USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=28 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 113 MET CE :methyl -174:sc= 0 (180deg=-0.0208) USER MOD Set 1.2: A 115 THR OG1 : rot 125:sc= 1.62 USER MOD Set 1.3: A 139 CYS SG : rot 68:sc= 1.26 USER MOD Set 2.1: A 111 THR OG1 : rot -112:sc= -0.0525 USER MOD Set 2.2: A 143 THR OG1 : rot 180:sc= 0.131 USER MOD Set 3.1: A 72 THR OG1 : rot -160:sc= -0.0278 USER MOD Set 3.2: A 81 GLN : amide:sc= -0.761 K(o=-0.74,f=-0.21) USER MOD Set 3.3: A 122 TYR OH : rot 150:sc= 0.0507 USER MOD Set 4.1: A 76 ASN : amide:sc= -1.09! C(o=-0.27!,f=-13!) USER MOD Set 4.2: A 78 THR OG1 : rot 82:sc= 0.825 USER MOD Set 5.1: A 67 THR OG1 : rot 37:sc= -2.16! USER MOD Set 5.2: A 146 THR OG1 : rot 180:sc= -0.387 USER MOD Set 6.1: A 42 ASN : amide:sc= -7.29! K(o=-6!,f=-2.9) USER MOD Set 6.2: A 120 TYR OH : rot 59:sc= 1.31 USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= -0.336 (180deg=-0.392) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 50:sc= 0.066 USER MOD Single : A 57 SER OG : rot -25:sc= 0.525 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -133:sc= -0.26 (180deg=-2.58!) USER MOD Single : A 64 GLN : amide:sc= -6.24! K(o=-6.2!,f=-0.77) USER MOD Single : A 69 HIS : no HE2:sc= -7.36! C(o=-7.4!,f=-9!) USER MOD Single : A 71 GLN : amide:sc= -8.39! K(o=-8.4!,f=-0.55) USER MOD Single : A 73 SER OG : rot 180:sc= -1.9! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 1:sc= 0.464 USER MOD Single : A 97 GLN : amide:sc= -2.98! K(o=-3!,f=-0.5) USER MOD Single : A 102 SER OG : rot -8:sc= -1.84! USER MOD Single : A 106 MET CE :methyl -121:sc= -2.84 (180deg=-5.54!) USER MOD Single : A 118 SER OG : rot 180:sc= 0.0842 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 CYS SG : rot 121:sc= -2.71! USER MOD Single : A 125 GLN : amide:sc= -0.0559 X(o=-0.056,f=0) USER MOD Single : A 127 SER OG : rot 180:sc= -0.244 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 30:sc= -0.271 USER MOD Single : A 135 HIS : no HD1:sc= -0.811 K(o=-0.81,f=-1.5) USER MOD Single : A 145 LYS NZ :NH3+ -137:sc= 1.56 (180deg=-1.17!) USER MOD ----------------------------------------------------------------- ATOM 489 N TRP A 36 -8.002 1.875 2.387 1.00 0.53 N ATOM 490 CA TRP A 36 -6.961 2.895 2.432 1.00 0.45 C ATOM 491 C TRP A 36 -6.807 3.557 1.064 1.00 0.46 C ATOM 492 O TRP A 36 -7.694 3.481 0.215 1.00 0.52 O ATOM 493 CB TRP A 36 -5.615 2.294 2.834 1.00 0.38 C ATOM 494 CG TRP A 36 -5.670 1.211 3.867 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.571 1.062 4.882 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.746 0.127 3.989 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.284 -0.074 5.603 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.162 -0.659 5.078 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.610 -0.264 3.274 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.479 -1.808 5.465 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -2.942 -1.393 3.662 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.375 -2.156 4.744 1.00 0.19 C ATOM 0 HA TRP A 36 -7.261 3.634 3.175 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -5.135 1.895 1.941 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -4.977 3.095 3.208 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.389 1.737 5.088 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.819 -0.423 6.398 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.266 0.315 2.430 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.811 -2.401 6.304 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -2.061 -1.699 3.118 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.824 -3.043 5.018 1.00 0.19 H new ATOM 513 N LEU A 37 -5.673 4.207 0.852 1.00 0.43 N ATOM 514 CA LEU A 37 -5.402 4.828 -0.427 1.00 0.42 C ATOM 515 C LEU A 37 -4.922 3.791 -1.438 1.00 0.37 C ATOM 516 O LEU A 37 -3.822 3.238 -1.315 1.00 0.35 O ATOM 517 CB LEU A 37 -4.361 5.941 -0.275 1.00 0.45 C ATOM 518 CG LEU A 37 -4.071 6.739 -1.548 1.00 0.46 C ATOM 519 CD1 LEU A 37 -5.332 7.438 -2.039 1.00 0.49 C ATOM 520 CD2 LEU A 37 -2.955 7.746 -1.300 1.00 0.50 C ATOM 0 H LEU A 37 -4.933 4.316 1.546 1.00 0.43 H new ATOM 0 HA LEU A 37 -6.329 5.267 -0.795 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -4.700 6.631 0.498 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -3.429 5.499 0.078 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.742 6.048 -2.324 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -5.107 8.001 -2.945 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -6.099 6.695 -2.255 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.693 8.120 -1.269 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.760 8.306 -2.215 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -3.255 8.435 -0.510 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -2.050 7.219 -0.998 1.00 0.50 H new ATOM 532 N ASP A 38 -5.778 3.517 -2.411 1.00 0.38 N ATOM 533 CA ASP A 38 -5.437 2.694 -3.559 1.00 0.41 C ATOM 534 C ASP A 38 -4.327 3.348 -4.382 1.00 0.39 C ATOM 535 O ASP A 38 -4.571 4.234 -5.196 1.00 0.44 O ATOM 536 CB ASP A 38 -6.688 2.443 -4.418 1.00 0.56 C ATOM 537 CG ASP A 38 -7.519 3.700 -4.640 1.00 1.78 C ATOM 538 OD1 ASP A 38 -8.145 4.179 -3.673 1.00 2.51 O ATOM 539 OD2 ASP A 38 -7.561 4.206 -5.780 1.00 2.14 O ATOM 0 H ASP A 38 -6.737 3.863 -2.425 1.00 0.38 H new ATOM 0 HA ASP A 38 -5.065 1.733 -3.204 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.384 2.040 -5.384 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -7.307 1.685 -3.937 1.00 0.56 H new ATOM 544 N ILE A 39 -3.100 2.893 -4.135 1.00 0.38 N ATOM 545 CA ILE A 39 -1.905 3.402 -4.804 1.00 0.38 C ATOM 546 C ILE A 39 -2.060 3.411 -6.320 1.00 0.39 C ATOM 547 O ILE A 39 -1.798 4.419 -6.972 1.00 0.46 O ATOM 548 CB ILE A 39 -0.673 2.547 -4.438 1.00 0.39 C ATOM 549 CG1 ILE A 39 -0.492 2.521 -2.918 1.00 0.40 C ATOM 550 CG2 ILE A 39 0.579 3.063 -5.143 1.00 0.41 C ATOM 551 CD1 ILE A 39 0.843 1.956 -2.464 1.00 0.43 C ATOM 0 H ILE A 39 -2.906 2.154 -3.459 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.766 4.427 -4.461 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.837 1.525 -4.781 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.595 3.535 -2.533 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -1.294 1.929 -2.477 1.00 0.40 H new ATOM 0 HG21 ILE A 39 1.433 2.443 -4.868 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.432 3.021 -6.222 1.00 0.41 H new ATOM 0 HG23 ILE A 39 0.767 4.094 -4.842 1.00 0.41 H new ATOM 0 HD11 ILE A 39 0.893 1.972 -1.375 1.00 0.43 H new ATOM 0 HD12 ILE A 39 0.943 0.930 -2.817 1.00 0.43 H new ATOM 0 HD13 ILE A 39 1.652 2.561 -2.874 1.00 0.43 H new ATOM 563 N LEU A 40 -2.489 2.286 -6.873 1.00 0.39 N ATOM 564 CA LEU A 40 -2.638 2.170 -8.320 1.00 0.49 C ATOM 565 C LEU A 40 -4.095 2.291 -8.728 1.00 0.49 C ATOM 566 O LEU A 40 -4.441 2.156 -9.899 1.00 0.62 O ATOM 567 CB LEU A 40 -2.036 0.862 -8.841 1.00 0.56 C ATOM 568 CG LEU A 40 -0.509 0.807 -8.847 1.00 0.59 C ATOM 569 CD1 LEU A 40 -0.039 -0.537 -9.366 1.00 0.62 C ATOM 570 CD2 LEU A 40 0.076 1.927 -9.697 1.00 0.72 C ATOM 0 H LEU A 40 -2.738 1.447 -6.350 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.087 2.994 -8.774 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -2.411 0.040 -8.232 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -2.394 0.695 -9.857 1.00 0.56 H new ATOM 0 HG LEU A 40 -0.161 0.939 -7.823 1.00 0.59 H new ATOM 0 HD11 LEU A 40 1.051 -0.566 -9.366 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -0.423 -1.330 -8.724 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -0.406 -0.683 -10.382 1.00 0.62 H new ATOM 0 HD21 LEU A 40 1.164 1.864 -9.683 1.00 0.72 H new ATOM 0 HD22 LEU A 40 -0.280 1.830 -10.722 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.236 2.891 -9.294 1.00 0.72 H new ATOM 582 N GLY A 41 -4.943 2.554 -7.743 1.00 0.43 N ATOM 583 CA GLY A 41 -6.360 2.726 -7.997 1.00 0.51 C ATOM 584 C GLY A 41 -7.060 1.414 -8.249 1.00 0.45 C ATOM 585 O GLY A 41 -8.226 1.379 -8.644 1.00 0.52 O ATOM 0 H GLY A 41 -4.672 2.652 -6.765 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -6.822 3.224 -7.144 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -6.496 3.379 -8.859 1.00 0.51 H new ATOM 589 N ASN A 42 -6.338 0.328 -8.030 1.00 0.39 N ATOM 590 CA ASN A 42 -6.863 -1.002 -8.274 1.00 0.42 C ATOM 591 C ASN A 42 -7.377 -1.664 -6.996 1.00 0.43 C ATOM 592 O ASN A 42 -8.087 -2.662 -7.057 1.00 0.56 O ATOM 593 CB ASN A 42 -5.798 -1.880 -8.950 1.00 0.49 C ATOM 594 CG ASN A 42 -4.443 -1.902 -8.247 1.00 0.55 C ATOM 595 OD1 ASN A 42 -3.420 -2.131 -8.879 1.00 0.95 O ATOM 596 ND2 ASN A 42 -4.409 -1.658 -6.945 1.00 0.44 N ATOM 0 H ASN A 42 -5.380 0.344 -7.681 1.00 0.39 H new ATOM 0 HA ASN A 42 -7.716 -0.898 -8.944 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -6.175 -2.901 -9.012 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -5.655 -1.530 -9.972 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -3.518 -1.658 -6.449 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -5.274 -1.470 -6.439 1.00 0.44 H new ATOM 603 N GLY A 43 -6.997 -1.123 -5.840 1.00 0.40 N ATOM 604 CA GLY A 43 -7.438 -1.698 -4.575 1.00 0.50 C ATOM 605 C GLY A 43 -6.535 -2.823 -4.098 1.00 0.45 C ATOM 606 O GLY A 43 -6.413 -3.064 -2.905 1.00 0.72 O ATOM 0 H GLY A 43 -6.396 -0.303 -5.754 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -7.470 -0.916 -3.816 