flip ATOM 1442 NE2 GLN A 97 8.019 -2.208 -10.728 1.00 0.32 N flip ATOM 0 H GLN A 97 7.246 -4.949 -6.713 1.00 0.17 H new ATOM 0 HA GLN A 97 7.814 -2.229 -6.983 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.777 -4.006 -8.617 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.246 -3.459 -7.962 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.599 -2.134 -9.889 1.00 0.25 H new ATOM 0 HG3 GLN A 97 5.967 -1.081 -8.538 1.00 0.25 H new ATOM 0 HE21 GLN A 97 7.361 -2.792 -11.245 1.00 0.32 H new ATOM 0 HE22 GLN A 97 8.954 -2.042 -11.099 1.00 0.32 H new ATOM 1451 N ALA A 98 5.267 -2.898 -5.055 1.00 0.17 N ATOM 1452 CA ALA A 98 4.381 -2.320 -4.049 1.00 0.18 C ATOM 1453 C ALA A 98 5.152 -1.368 -3.150 1.00 0.17 C ATOM 1454 O ALA A 98 4.696 -0.268 -2.847 1.00 0.20 O ATOM 1455 CB ALA A 98 3.751 -3.422 -3.217 1.00 0.20 C ATOM 0 H ALA A 98 5.278 -3.918 -5.068 1.00 0.17 H new ATOM 0 HA ALA A 98 3.594 -1.762 -4.556 1.00 0.18 H new ATOM 0 HB1 ALA A 98 3.092 -2.982 -2.469 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.175 -4.083 -3.865 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.534 -3.994 -2.719 1.00 0.20 H new ATOM 1461 N LEU A 99 6.344 -1.791 -2.760 1.00 0.17 N ATOM 1462 CA LEU A 99 7.184 -0.999 -1.876 1.00 0.17 C ATOM 1463 C LEU A 99 7.779 0.181 -2.624 1.00 0.15 C ATOM 1464 O LEU A 99 7.823 1.302 -2.117 1.00 0.15 O ATOM 1465 CB LEU A 99 8.318 -1.835 -1.299 1.00 0.19 C ATOM 1466 CG LEU A 99 9.268 -1.060 -0.386 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.515 -0.456 0.787 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.394 -1.949 0.097 1.00 0.22 C ATOM 0 H LEU A 99 6.753 -2.682 -3.043 1.00 0.17 H new ATOM 0 HA LEU A 99 6.553 -0.642 -1.062 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.892 -2.667 -0.738 1.00 0.19 H new ATOM 0 HB3 LEU A 99 8.892 -2.265 -2.120 1.00 0.19 H new ATOM 0 HG LEU A 99 9.705 -0.245 -0.964 1.00 0.18 H new ATOM 0 HD11 LEU A 99 9.211 0.091 1.423 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.750 0.226 0.416 1.00 0.21 H new ATOM 0 HD13 LEU A 99 8.043 -1.251 1.365 1.00 0.21 H new ATOM 0 HD21 LEU A 99 11.057 -1.376 0.745 1.00 0.22 H new ATOM 0 HD22 LEU A 99 9.980 -2.790 0.653 1.00 0.22 H new ATOM 0 HD23 LEU A 99 10.956 -2.322 -0.759 1.00 0.22 H new ATOM 1480 N ASP A 100 8.201 -0.089 -3.845 1.00 0.15 N ATOM 1481 CA ASP A 100 8.900 0.886 -4.669 1.00 0.16 C ATOM 1482 C ASP A 100 8.000 2.084 -4.939 1.00 0.15 C ATOM 1483 O ASP A 100 8.461 3.204 -5.147 1.00 0.16 O ATOM 1484 CB ASP A 100 9.338 0.206 -5.971 1.00 0.17 C ATOM 1485 CG ASP A 100 10.113 1.115 -6.901 1.00 0.20 C ATOM 1486 OD1 ASP A 100 9.483 1.884 -7.661 1.00 0.26 O ATOM 1487 OD2 ASP A 100 11.357 1.040 -6.892 1.00 0.21 O ATOM 0 H ASP A 100 8.069 -0.994 -4.297 1.00 0.15 H new ATOM 0 HA ASP A 100 9.785 1.254 -4.150 1.00 0.16 H new ATOM 0 HB2 ASP A 100 9.953 -0.661 -5.729 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.455 -0.165 -6.492 1.00 0.17 H new ATOM 1492 N LEU A 101 6.706 1.828 -4.928 1.00 0.16 N ATOM 1493 CA LEU A 101 5.711 2.866 -5.084 1.00 0.16 C ATOM 1494 C LEU A 101 5.290 3.462 -3.736 1.00 0.15 C ATOM 1495 O LEU A 101 5.034 4.667 -3.627 1.00 0.16 O ATOM 1496 CB LEU A 101 4.499 2.287 -5.804 1.00 0.19 C ATOM 1497 CG LEU A 101 4.800 1.600 -7.139 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.525 1.047 -7.754 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.485 2.559 -8.099 1.00 0.25 C ATOM 0 H LEU A 101 6.317 0.893 -4.810 1.00 0.16 H new ATOM 0 HA LEU A 101 6.147 3.674 -5.671 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.014 1.567 -5.144 1.00 0.19 H new ATOM 0 HB3 LEU A 101 3.783 3.090 -5.980 1.00 0.19 H new ATOM 0 HG LEU A 101 5.479 0.769 -6.948 1.00 0.22 H new ATOM 0 HD11 LEU A 101 3.759 0.563 -8.702 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.079 0.320 -7.075 1.00 0.25 H new ATOM 0 HD13 LEU A 101 2.821 1.861 -7.927 1.00 0.25 H new ATOM 0 HD21 LEU A 101 5.689 2.048 -9.040 1.00 0.25 H new ATOM 0 HD22 LEU A 101 4.836 3.415 -8.284 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.423 2.903 -7.663 1.00 0.25 H new ATOM 1511 N SER A 102 5.220 2.616 -2.713 1.00 0.15 N ATOM 1512 CA SER A 102 4.747 3.030 -1.399 1.00 0.17 C ATOM 1513 C SER A 102 5.663 4.088 -0.794 1.00 0.15 C ATOM 1514 O SER A 102 5.201 5.028 -0.145 1.00 0.18 O ATOM 1515 CB SER A 102 4.662 1.818 -0.462 1.00 0.23 C ATOM 1516 OG SER A 102 4.239 2.197 0.835 1.00 1.01 O ATOM 0 H SER A 102 5.487 1.633 -2.771 1.00 0.15 H new ATOM 0 HA SER A 102 3.754 3.464 -1.519 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.967 1.086 -0.874 1.00 0.23 H new ATOM 0 HB3 SER A 102 5.637 1.334 -0.402 1.00 0.23 H new ATOM 0 HG SER A 102 4.849 1.817 1.502 1.00 1.01 H new ATOM 1522 N VAL A 103 6.958 3.928 -1.027 1.00 0.15 N ATOM 1523 CA VAL A 103 7.963 4.805 -0.443 1.00 0.16 C ATOM 1524 C VAL A 103 7.793 6.268 -0.857 1.00 0.16 C ATOM 1525 O VAL A 103 7.694 7.133 0.000 1.00 0.18 O ATOM 1526 CB VAL A 103 9.367 4.343 -0.815 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.411 5.368 -0.391 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.653 2.997 -0.183 1.00 0.19 C ATOM 0 H VAL A 103 7.340 3.192 -1.622 1.00 0.15 H new ATOM 0 HA VAL A 103 7.822 4.745 0.636 1.00 0.16 H new ATOM 0 HB VAL A 103 9.421 4.243 -1.899 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.403 5.013 -0.669 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.213 6.317 -0.889 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.365 5.509 0.689 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.658 2.674 -0.454 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.579 3.081 0.901 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.928 2.266 -0.541 1.00 0.19 H new ATOM 1538 N PRO A 104 7.771 6.578 -2.170 1.00 0.17 N ATOM 1539 CA PRO A 104 7.546 7.949 -2.644 1.00 0.21 C ATOM 1540 C PRO A 104 6.181 8.478 -2.222 1.00 0.19 C ATOM 1541 O PRO A 104 5.975 9.686 -2.111 1.00 0.22 O ATOM 1542 CB PRO A 104 7.640 7.836 -4.171 1.00 0.27 C ATOM 1543 CG PRO A 104 7.456 6.388 -4.461 1.00 0.21 C ATOM 1544 CD PRO A 104 8.015 5.656 -3.285 1.00 0.17 C ATOM 0 HA PRO A 104 8.268 8.649 -2.225 1.00 0.21 H new ATOM 0 HB2 PRO A 104 6.873 8.437 -4.659 1.00 0.27 H new ATOM 0 HB3 PRO A 104 8.604 8.192 -4.535 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.402 6.150 -4.603 1.00 0.21 H new ATOM 0 HG3 PRO A 104 7.973 6.105 -5.378 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.517 4.699 -3.132 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.077 5.446 -3.409 1.00 0.17 H new ATOM 1552 N LEU A 105 5.247 7.563 -1.991 1.00 0.18 N ATOM 1553 CA LEU A 105 3.937 7.924 -1.465 1.00 0.19 C ATOM 1554 C LEU A 105 3.978 8.139 0.047 1.00 0.22 C ATOM 1555 O LEU A 105 3.011 8.612 0.645 1.00 0.32 O ATOM 1556 CB LEU A 105 2.930 6.829 -1.797 1.00 0.18 C ATOM 1557 CG LEU A 105 2.377 6.854 -3.223 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.154 5.963 -3.333 1.00 0.53 C ATOM 1559 CD2 LEU A 105 2.036 8.272 -3.652 1.00 0.64 C ATOM 0 H LEU A 105 5.373 6.565 -2.160 1.00 0.18 H new ATOM 0 HA LEU A 105 3.636 8.862 -1.932 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.402 5.861 -1.626 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.095 6.904 -1.101 1.00 0.18 H new ATOM 0 HG LEU A 105 3.150 6.474 -3.891 1.00 0.25 H new ATOM 0 HD11 LEU A 105 0.773 5.992 -4.354 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.426 4.939 -3.076 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.383 6.317 -2.648 1.00 0.53 H new ATOM 0 HD21 LEU A 105 1.645 8.260 -4.669 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.284 8.685 -2.979 1.00 0.64 H new ATOM 0 HD23 LEU A 105 2.934 8.889 -3.615 1.00 0.64 H new ATOM 1571 N MET A 106 5.073 7.742 0.664 1.00 0.20 N ATOM 1572 CA MET A 106 5.254 7.890 2.097 1.00 0.24 C ATOM 1573 C MET A 106 6.301 8.967 2.417 1.00 0.21 C ATOM 1574 O MET A 106 7.184 9.244 1.609 1.00 0.26 O ATOM 1575 CB MET A 106 5.655 6.526 2.675 1.00 0.33 C ATOM 1576 CG MET A 106 7.062 6.460 3.236 1.00 0.53 C ATOM 1577 SD MET A 106 7.637 4.764 3.453 1.00 0.78 S ATOM 1578 CE MET A 106 6.402 4.134 4.584 1.00 0.54 C ATOM 0 H MET A 106 5.863 7.308 0.187 1.00 0.20 H new ATOM 0 HA MET A 106 4.321 8.220 2.555 1.00 0.24 H new ATOM 0 HB2 MET A 106 4.952 6.261 3.465 1.00 0.33 H new ATOM 0 HB3 MET A 106 5.555 5.773 1.893 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.742 6.989 2.568 1.00 0.53 H new ATOM 0 HG3 MET A 106 7.092 6.977 4.195 1.00 0.53 H new ATOM 0 HE1 MET A 106 6.872 3.889 5.536 1.00 0.54 H new ATOM 0 HE2 MET A 106 5.634 4.891 4.742 1.00 0.54 H new ATOM 0 HE3 MET A 106 5.947 3.238 4.163 1.00 0.54 H new ATOM 1588 N ASP A 107 6.195 9.578 3.592 1.00 0.18 N ATOM 1589 CA ASP A 107 7.134 10.622 4.003 1.00 0.18 C ATOM 1590 C ASP A 107 8.248 10.034 4.857 1.00 0.14 C ATOM 1591 O ASP A 107 8.100 8.949 5.427 1.00 0.13 O ATOM 1592 CB ASP A 107 6.410 11.733 4.771 1.00 0.25 C ATOM 1593 CG ASP A 107 5.758 12.744 3.853 1.00 0.56 C ATOM 1594 OD1 ASP A 107 4.640 12.470 3.364 1.00 0.92 O ATOM 1595 OD2 ASP A 107 6.355 13.817 3.612 1.00 0.97 O ATOM 0 H ASP A 107 5.469 9.370 4.278 1.00 0.18 H new ATOM 0 HA ASP A 107 7.574 11.053 3.104 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.651 11.289 5.415 1.00 0.25 H new ATOM 0 HB3 ASP A 107 7.121 12.243 5.421 1.00 0.25 H new ATOM 1600 N VAL A 108 9.376 10.731 4.937 1.00 0.16 N ATOM 1601 CA VAL A 108 10.500 10.235 5.713 1.00 0.16 C ATOM 1602 C VAL A 108 10.149 10.203 7.193 1.00 0.15 C ATOM 1603 O VAL A 108 9.631 11.165 7.758 1.00 0.19 O ATOM 1604 CB VAL A 108 11.800 11.054 5.485 1.00 0.21 C ATOM 1605 CG1 VAL A 108 11.869 12.291 6.363 1.00 0.68 C ATOM 1606 CG2 VAL A 108 13.022 10.187 5.725 1.00 0.80 C ATOM 0 H VAL A 108 9.533 11.629 4.480 1.00 0.16 H new ATOM 0 HA VAL A 108 10.700 9.222 5.364 1.00 0.16 H new ATOM 0 HB VAL A 108 11.784 11.388 4.447 1.00 0.21 H new ATOM 0 HG11 VAL A 108 12.797 12.827 6.164 1.00 0.68 H new ATOM 0 HG12 VAL A 108 11.021 12.940 6.144 1.00 0.68 H new ATOM 0 HG13 VAL A 108 11.839 11.995 7.412 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.924 10.776 5.561 1.00 0.80 H new ATOM 0 HG22 VAL A 108 13.011 9.818 6.751 1.00 0.80 H new ATOM 0 HG23 VAL A 108 13.010 9.343 5.036 1.00 0.80 H new ATOM 1616 N GLY A 109 10.380 9.063 7.789 1.00 0.15 N ATOM 1617 CA GLY A 109 10.152 8.908 9.205 1.00 0.17 C ATOM 1618 C GLY A 109 8.802 8.301 9.501 1.00 0.18 C ATOM 1619 O GLY A 109 8.410 8.181 10.664 1.00 0.28 O ATOM 0 H GLY A 109 10.726 8.227 7.318 1.00 0.15 H new ATOM 0 HA2 GLY A 109 10.933 8.278 9.630 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.226 9.880 9.692 1.00 0.17 H new ATOM 1623 N GLU A 110 8.077 7.917 8.459 1.00 0.13 N ATOM 1624 CA GLU A 110 6.760 7.352 8.655 1.00 0.13 C ATOM 1625 C GLU A 110 6.793 5.839 8.616 1.00 0.10 C ATOM 1626 O GLU A 110 7.772 5.228 8.175 1.00 0.12 O ATOM 1627 CB GLU A 110 5.749 7.872 7.623 1.00 0.17 C ATOM 1628 CG GLU A 110 5.716 7.137 6.297 1.00 0.20 C ATOM 1629 CD GLU A 110 4.466 7.466 5.492 1.00 0.27 C ATOM 1630 OE1 GLU A 110 4.228 8.658 5.213 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.727 6.530 5.105 1.00 0.39 O ATOM 0 H GLU A 110 8.377 7.987 7.487 1.00 0.13 H new ATOM 0 HA GLU A 110 6.435 7.673 9.645 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.754 7.829 8.065 1.00 0.17 H new ATOM 0 HB3 GLU A 110 5.966 8.922 7.428 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.600 7.398 5.716 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.759 6.063 6.477 1.00 0.20 H new ATOM 1638 N THR A 111 5.710 5.251 9.086 1.00 0.10 N ATOM 1639 CA THR A 111 5.525 3.831 9.030 1.00 0.11 C ATOM 1640 C THR A 111 4.153 3.554 8.457 1.00 0.11 C ATOM 1641 O THR A 111 3.136 3.983 9.011 1.00 0.12 O ATOM 1642 CB THR A 111 5.674 3.168 10.414 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.944 3.505 10.989 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.570 1.659 10.298 1.00 0.19 C ATOM 0 H THR A 111 4.936 5.755 9.518 1.00 0.10 H new ATOM 0 HA THR A 111 6.300 3.401 8.395 1.00 0.11 H new ATOM 0 HB THR A 111 4.871 3.536 11.053 1.00 0.16 H new ATOM 0 HG1 THR A 111 7.028 3.080 11.868 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.678 1.210 11.285 1.00 0.19 H new ATOM 0 HG22 THR A 111 4.598 1.392 9.882 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.359 1.289 9.643 1.00 0.19 H new ATOM 1652 N ALA A 112 4.128 2.889 7.323 1.00 0.12 N ATOM 1653 CA ALA A 112 2.892 2.633 6.633 1.00 0.13 C ATOM 1654 C ALA A 112 2.657 1.149 6.497 1.00 0.12 C ATOM 1655 O ALA A 112 3.582 0.376 6.251 1.00 0.13 O ATOM 1656 CB ALA A 112 2.901 3.297 5.269 1.00 0.18 C ATOM 0 H ALA A 112 4.957 2.516 6.860 1.00 0.12 H new ATOM 0 HA ALA A 112 2.076 3.056 7.219 1.00 0.13 H new ATOM 0 HB1 ALA A 112 1.959 3.094 4.759 1.00 0.18 H new ATOM 0 HB2 ALA A 112 3.024 4.373 5.389 1.00 0.18 H new ATOM 0 HB3 ALA A 112 3.726 2.901 4.677 1.00 0.18 H new ATOM 1662 N MET A 113 1.421 0.760 6.672 1.00 0.12 N ATOM 1663 CA MET A 113 1.027 -0.604 6.461 1.00 0.12 C ATOM 1664 C MET A 113 0.409 -0.682 5.086 1.00 0.12 C ATOM 1665 O MET A 113 -0.588 -0.021 4.816 1.00 0.14 O ATOM 1666 CB MET A 113 0.029 -1.041 7.533 1.00 0.16 C ATOM 1667 CG MET A 113 -0.734 -2.299 7.162 1.00 0.25 C ATOM 1668 SD MET A 113 -1.930 -2.790 8.419 1.00 0.53 S ATOM 1669 CE MET A 113 -0.845 -3.607 9.581 1.00 1.32 C ATOM 0 H MET A 113 0.664 1.378 6.963 1.00 0.12 H new ATOM 0 HA MET A 113 1.886 -1.272 6.529 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.562 -1.210 8.469 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.680 -0.233 7.711 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.253 -2.138 6.217 1.00 0.25 H new ATOM 0 HG3 MET A 113 -0.027 -3.113 7.003 1.00 0.25 H new ATOM 0 HE1 MET A 113 -1.430 -3.990 10.418 1.00 1.32 H new ATOM 0 HE2 MET A 113 -0.337 -4.434 9.085 1.00 1.32 H new ATOM 0 HE3 MET A 113 -0.106 -2.896 9.950 1.00 1.32 H new ATOM 1679 N VAL A 114 1.018 -1.449 4.214 1.00 0.12 N ATOM 1680 CA VAL A 114 0.570 -1.516 2.843 1.00 0.12 C ATOM 1681 C VAL A 114 0.120 -2.914 2.526 1.00 0.13 C ATOM 1682 O VAL A 114 0.838 -3.879 2.782 1.00 0.16 O ATOM 1683 CB VAL A 114 1.697 -1.142 1.873 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.170 -0.842 0.478 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.493 0.018 2.425 1.00 0.17 C ATOM 0 H VAL A 114 1.825 -2.035 4.429 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.252 -0.810 2.726 1.00 0.12 H new ATOM 0 HB VAL A 114 2.359 -2.002 1.777 1.00 0.15 H new ATOM 0 HG11 VAL A 114 2.002 -0.582 -0.177 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.660 -1.721 0.085 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.470 -0.008 0.525 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.291 0.276 1.729 1.00 0.17 H new ATOM 0 HG22 VAL A 114 1.837 0.878 2.560 1.00 0.17 H new ATOM 0 HG23 VAL A 114 2.926 -0.262 3.385 1.00 0.17 H new ATOM 1695 N THR A 115 -1.061 -3.034 1.987 1.00 0.14 N ATOM 1696 CA THR A 115 -1.512 -4.313 1.548 1.00 0.14 C ATOM 1697 C THR A 115 -1.544 -4.336 0.040 1.00 0.13 C ATOM 1698 O THR A 115 -2.291 -3.597 -0.601 1.00 0.16 O ATOM 1699 CB THR A 115 -2.875 -4.694 2.138 1.00 0.17 C ATOM 1700 OG1 THR A 115 -2.811 -4.620 3.561 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.232 -6.108 1.751 1.00 0.20 C ATOM 0 H THR A 115 -1.718 -2.267 1.845 1.00 0.14 H new ATOM 0 HA THR A 115 -0.809 -5.063 1.911 1.00 0.14 H new ATOM 0 HB THR A 115 -3.628 -4.006 1.753 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.434 -3.935 3.881 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.202 -6.368 2.176 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.278 -6.187 0.665 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.474 -6.792 2.133 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.680 -5.160 -0.496 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.510 -5.308 -1.923 1.00 0.13 C ATOM 1711 C ALA A 116 -0.735 -6.739 -2.323 1.00 0.12 C ATOM 1712 O ALA A 116 -0.313 -7.653 -1.616 1.00 0.13 O ATOM 1713 CB ALA A 116 0.887 -4.886 -2.323 1.00 0.15 C ATOM 0 H ALA A 116 -0.064 -5.758 0.054 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.238 -4.675 -2.430 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.007 -5.001 -3.400 1.00 0.15 H new ATOM 0 HB2 ALA A 116 1.044 -3.843 -2.049 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.617 -5.510 -1.808 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.400 -6.937 -3.445 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.519 -8.265 -4.015 1.00 0.13 C ATOM 1721 C ASP A 117 -0.133 -8.868 -4.137 1.00 0.11 C ATOM 1722 O ASP A 117 0.844 -8.150 -4.374 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.160 -8.210 -5.396 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.606 -9.578 -5.901 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -1.738 -10.434 -6.153 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -3.835 -9.806 -6.020 1.00 0.58 O ATOM 0 H ASP A 117 -1.863 -6.200 -3.977 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.149 -8.872 -3.365 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -3.021 -7.542 -5.365 