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -8.454 -2.075 -4.686 1.00 0.50 H new ATOM 610 N LEU A 44 -5.876 -3.489 -5.043 1.00 0.29 N ATOM 611 CA LEU A 44 -4.937 -4.566 -4.736 1.00 0.36 C ATOM 612 C LEU A 44 -3.711 -3.977 -4.065 1.00 0.25 C ATOM 613 O LEU A 44 -2.970 -4.650 -3.363 1.00 0.27 O ATOM 614 CB LEU A 44 -4.512 -5.299 -6.022 1.00 0.60 C ATOM 615 CG LEU A 44 -5.529 -6.281 -6.619 1.00 0.51 C ATOM 616 CD1 LEU A 44 -6.853 -5.603 -6.926 1.00 1.46 C ATOM 617 CD2 LEU A 44 -4.965 -6.916 -7.874 1.00 1.56 C ATOM 0 H LEU A 44 -5.977 -3.299 -6.040 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.423 -5.281 -4.072 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -4.276 -4.551 -6.779 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -3.592 -5.845 -5.815 1.00 0.60 H new ATOM 0 HG LEU A 44 -5.718 -7.055 -5.875 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -7.546 -6.332 -7.347 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -7.273 -5.192 -6.008 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -6.692 -4.799 -7.644 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -5.695 -7.611 -8.290 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -4.745 -6.140 -8.607 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -4.049 -7.454 -7.629 1.00 1.56 H new ATOM 629 N LEU A 45 -3.508 -2.704 -4.336 1.00 0.23 N ATOM 630 CA LEU A 45 -2.392 -1.949 -3.788 1.00 0.22 C ATOM 631 C LEU A 45 -2.900 -0.765 -2.964 1.00 0.22 C ATOM 632 O LEU A 45 -3.491 0.160 -3.522 1.00 0.32 O ATOM 633 CB LEU A 45 -1.504 -1.443 -4.926 1.00 0.30 C ATOM 634 CG LEU A 45 -0.176 -0.823 -4.502 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.419 -1.573 -3.318 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.780 -0.851 -5.673 1.00 0.31 C ATOM 0 H LEU A 45 -4.115 -2.157 -4.947 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.812 -2.604 -3.138 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -1.297 -2.275 -5.599 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -2.064 -0.703 -5.498 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.348 0.208 -4.193 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.365 -1.113 -3.034 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -0.272 -1.531 -2.476 1.00 0.28 H new ATOM 0 HD13 LEU A 45 0.590 -2.613 -3.595 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.731 -0.409 -5.377 1.00 0.31 H new ATOM 0 HD22 LEU A 45 0.941 -1.882 -5.987 1.00 0.31 H new ATOM 0 HD23 LEU A 45 0.358 -0.282 -6.501 1.00 0.31 H new ATOM 648 N ARG A 46 -2.691 -0.803 -1.649 1.00 0.20 N ATOM 649 CA ARG A 46 -3.133 0.283 -0.767 1.00 0.22 C ATOM 650 C ARG A 46 -2.117 0.539 0.349 1.00 0.19 C ATOM 651 O ARG A 46 -1.578 -0.404 0.918 1.00 0.19 O ATOM 652 CB ARG A 46 -4.471 -0.061 -0.121 1.00 0.25 C ATOM 653 CG ARG A 46 -5.541 -0.523 -1.092 1.00 0.36 C ATOM 654 CD ARG A 46 -6.852 -0.798 -0.376 1.00 0.37 C ATOM 655 NE ARG A 46 -6.689 -1.797 0.690 1.00 0.54 N ATOM 656 CZ ARG A 46 -7.699 -2.394 1.322 1.00 0.75 C ATOM 657 NH1 ARG A 46 -8.952 -2.167 0.965 1.00 1.14 N ATOM 658 NH2 ARG A 46 -7.455 -3.247 2.310 1.00 0.99 N ATOM 0 H ARG A 46 -2.220 -1.570 -1.169 1.00 0.20 H new ATOM 0 HA ARG A 46 -3.231 1.176 -1.384 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.311 -0.843 0.621 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.838 0.816 0.413 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.694 0.238 -1.857 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -5.207 -1.426 -1.603 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -7.236 0.129 0.050 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.592 -1.150 -1.094 1.00 0.37 H new ATOM 0 HE ARG A 46 -5.740 -2.050 0.964 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -9.156 -1.528 0.197 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -9.715 -2.631 1.458 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.493 -3.446 2.586 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -8.229 -3.703 2.793 1.00 0.99 H new ATOM 672 N LYS A 47 -1.900 1.809 0.682 1.00 0.20 N ATOM 673 CA LYS A 47 -0.957 2.196 1.732 1.00 0.17 C ATOM 674 C LYS A 47 -1.712 2.864 2.888 1.00 0.18 C ATOM 675 O LYS A 47 -2.473 3.803 2.661 1.00 0.22 O ATOM 676 CB LYS A 47 0.060 3.193 1.159 1.00 0.23 C ATOM 677 CG LYS A 47 1.345 3.296 1.963 1.00 0.25 C ATOM 678 CD LYS A 47 2.060 4.619 1.740 1.00 0.32 C ATOM 679 CE LYS A 47 1.363 5.757 2.479 1.00 0.20 C ATOM 680 NZ LYS A 47 2.282 6.888 2.789 1.00 0.35 N ATOM 0 H LYS A 47 -2.370 2.597 0.235 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.443 1.307 2.097 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.305 2.900 0.138 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.403 4.178 1.106 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.118 3.182 3.023 1.00 0.25 H new ATOM 0 HG3 LYS A 47 2.009 2.476 1.689 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.092 4.539 2.081 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.093 4.842 0.673 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.533 6.123 1.874 1.00 0.20 H new ATOM 0 HE3 LYS A 47 0.937 5.375 3.407 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.754 7.641 3.276 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 3.051 6.552 3.403 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 2.683 7.262 1.905 1.00 0.35 H new ATOM 694 N LYS A 48 -1.519 2.384 4.116 1.00 0.16 N ATOM 695 CA LYS A 48 -2.124 3.023 5.284 1.00 0.18 C ATOM 696 C LYS A 48 -1.065 3.755 6.089 1.00 0.17 C ATOM 697 O LYS A 48 -0.091 3.147 6.536 1.00 0.22 O ATOM 698 CB LYS A 48 -2.811 2.014 6.212 1.00 0.25 C ATOM 699 CG LYS A 48 -3.625 2.689 7.314 1.00 0.32 C ATOM 700 CD LYS A 48 -3.826 1.804 8.540 1.00 0.69 C ATOM 701 CE LYS A 48 -4.390 0.443 8.182 1.00 0.52 C ATOM 702 NZ LYS A 48 -5.254 -0.102 9.262 1.00 1.07 N ATOM 0 H LYS A 48 -0.953 1.562 4.327 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.874 3.716 4.903 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.466 1.372 5.623 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.057 1.370 6.665 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -3.124 3.609 7.616 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.599 2.973 6.915 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -2.873 1.676 9.053 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -4.499 2.302 9.238 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -4.967 0.520 7.260 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -3.571 -0.250 7.988 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -5.619 -1.033 8.978 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -4.698 -0.200 10.135 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -6.050 0.546 9.430 1.00 1.07 H new ATOM 716 N THR A 49 -1.257 5.042 6.281 1.00 0.18 N ATOM 717 CA THR A 49 -0.365 5.828 7.108 1.00 0.20 C ATOM 718 C THR A 49 -0.665 5.621 8.587 1.00 0.21 C ATOM 719 O THR A 49 -1.613 6.195 9.127 1.00 0.29 O ATOM 720 CB THR A 49 -0.476 7.320 6.755 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.847 7.662 6.510 1.00 0.33 O ATOM 722 CG2 THR A 49 0.360 7.648 5.530 1.00 0.25 C ATOM 0 H THR A 49 -2.028 5.570 5.873 1.00 0.18 H new ATOM 0 HA THR A 49 0.653 5.492 6.912 1.00 0.20 H new ATOM 0 HB THR A 49 -0.101 7.901 7.597 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.402 7.339 7.250 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.266 8.709 5.299 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.405 7.411 5.729 1.00 0.25 H new ATOM 0 HG23 THR A 49 0.009 7.060 4.682 1.00 0.25 H new ATOM 730 N LEU A 50 0.129 4.771 9.233 1.00 0.18 N ATOM 731 CA LEU A 50 0.034 4.597 10.674 1.00 0.21 C ATOM 732 C LEU A 50 0.503 5.890 11.300 1.00 0.23 C ATOM 733 O LEU A 50 -0.166 6.504 12.128 1.00 0.28 O ATOM 734 CB LEU A 50 0.938 3.453 11.124 1.00 0.21 C ATOM 735 CG LEU A 50 0.947 2.239 10.201 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.098 1.327 10.565 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.374 1.495 10.273 1.00 0.24 C ATOM 0 H LEU A 50 0.841 4.196 8.782 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.987 4.359 10.971 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.957 3.829 11.215 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.626 3.133 12.118 1.00 0.21 H new ATOM 0 HG LEU A 50 1.080 2.580 9.174 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.100 0.461 9.903 1.00 0.21 H new ATOM 0 HD12 LEU A 50 3.038 1.868 10.458 1.00 0.21 H new ATOM 0 HD13 LEU A 50 1.986 0.994 11.597 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.343 0.633 9.606 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.546 1.157 11.295 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -1.183 2.160 9.970 1.00 0.24 H new ATOM 749 N VAL A 51 1.683 6.277 10.861 1.00 0.23 N ATOM 750 CA VAL A 51 2.249 7.581 11.115 1.00 0.27 C ATOM 751 C VAL A 51 2.805 8.059 9.804 1.00 0.24 C ATOM 752 O VAL A 51 3.536 7.313 9.170 1.00 0.23 O ATOM 753 CB VAL A 51 3.401 7.524 12.117 1.00 0.30 C ATOM 754 CG1 VAL A 51 3.968 8.915 12.380 1.00 0.36 C ATOM 755 CG2 VAL A 51 2.946 6.872 13.406 1.00 0.36 C ATOM 0 H VAL A 51 2.289 5.675 10.303 1.00 0.23 H new ATOM 0 HA VAL A 51 1.480 8.234 11.528 1.00 0.27 H new ATOM 0 HB VAL A 51 4.198 6.918 11.687 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.786 8.845 13.097 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.338 9.339 11.447 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.185 9.556 12.785 1.00 0.36 