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.450 -7.782 -6.103 1.00 0.16 H new ATOM 1731 N SER A 118 -0.043 -10.175 -3.967 1.00 0.13 N ATOM 1732 CA SER A 118 1.233 -10.872 -4.029 1.00 0.16 C ATOM 1733 C SER A 118 1.931 -10.575 -5.353 1.00 0.13 C ATOM 1734 O SER A 118 3.145 -10.602 -5.446 1.00 0.15 O ATOM 1735 CB SER A 118 1.023 -12.378 -3.870 1.00 0.27 C ATOM 1736 OG SER A 118 2.196 -13.023 -3.409 1.00 0.82 O ATOM 0 H SER A 118 -0.843 -10.780 -3.784 1.00 0.13 H new ATOM 0 HA SER A 118 1.863 -10.519 -3.213 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.208 -12.560 -3.170 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.723 -12.807 -4.826 1.00 0.27 H new ATOM 0 HG SER A 118 2.016 -13.978 -3.284 1.00 0.82 H new ATOM 1742 N LYS A 119 1.153 -10.271 -6.375 1.00 0.13 N ATOM 1743 CA LYS A 119 1.699 -9.884 -7.668 1.00 0.14 C ATOM 1744 C LYS A 119 2.663 -8.694 -7.537 1.00 0.14 C ATOM 1745 O LYS A 119 3.635 -8.603 -8.281 1.00 0.18 O ATOM 1746 CB LYS A 119 0.565 -9.546 -8.630 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.393 -8.518 -8.085 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.401 -8.092 -9.130 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.325 -9.227 -9.519 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.076 -8.914 -10.761 1.00 0.81 N ATOM 0 H LYS A 119 0.134 -10.284 -6.337 1.00 0.13 H new ATOM 0 HA LYS A 119 2.266 -10.727 -8.063 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.988 -9.178 -9.565 1.00 0.17 H new ATOM 0 HB3 LYS A 119 0.014 -10.457 -8.866 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -0.915 -8.928 -7.220 1.00 0.19 H new ATOM 0 HG3 LYS A 119 0.164 -7.647 -7.739 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -1.991 -7.259 -8.747 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -0.876 -7.731 -10.015 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -1.744 -10.138 -9.663 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -3.026 -9.422 -8.707 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -3.700 -9.711 -11.000 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -3.649 -8.058 -10.614 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -2.406 -8.753 -11.540 1.00 0.81 H new ATOM 1764 N TYR A 120 2.407 -7.799 -6.577 1.00 0.13 N ATOM 1765 CA TYR A 120 3.310 -6.675 -6.331 1.00 0.15 C ATOM 1766 C TYR A 120 4.282 -7.018 -5.218 1.00 0.15 C ATOM 1767 O TYR A 120 5.078 -6.181 -4.785 1.00 0.19 O ATOM 1768 CB TYR A 120 2.523 -5.415 -5.967 1.00 0.16 C ATOM 1769 CG TYR A 120 1.555 -5.006 -7.035 1.00 0.20 C ATOM 1770 CD1 TYR A 120 1.974 -4.232 -8.103 1.00 0.28 C ATOM 1771 CD2 TYR A 120 0.222 -5.364 -6.955 1.00 0.23 C ATOM 1772 CE1 TYR A 120 1.086 -3.810 -9.067 1.00 0.34 C ATOM 1773 CE2 TYR A 120 -0.677 -4.958 -7.920 1.00 0.30 C ATOM 1774 CZ TYR A 120 -0.229 -4.324 -9.044 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.144 -3.749 -9.925 1.00 0.42 O ATOM 0 H TYR A 120 1.591 -7.831 -5.965 1.00 0.13 H new ATOM 0 HA TYR A 120 3.869 -6.480 -7.246 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.980 -5.587 -5.038 1.00 0.16 H new ATOM 0 HB3 TYR A 120 3.220 -4.598 -5.782 1.00 0.16 H new ATOM 0 HD1 TYR A 120 3.015 -3.954 -8.182 1.00 0.28 H new ATOM 0 HD2 TYR A 120 -0.120 -5.968 -6.128 1.00 0.23 H new ATOM 0 HE1 TYR A 120 1.389 -3.102 -9.824 1.00 0.34 H new ATOM 0 HE2 TYR A 120 -1.733 -5.141 -7.787 1.00 0.30 H new ATOM 0 HH TYR A 120 -2.016 -4.184 -9.821 1.00 0.42 H new ATOM 1785 N CYS A 121 4.217 -8.265 -4.790 1.00 0.14 N ATOM 1786 CA CYS A 121 5.010 -8.755 -3.683 1.00 0.15 C ATOM 1787 C CYS A 121 5.827 -9.979 -4.109 1.00 0.16 C ATOM 1788 O CYS A 121 6.942 -9.828 -4.595 1.00 0.18 O ATOM 1789 CB CYS A 121 4.093 -9.089 -2.513 1.00 0.14 C ATOM 1790 SG CYS A 121 3.072 -7.698 -1.967 1.00 0.16 S ATOM 0 H CYS A 121 3.607 -8.970 -5.205 1.00 0.14 H new ATOM 0 HA CYS A 121 5.712 -7.982 -3.370 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.442 -9.916 -2.798 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.699 -9.434 -1.675 1.00 0.14 H new ATOM 0 HG CYS A 121 2.041 -7.583 -2.750 1.00 0.16 H new ATOM 1796 N TYR A 122 5.277 -11.192 -3.943 1.00 0.16 N ATOM 1797 CA TYR A 122 5.966 -12.404 -4.386 1.00 0.18 C ATOM 1798 C TYR A 122 4.985 -13.450 -4.936 1.00 0.18 C ATOM 1799 O TYR A 122 5.187 -14.638 -4.724 1.00 0.20 O ATOM 1800 CB TYR A 122 6.773 -13.031 -3.238 1.00 0.19 C ATOM 1801 CG TYR A 122 7.521 -12.035 -2.379 1.00 0.20 C ATOM 1802 CD1 TYR A 122 8.801 -11.612 -2.723 1.00 0.21 C ATOM 1803 CD2 TYR A 122 6.942 -11.507 -1.233 1.00 0.19 C ATOM 1804 CE1 TYR A 122 9.478 -10.701 -1.949 1.00 0.23 C ATOM 1805 CE2 TYR A 122 7.613 -10.587 -0.458 1.00 0.20 C ATOM 1806 CZ TYR A 122 8.903 -10.228 -0.793 1.00 0.22 C ATOM 1807 OH TYR A 122 9.554 -9.266 -0.057 1.00 0.24 O ATOM 0 H TYR A 122 4.368 -11.354 -3.510 1.00 0.16 H new ATOM 0 HA TYR A 122 6.642 -12.103 -5.186 1.00 0.18 H new ATOM 0 HB2 TYR A 122 6.095 -13.602 -2.603 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.488 -13.739 -3.658 1.00 0.19 H new ATOM 0 HD1 TYR A 122 9.270 -12.006 -3.613 1.00 0.21 H new ATOM 0 HD2 TYR A 122 5.950 -11.822 -0.945 1.00 0.19 H new ATOM 0 HE1 TYR A 122 10.458 -10.358 -2.247 1.00 0.23 H new ATOM 0 HE2 TYR A 122 7.133 -10.150 0.405 1.00 0.20 H new ATOM 0 HH TYR A 122 9.017 -9.037 0.730 1.00 0.24 H new ATOM 1817 N GLY A 123 3.943 -13.011 -5.651 1.00 0.19 N ATOM 1818 CA GLY A 123 2.965 -13.935 -6.220 1.00 0.21 C ATOM 1819 C GLY A 123 3.584 -15.089 -6.981 1.00 0.21 C ATOM 1820 O GLY A 123 3.664 -16.200 -6.469 1.00 0.25 O ATOM 0 H GLY A 123 3.759 -12.027 -5.847 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.345 -14.333 -5.417 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.305 -13.383 -6.889 1.00 0.21 H new ATOM 1824 N PRO A 124 4.029 -14.863 -8.218 1.00 0.25 N ATOM 1825 CA PRO A 124 4.686 -15.894 -9.004 1.00 0.30 C ATOM 1826 C PRO A 124 6.172 -15.954 -8.691 1.00 0.30 C ATOM 1827 O PRO A 124 6.935 -16.651 -9.359 1.00 0.34 O ATOM 1828 CB PRO A 124 4.454 -15.419 -10.433 1.00 0.37 C ATOM 1829 CG PRO A 124 4.425 -13.928 -10.340 1.00 0.58 C ATOM 1830 CD PRO A 124 3.927 -13.590 -8.954 1.00 0.32 C ATOM 0 HA PRO A 124 4.305 -16.896 -8.809 1.00 0.30 H new ATOM 0 HB2 PRO A 124 5.249 -15.758 -11.097 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.518 -15.809 -10.832 1.00 0.37 H new ATOM 0 HG2 PRO A 124 5.418 -13.510 -10.507 1.00 0.58 H new ATOM 0 HG3 PRO A 124 3.769 -13.505 -11.101 1.00 0.58 H new ATOM 0 HD2 PRO A 124 4.533 -12.812 -8.491 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.901 -13.223 -8.977 1.00 0.32 H new ATOM 1838 N GLN A 125 6.568 -15.215 -7.663 1.00 0.27 N ATOM 1839 CA GLN A 125 7.975 -15.038 -7.347 1.00 0.30 C ATOM 1840 C GLN A 125 8.353 -15.891 -6.149 1.00 0.32 C ATOM 1841 O GLN A 125 9.329 -16.641 -6.174 1.00 0.39 O ATOM 1842 CB GLN A 125 8.263 -13.573 -7.015 1.00 0.30 C ATOM 1843 CG GLN A 125 7.518 -12.570 -7.883 1.00 0.33 C ATOM 1844 CD GLN A 125 7.566 -11.170 -7.301 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.559 -10.778 -6.688 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.478 -10.424 -7.448 1.00 0.29 N ATOM 0 H GLN A 125 5.930 -14.728 -7.033 1.00 0.27 H new ATOM 0 HA GLN A 125 8.560 -15.340 -8.216 1.00 0.30 H new ATOM 0 HB2 GLN A 125 8.005 -13.393 -5.971 1.00 0.30 H new ATOM 0 HB3 GLN A 125 9.334 -13.395 -7.114 1.00 0.30 H new ATOM 0 HG2 GLN A 125 7.952 -12.562 -8.883 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.479 -12.883 -7.989 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.676 -10.787 -7.964 1.00 0.29 H new ATOM 0 HE22 GLN A 125 6.444 -9.488 -7.045 1.00 0.29 H new ATOM 1855 N GLY A 126 7.551 -15.761 -5.107 1.00 0.27 N ATOM 1856 CA GLY A 126 7.864 -16.342 -3.832 1.00 0.27 C ATOM 1857 C GLY A 126 8.848 -15.499 -3.060 1.00 0.28 C ATOM 1858 O GLY A 126 9.759 -14.894 -3.631 1.00 0.30 O ATOM 0 H GLY A 126 6.669 -15.249 -5.130 1.00 0.27 H new ATOM 0 HA2 GLY A 126 6.949 -16.457 -3.251 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.277 -17.340 -3.979 1.00 0.27 H new ATOM 1862 N SER A 127 8.659 -15.456 -1.762 1.00 0.27 N ATOM 1863 CA SER A 127 9.491 -14.642 -0.907 1.00 0.28 C ATOM 1864 C SER A 127 10.714 -15.423 -0.414 1.00 0.32 C ATOM 1865 O SER A 127 10.724 -16.655 -0.430 1.00 0.33 O ATOM 1866 CB SER A 127 8.648 -14.088 0.257 1.00 0.27 C ATOM 1867 OG SER A 127 9.454 -13.554 1.296 1.00 0.30 O ATOM 0 H SER A 127 7.932 -15.978 -1.273 1.00 0.27 H new ATOM 0 HA SER A 127 9.876 -13.799 -1.481 1.00 0.28 H new ATOM 0 HB2 SER A 127 7.980 -13.312 -0.117 1.00 0.27 H new ATOM 0 HB3 SER A 127 8.020 -14.883 0.659 1.00 0.27 H new ATOM 0 HG SER A 127 9.753 -12.654 1.049 1.00 0.30 H new ATOM 1873 N ARG A 128 11.751 -14.680 -0.010 1.00 0.38 N ATOM 1874 CA ARG A 128 13.066 -15.247 0.293 1.00 0.42 C ATOM 1875 C ARG A 128 12.988 -16.297 1.400 1.00 0.42 C ATOM 1876 O ARG A 128 13.693 -17.309 1.359 1.00 0.52 O ATOM 1877 CB ARG A 128 14.054 -14.133 0.681 1.00 0.52 C ATOM 1878 CG ARG A 128 13.788 -13.504 2.040 1.00 1.12 C ATOM 1879 CD ARG A 128 14.897 -12.544 2.451 1.00 1.41 C ATOM 1880 NE ARG A 128 14.765 -11.221 1.828 1.00 1.81 N ATOM 1881 CZ ARG A 128 15.102 -10.085 2.445 1.00 2.33 C ATOM 1882 NH1 ARG A 128 15.664 -10.129 3.645 1.00 2.45 N ATOM 1883 NH2 ARG A 128 14.899 -8.908 1.855 1.00 3.17 N ATOM 0 H ARG A 128 11.700 -13.669 0.115 1.00 0.38 H new ATOM 0 HA ARG A 128 13.426 -15.743 -0.608 1.00 0.42 H new ATOM 0 HB2 ARG A 128 15.064 -14.542 0.675 1.00 0.52 H new ATOM 0 HB3 ARG A 128 14.021 -13.353 -0.080 1.00 0.52 H new ATOM 0 HG2 ARG A 128 12.838 -12.970 2.013 1.00 1.12 H new ATOM 0 HG3 ARG A 128 13.691 -14.289 2.790 1.00 1.12 H new ATOM 0 HD2 ARG A 128 14.891 -12.432 3.535 1.00 1.41 H new ATOM 0 HD3 ARG A 128 15.862 -12.973 2.180 1.00 1.41 H new ATOM 0 HE ARG A 128 14.398 -11.167 0.878 1.00 1.81 H new ATOM 0 HH11 ARG A 128 15.838 -11.028 4.094 1.00 2.45 H new ATOM 0 HH12 ARG A 128 15.923 -9.264 4.119 1.00 2.45 H new ATOM 0 HH21 ARG A 128 14.483 -8.869 0.924 1.00 3.17 H new ATOM 0 HH22 ARG A 128 15.159 -8.046 2.334 1.00 3.17 H new ATOM 1897 N SER A 129 12.133 -16.059 2.387 1.00 0.42 N ATOM 1898 CA SER A 129 11.953 -17.015 3.463 1.00 0.44 C ATOM 1899 C SER A 129 10.816 -17.981 3.108 1.00 0.41 C ATOM 1900 O SER A 129 11.046 -19.191 3.025 1.00 0.44 O ATOM 1901 CB SER A 129 11.709 -16.293 4.795 1.00 0.48 C ATOM 1902 OG SER A 129 12.653 -15.249 4.980 1.00 1.23 O ATOM 0 H SER A 129 11.560 -15.219 2.461 1.00 0.42 H new ATOM 0 HA SER A 129 12.864 -17.601 3.587 1.00 0.44 H new ATOM 0 HB2 SER A 129 10.699 -15.884 4.813 1.00 0.48 H new ATOM 0 HB3 SER A 129 11.780 -17.004 5.618 1.00 0.48 H new ATOM 0 HG SER A 129 12.480 -14.799 5.833 1.00 1.23 H new ATOM 1908 N PRO A 130 9.569 -17.495 2.900 1.00 0.37 N ATOM 1909 CA PRO A 130 8.488 -18.305 2.375 1.00 0.36 C ATOM 1910 C PRO A 130 8.143 -17.946 0.936 1.00 0.32 C ATOM 1911 O PRO A 130 7.884 -16.789 0.632 1.00 0.27 O ATOM 1912 CB PRO A 130 7.318 -17.879 3.275 1.00 0.37 C ATOM 1913 CG PRO A 130 7.740 -16.570 3.895 1.00 0.37 C ATOM 1914 CD PRO A 130 9.035 -16.181 3.233 1.00 0.37 C ATOM 0 HA PRO A 130 8.728 -19.368 2.372 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.401 -17.762 2.697 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.119 -18.629 4.040 1.00 0.37 H new ATOM 0 HG2 PRO A 130 6.980 -15.804 3.740 1.00 0.37 H new ATOM 0 HG3 PRO A 130 7.871 -16.675 4.972 1.00 0.37 H new ATOM 0 HD2 PRO A 130 