H new ATOM 0 HG21 VAL A 51 3.777 6.838 14.110 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.128 7.450 13.837 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.604 5.858 13.200 1.00 0.36 H new ATOM 765 N PRO A 52 2.430 9.246 9.347 1.00 0.29 N ATOM 766 CA PRO A 52 2.840 9.760 8.058 1.00 0.32 C ATOM 767 C PRO A 52 3.879 10.881 8.124 1.00 0.34 C ATOM 768 O PRO A 52 3.680 11.959 7.559 1.00 0.54 O ATOM 769 CB PRO A 52 1.506 10.266 7.552 1.00 0.41 C ATOM 770 CG PRO A 52 0.781 10.755 8.780 1.00 0.46 C ATOM 771 CD PRO A 52 1.490 10.167 9.978 1.00 0.37 C ATOM 0 HA PRO A 52 3.344 9.021 7.435 1.00 0.32 H new ATOM 0 HB2 PRO A 52 1.638 11.069 6.826 1.00 0.41 H new ATOM 0 HB3 PRO A 52 0.947 9.474 7.053 1.00 0.41 H new ATOM 0 HG2 PRO A 52 0.789 11.844 8.824 1.00 0.46 H new ATOM 0 HG3 PRO A 52 -0.264 10.444 8.760 1.00 0.46 H new ATOM 0 HD2 PRO A 52 1.999 10.930 10.567 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.802 9.653 10.649 1.00 0.37 H new ATOM 779 N GLY A 53 4.990 10.612 8.796 1.00 0.24 N ATOM 780 CA GLY A 53 6.098 11.540 8.798 1.00 0.28 C ATOM 781 C GLY A 53 5.996 12.586 9.882 1.00 0.29 C ATOM 782 O GLY A 53 4.905 13.074 10.181 1.00 0.55 O ATOM 0 H GLY A 53 5.142 9.763 9.341 1.00 0.24 H new ATOM 0 HA2 GLY A 53 7.028 10.985 8.924 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.151 12.035 7.828 1.00 0.28 H new ATOM 821 N SER A 57 8.750 16.661 7.001 1.00 0.52 N ATOM 822 CA SER A 57 9.437 15.545 6.400 1.00 0.40 C ATOM 823 C SER A 57 9.705 15.798 4.918 1.00 0.34 C ATOM 824 O SER A 57 9.475 16.897 4.406 1.00 0.43 O ATOM 825 CB SER A 57 8.586 14.291 6.581 1.00 0.40 C ATOM 826 OG SER A 57 7.207 14.594 6.444 1.00 0.99 O ATOM 0 HA SER A 57 10.402 15.412 6.889 1.00 0.40 H new ATOM 0 HB2 SER A 57 8.873 13.542 5.844 1.00 0.40 H new ATOM 0 HB3 SER A 57 8.772 13.859 7.564 1.00 0.40 H new ATOM 0 HG SER A 57 7.056 15.537 6.665 1.00 0.99 H new ATOM 832 N SER A 58 10.186 14.772 4.242 1.00 0.28 N ATOM 833 CA SER A 58 10.468 14.841 2.822 1.00 0.30 C ATOM 834 C SER A 58 10.188 13.486 2.198 1.00 0.27 C ATOM 835 O SER A 58 10.419 12.463 2.827 1.00 0.38 O ATOM 836 CB SER A 58 11.931 15.236 2.598 1.00 0.38 C ATOM 837 OG SER A 58 12.237 15.351 1.218 1.00 1.28 O ATOM 0 H SER A 58 10.392 13.866 4.663 1.00 0.28 H new ATOM 0 HA SER A 58 9.832 15.594 2.356 1.00 0.30 H new ATOM 0 HB2 SER A 58 12.132 16.185 3.096 1.00 0.38 H new ATOM 0 HB3 SER A 58 12.583 14.492 3.055 1.00 0.38 H new ATOM 0 HG SER A 58 13.177 15.606 1.112 1.00 1.28 H new ATOM 843 N ARG A 59 9.672 13.464 0.984 1.00 0.32 N ATOM 844 CA ARG A 59 9.457 12.206 0.301 1.00 0.30 C ATOM 845 C ARG A 59 10.656 11.889 -0.584 1.00 0.27 C ATOM 846 O ARG A 59 10.977 12.655 -1.498 1.00 0.34 O ATOM 847 CB ARG A 59 8.176 12.243 -0.529 1.00 0.42 C ATOM 848 CG ARG A 59 6.944 12.601 0.280 1.00 0.64 C ATOM 849 CD ARG A 59 5.673 12.422 -0.531 1.00 0.68 C ATOM 850 NE ARG A 59 5.588 13.373 -1.637 1.00 1.41 N ATOM 851 CZ ARG A 59 4.810 13.211 -2.704 1.00 1.81 C ATOM 852 NH1 ARG A 59 4.142 12.077 -2.881 1.00 1.78 N ATOM 853 NH2 ARG A 59 4.724 14.169 -3.615 1.00 2.81 N ATOM 0 H ARG A 59 9.397 14.293 0.457 1.00 0.32 H new ATOM 0 HA ARG A 59 9.346 11.421 1.049 1.00 0.30 H new ATOM 0 HB2 ARG A 59 8.295 12.967 -1.335 1.00 0.42 H new ATOM 0 HB3 ARG A 59 8.025 11.269 -0.995 1.00 0.42 H new ATOM 0 HG2 ARG A 59 6.899 11.976 1.172 1.00 0.64 H new ATOM 0 HG3 ARG A 59 7.018 13.634 0.619 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.634 11.406 -0.923 1.00 0.68 H new ATOM 0 HD3 ARG A 59 4.808 12.546 0.120 1.00 0.68 H new ATOM 0 HE ARG A 59 6.162 14.215 -1.588 1.00 1.41 H new ATOM 0 HH11 ARG A 59 4.224 11.325 -2.197 1.00 1.78 H new ATOM 0 HH12 ARG A 59 3.547 11.958 -3.701 1.00 1.78 H new ATOM 0 HH21 ARG A 59 5.255 15.032 -3.499 1.00 2.81 H new ATOM 0 HH22 ARG A 59 4.127 14.043 -4.433 1.00 2.81 H new ATOM 867 N PRO A 60 11.361 10.782 -0.285 1.00 0.23 N ATOM 868 CA PRO A 60 12.526 10.330 -1.056 1.00 0.26 C ATOM 869 C PRO A 60 12.270 10.292 -2.559 1.00 0.26 C ATOM 870 O PRO A 60 11.154 10.023 -3.006 1.00 0.28 O ATOM 871 CB PRO A 60 12.779 8.908 -0.534 1.00 0.30 C ATOM 872 CG PRO A 60 11.598 8.575 0.314 1.00 0.28 C ATOM 873 CD PRO A 60 11.100 9.883 0.844 1.00 0.21 C ATOM 0 HA PRO A 60 13.368 11.010 -0.929 1.00 0.26 H new ATOM 0 HB2 PRO A 60 12.882 8.201 -1.357 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.702 8.861 0.044 1.00 0.30 H new ATOM 0 HG2 PRO A 60 10.828 8.069 -0.268 1.00 0.28 H new ATOM 0 HG3 PRO A 60 11.876 7.903 1.126 1.00 0.28 H new ATOM 0 HD2 PRO A 60 10.041 9.844 1.100 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.634 10.190 1.743 1.00 0.21 H new ATOM 881 N VAL A 61 13.316 10.547 -3.334 1.00 0.29 N ATOM 882 CA VAL A 61 13.209 10.529 -4.781 1.00 0.31 C ATOM 883 C VAL A 61 13.573 9.144 -5.292 1.00 0.28 C ATOM 884 O VAL A 61 14.360 8.434 -4.668 1.00 0.27 O ATOM 885 CB VAL A 61 14.148 11.572 -5.431 1.00 0.40 C ATOM 886 CG1 VAL A 61 13.814 11.762 -6.905 1.00 0.81 C ATOM 887 CG2 VAL A 61 14.084 12.897 -4.684 1.00 0.88 C ATOM 0 H VAL A 61 14.247 10.768 -2.982 1.00 0.29 H new ATOM 0 HA VAL A 61 12.183 10.779 -5.050 1.00 0.31 H new ATOM 0 HB VAL A 61 15.169 11.195 -5.364 1.00 0.40 H new ATOM 0 HG11 VAL A 61 14.488 12.500 -7.339 1.00 0.81 H new ATOM 0 HG12 VAL A 61 13.929 10.813 -7.429 1.00 0.81 H new ATOM 0 HG13 VAL A 61 12.785 12.109 -7.003 1.00 0.81 H new ATOM 0 HG21 VAL A 61 14.752 13.615 -5.159 1.00 0.88 H new ATOM 0 HG22 VAL A 61 13.064 13.280 -4.709 1.00 0.88 H new ATOM 0 HG23 VAL A 61 14.390 12.746 -3.649 1.00 0.88 H new ATOM 897 N LYS A 62 12.992 8.749 -6.407 1.00 0.27 N ATOM 898 CA LYS A 62 13.334 7.475 -7.010 1.00 0.27 C ATOM 899 C LYS A 62 14.727 7.545 -7.608 1.00 0.25 C ATOM 900 O LYS A 62 15.015 8.361 -8.484 1.00 0.31 O ATOM 901 CB LYS A 62 12.303 7.067 -8.055 1.00 0.30 C ATOM 902 CG LYS A 62 10.941 6.763 -7.461 1.00 0.37 C ATOM 903 CD LYS A 62 10.142 5.855 -8.369 1.00 0.41 C ATOM 904 CE LYS A 62 8.830 5.441 -7.728 1.00 0.60 C ATOM 905 NZ LYS A 62 8.260 4.233 -8.373 1.00 1.17 N ATOM 0 H LYS A 62 12.286 9.286 -6.911 1.00 0.27 H new ATOM 0 HA LYS A 62 13.328 6.709 -6.235 1.00 0.27 H new ATOM 0 HB2 LYS A 62 12.202 7.867 -8.789 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.664 6.188 -8.589 1.00 0.30 H new ATOM 0 HG2 LYS A 62 11.063 6.292 -6.486 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.395 7.693 -7.300 1.00 0.37 H new ATOM 0 HD2 LYS A 62 9.943 6.365 -9.311 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.729 4.967 -8.605 1.00 0.41 H new ATOM 0 HE2 LYS A 62 8.989 5.246 -6.667 1.00 0.60 H new ATOM 0 HE3 LYS A 62 8.116 6.262 -7.798 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 7.250 4.387 -8.567 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 8.759 4.048 -9.266 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 8.371 3.416 -7.739 1.00 1.17 H new ATOM 919 N GLY A 63 15.575 6.677 -7.101 1.00 0.25 N ATOM 920 CA GLY A 63 16.973 6.695 -7.424 1.00 0.27 C ATOM 921 C GLY A 63 17.796 6.705 -6.162 1.00 0.30 C ATOM 922 O GLY A 63 18.932 6.240 -6.134 1.00 0.42 O ATOM 0 H GLY A 63 15.307 5.938 -6.451 1.00 0.25 H new ATOM 0 HA2 GLY A 63 17.226 5.822 -8.026 1.00 0.27 H new ATOM 0 HA3 GLY A 63 17.204 7.574 -8.025 1.00 0.27 H new ATOM 926 N GLN A 64 17.206 7.237 -5.099 1.00 0.26 N ATOM 927 CA GLN A 64 17.867 7.269 -3.808 1.00 0.28 C ATOM 928 C GLN A 64 17.684 5.927 -3.131 1.00 0.24 C ATOM 929 O GLN A 64 16.588 5.363 -3.161 1.00 0.24 O ATOM 930 CB GLN A 64 17.300 8.375 -2.903 1.00 0.30 C ATOM 931 CG GLN A 64 16.847 9.650 -3.614 1.00 0.36 C ATOM 932 CD GLN A 64 17.920 10.367 -4.424 1.00 0.44 C ATOM 933 OE1 GLN A 64 17.920 11.595 -4.496 1.00 0.59 O ATOM 934 NE2 GLN A 64 18.790 9.629 -5.089 1.00 0.43 N ATOM 0 H GLN A 64 16.274 7.650 -5.109 1.00 0.26 H new ATOM 0 HA GLN A 64 18.924 7.480 -3.971 1.00 0.28 H new ATOM 0 HB2 GLN A 64 16.452 7.968 -2.352 1.00 0.30 H new ATOM 0 HB3 GLN A 64 18.059 8.642 -2.168 1.00 0.30 H new ATOM 0 HG2 GLN A 64 16.021 9.400 -4.280 1.00 0.36 H new ATOM 0 HG3 GLN A 64 16.457 10.342 -2.868 1.00 0.36 H new ATOM 0 HE21 GLN A 64 18.764 8.613 -5.008 1.00 0.43 H new ATOM 0 HE22 GLN A 64 19.488 10.075 -5.684 1.00 0.43 H new ATOM 943 N VAL A 65 18.742 5.399 -2.544 1.00 0.28 N ATOM 944 CA VAL A 65 18.601 4.179 -1.791 1.00 0.31 C ATOM 945 C VAL A 65 18.098 4.526 -0.399 1.00 0.25 C ATOM 946 O VAL A 65 18.710 5.295 0.343 1.00 0.32 O ATOM 947 CB VAL A 65 19.896 3.323 -1.737 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.440 3.077 -3.135 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.960 3.943 -0.846 1.00 1.05 C ATOM 0 H VAL A 65 19.684 5.788 -2.575 1.00 0.28 H new ATOM 0 HA VAL A 65 17.877 3.548 -2.306 1.00 0.31 H new ATOM 0 HB VAL A 65 19.626 2.364 -1.294 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.347 2.476 -3.072 1.00 1.22 H new ATOM 0 HG12 VAL A 65 19.694 2.548 -3.728 1.00 1.22 H new ATOM 0 HG13 VAL A 65 20.670 4.031 -3.609 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.846 3.308 -0.841 1.00 1.05 H new ATOM 0 HG22 VAL A 65 21.223 4.930 -1.227 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.575 4.037 0.169 1.00 1.05 H new ATOM 959 N VAL A 66 16.936 4.015 -0.082 1.00 0.19 N ATOM 960 CA VAL A 66 16.257 4.363 1.144 1.00 0.15 C ATOM 961 C VAL A 66 16.191 3.170 2.070 1.00 0.16 C ATOM 962 O VAL A 66 16.093 2.029 1.619 1.00 0.21 O ATOM 963 CB VAL A 66 14.834 4.885 0.860 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.885 6.182 0.070 1.00 0.18 C ATOM 965 CG2 VAL A 