8.879 -15.561 2.350 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.691 -15.624 3.902 1.00 0.37 H new ATOM 1922 N TYR A 131 8.124 -18.919 0.054 1.00 0.33 N ATOM 1923 CA TYR A 131 7.496 -18.736 -1.239 1.00 0.32 C ATOM 1924 C TYR A 131 6.043 -18.345 -1.015 1.00 0.30 C ATOM 1925 O TYR A 131 5.192 -19.191 -0.726 1.00 0.32 O ATOM 1926 CB TYR A 131 7.602 -20.004 -2.097 1.00 0.36 C ATOM 1927 CG TYR A 131 6.790 -19.944 -3.377 1.00 0.45 C ATOM 1928 CD1 TYR A 131 7.310 -19.368 -4.532 1.00 1.00 C ATOM 1929 CD2 TYR A 131 5.512 -20.485 -3.438 1.00 0.78 C ATOM 1930 CE1 TYR A 131 6.582 -19.333 -5.706 1.00 1.14 C ATOM 1931 CE2 TYR A 131 4.778 -20.457 -4.608 1.00 0.87 C ATOM 1932 CZ TYR A 131 5.282 -19.786 -5.713 1.00 0.81 C ATOM 1933 OH TYR A 131 4.586 -19.848 -6.908 1.00 1.00 O ATOM 0 H TYR A 131 8.533 -19.841 0.205 1.00 0.33 H new ATOM 0 HA TYR A 131 8.011 -17.945 -1.785 1.00 0.32 H new ATOM 0 HB2 TYR A 131 8.649 -20.175 -2.349 1.00 0.36 H new ATOM 0 HB3 TYR A 131 7.272 -20.859 -1.508 1.00 0.36 H new ATOM 0 HD1 TYR A 131 8.301 -18.940 -4.510 1.00 1.00 H new ATOM 0 HD2 TYR A 131 5.084 -20.936 -2.555 1.00 0.78 H new ATOM 0 HE1 TYR A 131 7.030 -18.953 -6.612 1.00 1.14 H new ATOM 0 HE2 TYR A 131 3.820 -20.953 -4.662 1.00 0.87 H new ATOM 0 HH TYR A 131 3.682 -20.190 -6.743 1.00 1.00 H new ATOM 1943 N ILE A 132 5.788 -17.049 -1.074 1.00 0.27 N ATOM 1944 CA ILE A 132 4.462 -16.527 -0.860 1.00 0.26 C ATOM 1945 C ILE A 132 3.546 -16.984 -1.990 1.00 0.25 C ATOM 1946 O ILE A 132 3.892 -16.836 -3.160 1.00 0.25 O ATOM 1947 CB ILE A 132 4.458 -14.981 -0.799 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.454 -14.429 0.223 1.00 0.39 C ATOM 1949 CG2 ILE A 132 3.069 -14.480 -0.478 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.381 -15.059 1.591 1.00 0.23 C ATOM 0 H ILE A 132 6.493 -16.339 -1.271 1.00 0.27 H new ATOM 0 HA ILE A 132 4.105 -16.907 0.097 1.00 0.26 H new ATOM 0 HB ILE A 132 4.768 -14.623 -1.781 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.463 -14.561 -0.168 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.290 -13.356 0.325 1.00 0.39 H new ATOM 0 HG21 ILE A 132 3.076 -13.391 -0.437 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.375 -14.810 -1.251 1.00 0.26 H new ATOM 0 HG23 ILE A 132 2.753 -14.877 0.486 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.125 -14.601 2.243 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.387 -14.904 2.010 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.578 -16.128 1.510 1.00 0.23 H new ATOM 1962 N PRO A 133 2.388 -17.571 -1.651 1.00 0.27 N ATOM 1963 CA PRO A 133 1.412 -18.023 -2.647 1.00 0.28 C ATOM 1964 C PRO A 133 1.025 -16.913 -3.625 1.00 0.26 C ATOM 1965 O PRO A 133 0.885 -15.747 -3.235 1.00 0.26 O ATOM 1966 CB PRO A 133 0.204 -18.432 -1.804 1.00 0.34 C ATOM 1967 CG PRO A 133 0.766 -18.762 -0.466 1.00 0.61 C ATOM 1968 CD PRO A 133 1.944 -17.847 -0.274 1.00 0.31 C ATOM 0 HA PRO A 133 1.808 -18.827 -3.267 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.524 -17.624 -1.738 1.00 0.34 H new ATOM 0 HB3 PRO A 133 -0.310 -19.289 -2.239 1.00 0.34 H new ATOM 0 HG2 PRO A 133 0.023 -18.611 0.317 1.00 0.61 H new ATOM 0 HG3 PRO A 133 1.072 -19.807 -0.418 1.00 0.61 H new ATOM 0 HD2 PRO A 133 1.662 -16.933 0.248 1.00 0.31 H new ATOM 0 HD3 PRO A 133 2.730 -18.321 0.314 1.00 0.31 H new ATOM 1976 N PRO A 134 0.866 -17.251 -4.915 1.00 0.27 N ATOM 1977 CA PRO A 134 0.454 -16.286 -5.927 1.00 0.25 C ATOM 1978 C PRO A 134 -0.878 -15.642 -5.592 1.00 0.27 C ATOM 1979 O PRO A 134 -1.825 -16.314 -5.184 1.00 0.32 O ATOM 1980 CB PRO A 134 0.338 -17.107 -7.207 1.00 0.29 C ATOM 1981 CG PRO A 134 1.182 -18.311 -6.967 1.00 0.52 C ATOM 1982 CD PRO A 134 1.092 -18.588 -5.492 1.00 0.33 C ATOM 0 HA PRO A 134 1.165 -15.464 -6.007 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -0.697 -17.383 -7.407 1.00 0.29 H new ATOM 0 HB3 PRO A 134 0.690 -16.544 -8.071 1.00 0.29 H new ATOM 0 HG2 PRO A 134 0.824 -19.161 -7.547 1.00 0.52 H new ATOM 0 HG3 PRO A 134 2.214 -18.131 -7.269 1.00 0.52 H new ATOM 0 HD2 PRO A 134 0.275 -19.271 -5.259 1.00 0.33 H new ATOM 0 HD3 PRO A 134 2.006 -19.043 -5.111 1.00 0.33 H new ATOM 1990 N HIS A 135 -0.921 -14.328 -5.754 1.00 0.26 N ATOM 1991 CA HIS A 135 -2.122 -13.530 -5.497 1.00 0.31 C ATOM 1992 C HIS A 135 -2.457 -13.433 -4.010 1.00 0.32 C ATOM 1993 O HIS A 135 -3.491 -12.877 -3.654 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.352 -14.074 -6.238 1.00 0.41 C ATOM 1995 CG HIS A 135 -3.429 -13.711 -7.683 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -3.514 -14.649 -8.685 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -3.495 -12.505 -8.291 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -3.627 -14.038 -9.847 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -3.618 -12.733 -9.640 1.00 2.25 N ATOM 0 H HIS A 135 -0.122 -13.778 -6.069 1.00 0.26 H new ATOM 0 HA HIS A 135 -1.883 -12.535 -5.873 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.359 -15.160 -6.151 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -4.249 -13.709 -5.739 1.00 0.41 H new ATOM 0 HD2 HIS A 135 -3.458 -11.541 -7.806 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -3.713 -14.523 -10.808 1.00 2.38 H new ATOM 0 HE2 HIS A 135 -3.690 -12.015 -10.361 1.00 2.25 H new ATOM 2008 N ALA A 136 -1.601 -13.966 -3.146 1.00 0.24 N ATOM 2009 CA ALA A 136 -1.822 -13.839 -1.710 1.00 0.24 C ATOM 2010 C ALA A 136 -1.629 -12.388 -1.298 1.00 0.21 C ATOM 2011 O ALA A 136 -0.563 -11.817 -1.510 1.00 0.22 O ATOM 2012 CB ALA A 136 -0.887 -14.748 -0.931 1.00 0.26 C ATOM 0 H ALA A 136 -0.761 -14.482 -3.408 1.00 0.24 H new ATOM 0 HA ALA A 136 -2.843 -14.146 -1.481 