66 14.012 3.868 0.091 1.00 0.25 C ATOM 0 H VAL A 66 16.432 3.346 -0.665 1.00 0.19 H new ATOM 0 HA VAL A 66 16.827 5.157 1.627 1.00 0.15 H new ATOM 0 HB VAL A 66 14.359 5.063 1.825 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.871 6.533 -0.119 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.428 6.935 0.641 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.393 6.010 -0.879 1.00 0.18 H new ATOM 0 HG21 VAL A 66 13.015 4.269 -0.092 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.497 3.653 -0.861 1.00 0.25 H new ATOM 0 HG23 VAL A 66 13.933 2.950 0.673 1.00 0.25 H new ATOM 975 N THR A 67 16.266 3.436 3.361 1.00 0.13 N ATOM 976 CA THR A 67 16.213 2.386 4.352 1.00 0.15 C ATOM 977 C THR A 67 14.808 2.243 4.898 1.00 0.16 C ATOM 978 O THR A 67 14.288 3.138 5.574 1.00 0.21 O ATOM 979 CB THR A 67 17.174 2.653 5.524 1.00 0.20 C ATOM 980 OG1 THR A 67 16.955 3.959 6.061 1.00 0.29 O ATOM 981 CG2 THR A 67 18.616 2.524 5.084 1.00 0.27 C ATOM 0 H THR A 67 16.364 4.376 3.745 1.00 0.13 H new ATOM 0 HA THR A 67 16.518 1.466 3.854 1.00 0.15 H new ATOM 0 HB THR A 67 16.975 1.908 6.294 1.00 0.20 H new ATOM 0 HG1 THR A 67 15.997 4.164 6.042 1.00 0.29 H new ATOM 0 HG21 THR A 67 19.274 2.718 5.931 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.793 1.516 4.710 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.821 3.246 4.293 1.00 0.27 H new ATOM 989 N VAL A 68 14.192 1.122 4.602 1.00 0.15 N ATOM 990 CA VAL A 68 12.900 0.826 5.169 1.00 0.15 C ATOM 991 C VAL A 68 13.011 -0.320 6.152 1.00 0.15 C ATOM 992 O VAL A 68 13.876 -1.174 6.027 1.00 0.17 O ATOM 993 CB VAL A 68 11.841 0.472 4.099 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.538 1.675 3.223 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.289 -0.712 3.246 1.00 0.19 C ATOM 0 H VAL A 68 14.562 0.406 3.977 1.00 0.15 H new ATOM 0 HA VAL A 68 12.569 1.733 5.675 1.00 0.15 H new ATOM 0 HB VAL A 68 10.928 0.184 4.619 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.791 1.403 2.477 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.156 2.488 3.841 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.450 1.999 2.721 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.523 -0.936 2.504 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.223 -0.464 2.741 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.442 -1.583 3.884 1.00 0.19 H new ATOM 1005 N HIS A 69 12.158 -0.319 7.143 1.00 0.14 N ATOM 1006 CA HIS A 69 11.992 -1.485 7.977 1.00 0.15 C ATOM 1007 C HIS A 69 10.711 -2.151 7.534 1.00 0.14 C ATOM 1008 O HIS A 69 9.661 -1.527 7.547 1.00 0.15 O ATOM 1009 CB HIS A 69 11.911 -1.123 9.479 1.00 0.15 C ATOM 1010 CG HIS A 69 11.629 -2.321 10.364 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.102 -2.497 11.650 1.00 0.19 N ATOM 1012 CD2 HIS A 69 10.894 -3.419 10.105 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.662 -3.666 12.109 1.00 0.18 C ATOM 1014 NE2 HIS A 69 10.934 -4.231 11.191 1.00 0.18 N ATOM 0 H HIS A 69 11.567 0.474 7.394 1.00 0.14 H new ATOM 0 HA HIS A 69 12.853 -2.144 7.868 1.00 0.15 H new ATOM 0 HB2 HIS A 69 12.850 -0.664 9.787 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.129 -0.378 9.626 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.691 -1.840 12.162 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.362 -3.620 9.187 1.00 0.18 H new ATOM 0 HE1 HIS A 69 11.875 -4.078 13.084 1.00 0.18 H new ATOM 1023 N LEU A 70 10.790 -3.410 7.154 1.00 0.15 N ATOM 1024 CA LEU A 70 9.597 -4.125 6.764 1.00 0.16 C ATOM 1025 C LEU A 70 9.441 -5.400 7.574 1.00 0.15 C ATOM 1026 O LEU A 70 10.406 -6.070 7.918 1.00 0.21 O ATOM 1027 CB LEU A 70 9.587 -4.472 5.272 1.00 0.21 C ATOM 1028 CG LEU A 70 10.394 -5.704 4.905 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.931 -6.281 3.582 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.872 -5.376 4.824 1.00 0.38 C ATOM 0 H LEU A 70 11.654 -3.950 7.108 1.00 0.15 H new ATOM 0 HA LEU A 70 8.759 -3.457 6.963 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.555 -4.621 4.954 1.00 0.21 H new ATOM 0 HB3 LEU A 70 9.973 -3.621 4.712 1.00 0.21 H new ATOM 0 HG LEU A 70 10.236 -6.445 5.689 1.00 0.31 H new ATOM 0 HD11 LEU A 70 10.525 -7.163 3.342 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.880 -6.560 3.655 1.00 0.39 H new ATOM 0 HD13 LEU A 70 10.055 -5.535 2.797 1.00 0.39 H new ATOM 0 HD21 LEU A 70 12.430 -6.274 4.560 1.00 0.38 H new ATOM 0 HD22 LEU A 70 12.034 -4.611 4.064 1.00 0.38 H new ATOM 0 HD23 LEU A 70 12.216 -5.006 5.790 1.00 0.38 H new ATOM 1042 N GLN A 71 8.214 -5.680 7.911 1.00 0.13 N ATOM 1043 CA GLN A 71 7.805 -6.968 8.452 1.00 0.14 C ATOM 1044 C GLN A 71 6.493 -7.277 7.799 1.00 0.14 C ATOM 1045 O GLN A 71 5.534 -6.512 7.914 1.00 0.14 O