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -1.074 -14.633 0.137 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -1.062 -15.784 -1.220 1.00 0.26 H new ATOM 0 HB3 ALA A 136 0.147 -14.480 -1.150 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.647 -11.795 -0.703 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.608 -10.372 -0.425 1.00 0.19 C ATOM 2020 C ALA A 137 -1.661 -10.105 0.734 1.00 0.16 C ATOM 2021 O ALA A 137 -1.916 -10.498 1.871 1.00 0.20 O ATOM 2022 CB ALA A 137 -4.011 -9.838 -0.140 1.00 0.22 C ATOM 0 H ALA A 137 -3.500 -12.269 -0.406 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.235 -9.844 -1.302 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.959 -8.769 0.066 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.649 -10.010 -1.007 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.428 -10.354 0.725 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.553 -9.457 0.433 1.00 0.13 N ATOM 2029 CA LEU A 138 0.471 -9.221 1.417 1.00 0.12 C ATOM 2030 C LEU A 138 0.248 -7.901 2.130 1.00 0.13 C ATOM 2031 O LEU A 138 0.034 -6.875 1.498 1.00 0.15 O ATOM 2032 CB LEU A 138 1.837 -9.228 0.752 1.00 0.13 C ATOM 2033 CG LEU A 138 2.785 -10.292 1.286 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.118 -11.646 1.277 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.061 -10.333 0.480 1.00 0.19 C ATOM 0 H LEU A 138 -0.343 -9.084 -0.493 1.00 0.13 H new ATOM 0 HA LEU A 138 0.425 -10.019 2.158 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.706 -9.379 -0.320 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.297 -8.249 0.882 1.00 0.13 H new ATOM 0 HG LEU A 138 3.039 -10.032 2.314 1.00 0.15 H new ATOM 0 HD11 LEU A 138 2.810 -12.395 1.662 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.228 -11.617 1.905 1.00 0.22 H new ATOM 0 HD13 LEU A 138 1.834 -11.905 0.257 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.721 -11.102 0.882 1.00 0.19 H new ATOM 0 HD22 LEU A 138 3.827 -10.563 -0.560 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.557 -9.364 0.535 1.00 0.19 H new ATOM 2047 N CYS A 139 0.308 -7.928 3.443 1.00 0.13 N ATOM 2048 CA CYS A 139 0.161 -6.724 4.229 1.00 0.14 C ATOM 2049 C CYS A 139 1.441 -6.464 5.005 1.00 0.13 C ATOM 2050 O CYS A 139 1.723 -7.096 6.024 1.00 0.14 O ATOM 2051 CB CYS A 139 -1.053 -6.845 5.150 1.00 0.18 C ATOM 2052 SG CYS A 139 -1.210 -5.527 6.373 1.00 1.20 S ATOM 0 H CYS A 139 0.458 -8.775 3.991 1.00 0.13 H new ATOM 0 HA CYS A 139 -0.012 -5.871 3.573 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.955 -6.863 4.538 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -1.002 -7.801 5.671 1.00 0.18 H new ATOM 0 HG CYS A 139 -2.272 -5.729 7.095 1.00 1.20 H new ATOM 2058 N LEU A 140 2.221 -5.539 4.490 1.00 0.13 N ATOM 2059 CA LEU A 140 3.556 -5.284 4.989 1.00 0.14 C ATOM 2060 C LEU A 140 3.666 -3.908 5.620 1.00 0.13 C ATOM 2061 O LEU A 140 3.163 -2.924 5.086 1.00 0.12 O ATOM 2062 CB LEU A 140 4.558 -5.415 3.851 1.00 0.17 C ATOM 2063 CG LEU A 140 4.212 -4.634 2.588 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.141 -3.445 2.446 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.296 -5.528 1.363 1.00 0.32 C ATOM 0 H LEU A 140 1.947 -4.940 3.711 1.00 0.13 H new ATOM 0 HA LEU A 140 3.775 -6.020 5.762 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.534 -5.084 4.207 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.654 -6.469 3.592 1.00 0.17 H new ATOM 0 HG LEU A 140 3.187 -4.272 2.670 1.00 0.17 H new ATOM 0 HD11 LEU A 140 4.888 -2.892 1.542 1.00 0.26 H new ATOM 0 HD12 LEU A 140 5.032 -2.793 3.313 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.172 -3.794 2.381 1.00 0.26 H new ATOM 0 HD21 LEU A 140 4.045 -4.950 0.473 1.00 0.32 H new ATOM 0 HD22 LEU A 140 5.308 -5.920 1.268 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.595 -6.356 1.468 1.00 0.32 H new ATOM 2077 N GLU A 141 4.327 -3.846 6.757 1.00 0.14 N ATOM 2078 CA GLU A 141 4.519 -2.592 7.455 1.00 0.13 C ATOM 2079 C GLU A 141 5.929 -2.084 7.187 1.00 0.12 C ATOM 2080 O GLU A 141 6.906 -2.751 7.524 1.00 0.15 O ATOM 2081 CB GLU A 141 4.275 -2.818 8.945 1.00 0.18 C ATOM 2082 CG GLU A 141 4.569 -1.631 9.839 1.00 0.26 C ATOM 2083 CD GLU A 141 4.278 -1.962 11.288 1.00 0.30 C ATOM 2084 OE1 GLU A 141 4.501 -3.114 11.702 1.00 1.00 O ATOM 2085 OE2 GLU A 141 3.834 -1.052 12.025 1.00 1.05 O ATOM 0 H GLU A 141 4.743 -4.654 7.220 1.00 0.14 H new ATOM 0 HA GLU A 141 3.816 -1.837 7.102 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.234 -3.108 9.085 1.00 0.18 H new ATOM 0 HB3 GLU A 141 4.887 -3.658 9.273 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.614 -1.339 9.731 1.00 0.26 H new ATOM 0 HG3 GLU A 141 3.966 -0.778 9.528 1.00 0.26 H new ATOM 2092 N VAL A 142 6.030 -0.929 6.545 1.00 0.12 N ATOM 2093 CA VAL A 142 7.323 -0.392 6.149 1.00 0.12 C ATOM 2094 C VAL A 142 7.642 0.924 6.849 1.00 0.12 C ATOM 2095 O VAL A 142 6.881 1.889 6.777 1.00 0.15 O ATOM 2096 CB VAL A 142 7.423 -0.208 4.620 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.600 -1.552 3.943 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.195 0.498 4.069 1.00 0.19 C ATOM 0 H VAL A 142 5.233 -0.347 6.288 1.00 0.12 H new ATOM 0 HA VAL A 142 8.062 -1.130 6.461 1.00 0.12 H new ATOM 0 HB VAL A 142 8.293 0.415 4.411 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.669 -1.410 2.865 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.512 -2.025 4.306 1.00 0.19 H new ATOM 0 HG13 VAL A 142 6.746 -2.189 4.171 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.295 0.613 2.990 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.306 -0.093 4.290 1.00 0.19 H new ATOM 0 HG23 VAL A 142 6.102 1.481 4.531 1.00 0.19 H new ATOM 2108 N THR A 143 8.760 0.929 7.561 1.00 0.13 N ATOM 2109 CA THR A 143 9.286 2.139 8.174 1.00 0.13 C ATOM 2110 C THR A 143 10.354 2.780 7.302 1.00 0.12 C ATOM 2111 O THR A 143 11.428 2.204 7.095 1.00 0.15 O ATOM 2112 CB THR A 143 9.908 1.853 9.551 1.00 0.17 C ATOM 2113 OG1 THR A 143 9.054 0.978 10.297 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.091 3.151 10.317 1.00 0.22 C ATOM 0 H THR A 143 9.326 0.097 7.729 1.00 0.13 H new ATOM 0 HA THR A 143 8.439 2.816 8.287 1.00 0.13 H new ATOM 0 HB THR A 143 10.879 1.379 9.408 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.455 0.798 11.173 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.532 2.940 11.291 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.750 3.814 9.757 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.123 3.632 10.454 1.00 0.22 H new ATOM 2122 N LEU A 144 10.061 3.966 6.800 1.00 0.13 N ATOM 2123 CA LEU A 144 11.042 4.752 6.072 1.00 0.12 C ATOM 2124 C LEU A 144 11.871 5.531 7.067 1.00 0.12 C ATOM 2125 O LEU A 144 11.431 6.536 7.607 1.00 0.14 O ATOM 2126 CB LEU A 144 10.353 5.700 5.092 1.00 0.14 C ATOM 2127 CG LEU A 144 11.297 6.535 4.222 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.194 5.631 3.389 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.501 7.465 3.325 1.00 0.13 C ATOM 0 H LEU A 144 9.146 4.409 6.884 1.00 0.13 H new ATOM 0 HA LEU A 144 11.686 4.089 5.495 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.705 5.115 4.439 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.710 6.376 5.656 1.00 0.14 H new ATOM 0 HG LEU A 144 11.928 7.138 4.875 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.858 6.241 2.777 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.788 4.999 4.049 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.579 5.004 2.743 1.00 0.15 H new ATOM 0 HD21 LEU A 144 11.185 8.053 2.712 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.848 6.877 2.679 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.898 8.134 3.939 1.00 0.13 H new ATOM 2141 N LYS A 145 13.068 5.046 7.319 1.00 0.14 N ATOM 2142 CA LYS A 145 13.879 5.567 8.405 1.00 0.17 C ATOM 2143 C LYS A 145 14.996 6.437 7.878 1.00 0.16 C ATOM 2144 O LYS A 145 15.572 7.240 8.611 1.00 0.21 O ATOM 2145 CB LYS A 145 14.450 4.407 9.210 1.00 0.26 C ATOM 2146 CG LYS A 145 13.395 3.379 9.534 1.00 0.40 C ATOM 2147 CD LYS A 145 13.972 2.087 10.074 1.00 0.60 C ATOM 2148 CE LYS A 145 14.868 1.412 9.057 1.00 0.38 C ATOM 2149 NZ LYS A 145 14.292 1.453 7.692 1.00 1.08 N ATOM 0 H LYS A 145 13.503 4.292 6.788 1.00 0.14 H new ATOM 0 HA LYS A 145 13.250 6.183 9.048 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.256 3.936 8.648 1.00 0.26 H new ATOM 0 HB3 LYS A 145 14.885 4.785 10.135 1.00 0.26 H new ATOM 0 HG2 LYS A 145 12.703 3.795 10.266 1.00 0.40 H new ATOM 0 HG3 LYS A 145 12.817 3.164 8.635 1.00 0.40 H new ATOM 0 HD2 LYS A 145 14.540 2.292 10.982 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.161 1.413 10.351 1.00 0.60 H new ATOM 0 HE2 LYS A 145 15.843 1.899 9.053 1.00 0.38 H new ATOM 0 HE3 LYS A 145 15.031 0.375 9.350 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 14.686 0.675 7.126 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 13.258 1.352 7.748 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 14.527 2.361 7.243 1.00 1.08 H new ATOM 2163 N THR A 146 15.315 6.256 6.608 1.00 0.16 N ATOM 2164 CA THR A 146 16.407 6.979 5.998 1.00 0.19 C ATOM 2165 C THR A 146 16.222 7.055 4.486 1.00 0.17 C ATOM 2166 O THR A 146 15.645 6.151 3.883 1.00 0.16 O ATOM 2167 CB THR A 146 17.753 6.287 6.305 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.867 5.998 7.709 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.928 7.150 5.873 1.00 0.37 C ATOM 0 H THR A 146 14.830 5.613 5.982 1.00 0.16 H new ATOM 0 HA THR A 146 16.413 7.987 6.413 1.00 0.19 H new ATOM 0 HB THR A 146 17.775 5.355 5.740 1.00 0.25 H new ATOM 0 HG1 THR A 146 18.725 5.558 7.884 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.861 6.635 6.102 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.869 7.334 4.800 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.897 8.100 6.406 1.00 0.37 H new ATOM 2177 N ALA A 147 16.704 8.135 3.891 1.00 0.20 N ATOM 2178 CA ALA A 147 16.694 8.305 2.449 1.00 0.19 C ATOM 2179 C ALA A 147 17.936 9.069 2.040 1.00 0.22 C ATOM 2180 O ALA A 147 18.224 10.122 2.610 1.00 0.25 O ATOM 2181 CB ALA A 147 15.443 9.056 2.016 1.00 0.21 C ATOM 0 H ALA A 147 17.114 8.920 4.397 1.00 0.20 H new ATOM 0 HA ALA A 147 16.688 7.329 1.963 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.448 9.177 0.933 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.559 8.493 2.314 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.425 10.037 2.490 1.00 0.21 H new ATOM 2187 N VAL A 148 18.689 8.552 1.077 1.00 0.24 N ATOM 2188 CA VAL A 148 19.925 9.212 0.692 1.00 0.31 C ATOM 2189 C VAL A 148 20.063 9.310 -0.816 1.00 0.34 C ATOM 2190 O VAL A 148 19.830 8.346 -1.549 1.00 0.36 O ATOM 2191 CB VAL A 148 21.177 8.528 1.286 1.00 0.42 C ATOM 2192 CG1 VAL A 148 21.078 8.458 2.803 1.00 0.92 C ATOM 2193 CG2 VAL A 148 21.387 7.140 0.712 1.00 0.75 C ATOM 0 H VAL A 148 18.472 7.699 0.561 1.00 0.24 H new ATOM 0 HA VAL A 148 19.864 10.218 1.108 1.00 0.31 H new ATOM 0 HB VAL A 148 22.040 9.135 1.012 1.00 0.42 H new ATOM 0 HG11 VAL A 148 21.968 7.973 3.204 1.00 0.92 H new ATOM 0 HG12 VAL A 148 21.000 9.466 3.209 1.00 0.92 H new ATOM 0 HG13 VAL A 148 20.195 7.884 3.084 1.00 0.92 H new ATOM 0 HG21 VAL A 148 22.277 6.694 1.155 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.520 6.519 0.936 1.00 0.75 H new ATOM 0 HG23 VAL A 148 21.515 7.209 -0.368 1.00 0.75 H new