ATOM 1046 CB GLN A 71 7.630 -6.997 9.974 1.00 0.15 C ATOM 1047 CG GLN A 71 8.459 -5.987 10.737 1.00 0.15 C ATOM 1048 CD GLN A 71 7.783 -4.645 10.874 1.00 0.16 C ATOM 1049 OE1 GLN A 71 8.023 -3.916 11.834 1.00 0.27 O ATOM 1050 NE2 GLN A 71 6.916 -4.318 9.938 1.00 0.18 N ATOM 0 H GLN A 71 7.447 -5.014 7.820 1.00 0.13 H new ATOM 0 HA GLN A 71 8.589 -7.697 8.247 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.578 -6.829 10.206 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.881 -7.995 10.334 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.676 -6.380 11.730 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.415 -5.855 10.231 1.00 0.15 H new ATOM 0 HE21 GLN A 71 6.745 -4.952 9.157 1.00 0.18 H new ATOM 0 HE22 GLN A 71 6.415 -3.431 9.994 1.00 0.18 H new ATOM 1059 N THR A 72 6.464 -8.366 7.100 1.00 0.15 N ATOM 1060 CA THR A 72 5.403 -8.630 6.177 1.00 0.16 C ATOM 1061 C THR A 72 4.537 -9.787 6.631 1.00 0.16 C ATOM 1062 O THR A 72 5.023 -10.896 6.827 1.00 0.17 O ATOM 1063 CB THR A 72 6.002 -8.937 4.809 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.871 -7.870 4.404 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.918 -9.139 3.782 1.00 0.19 C ATOM 0 H THR A 72 7.173 -9.098 7.151 1.00 0.15 H new ATOM 0 HA THR A 72 4.766 -7.747 6.123 1.00 0.16 H new ATOM 0 HB THR A 72 6.578 -9.859 4.885 1.00 0.17 H new ATOM 0 HG1 THR A 72 6.999 -7.903 3.433 1.00 0.19 H new ATOM 0 HG21 THR A 72 5.370 -9.357 2.814 1.00 0.19 H new ATOM 0 HG22 THR A 72 4.283 -9.973 4.082 1.00 0.19 H new ATOM 0 HG23 THR A 72 4.316 -8.234 3.706 1.00 0.19 H new ATOM 1073 N SER A 73 3.260 -9.518 6.797 1.00 0.17 N ATOM 1074 CA SER A 73 2.302 -10.541 7.127 1.00 0.17 C ATOM 1075 C SER A 73 1.496 -10.898 5.892 1.00 0.15 C ATOM 1076 O SER A 73 1.293 -10.073 5.010 1.00 0.26 O ATOM 1077 CB SER A 73 1.343 -10.037 8.205 1.00 0.23 C ATOM 1078 OG SER A 73 1.962 -9.092 9.061 1.00 1.06 O ATOM 0 H SER A 73 2.861 -8.584 6.706 1.00 0.17 H new ATOM 0 HA SER A 73 2.838 -11.416 7.494 1.00 0.17 H new ATOM 0 HB2 SER A 73 0.472 -9.583 7.733 1.00 0.23 H new ATOM 0 HB3 SER A 73 0.983 -10.880 8.794 1.00 0.23 H new ATOM 0 HG SER A 73 1.318 -8.791 9.736 1.00 1.06 H new ATOM 1084 N LEU A 74 1.081 -12.138 5.817 1.00 0.19 N ATOM 1085 CA LEU A 74 0.146 -12.580 4.823 1.00 0.18 C ATOM 1086 C LEU A 74 -1.244 -12.043 5.105 1.00 0.19 C ATOM 1087 O LEU A 74 -1.515 -11.559 6.206 1.00 0.21 O ATOM 1088 CB LEU A 74 0.143 -14.099 4.818 1.00 0.22 C ATOM 1089 CG LEU A 74 1.045 -14.721 3.767 1.00 0.38 C ATOM 1090 CD1 LEU A 74 2.368 -13.988 3.711 1.00 0.84 C ATOM 1091 CD2 LEU A 74 1.255 -16.204 4.041 1.00 0.72 C ATOM 0 H LEU A 74 1.389 -12.874 6.453 1.00 0.19 H new ATOM 0 HA LEU A 74 0.444 -12.203 3.845 1.00 0.18 H new ATOM 0 HB2 LEU A 74 0.451 -14.455 5.801 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.877 -14.448 4.658 1.00 0.22 H new ATOM 0 HG LEU A 74 0.559 -14.628 2.796 1.00 0.38 H new ATOM 0 HD11 LEU A 74 3.005 -14.444 2.953 1.00 0.84 H new ATOM 0 HD12 LEU A 74 2.194 -12.942 3.457 1.00 0.84 H new ATOM 0 HD13 LEU A 74 2.859 -14.049 4.682 1.00 0.84 H new ATOM 0 HD21 LEU A 74 1.904 -16.627 3.275 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.718 -16.331 5.020 1.00 0.72 H new ATOM 0 HD23 LEU A 74 0.293 -16.717 4.025 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.118 -12.135 4.110 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.521 -11.773 4.278 1.00 0.26 C ATOM 1105 C GLU A 75 -4.137 -12.577 5.423 1.00 0.32 C ATOM 1106 O GLU A 75 -5.165 -12.209 5.982 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.294 -12.034 2.980 1.00 0.30 C ATOM 1108 CG GLU A 75 -4.222 -13.474 2.495 1.00 0.34 C ATOM 1109 CD GLU A 75 -4.939 -13.674 1.178 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -4.366 -13.334 0.126 1.00 0.82 O ATOM 1111 OE2 GLU A 75 -6.081 -14.165 1.196 1.00 1.14 O ATOM 0 H GLU A 75 -1.878 -12.459 3.173 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.582 -10.711 4.517 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.339 -11.764 3.131 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -3.906 -11.379 2.200 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -3.178 -13.766 2.385 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.659 -14.130 3.247 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.474 -13.673 5.769 1.00 0.34 N ATOM 1119 CA ASN A 76 -3.945 -14.573 6.805 1.00 0.41 C ATOM 1120 C ASN A 76 -3.351 -14.204 8.170 1.00 0.39 C ATOM 1121 O ASN A 76 -3.695 -14.804 9.190 1.00 0.51 O ATOM 1122 CB ASN A 76 -3.611 -16.023 6.420 1.00 0.50 C ATOM 1123 CG ASN A 76 -2.124 -16.305 6.311 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -1.318 -15.793 7.078 1.00 2.14 O ATOM 1125 ND2 ASN A 76 -1.744 -17.101 5.323 1.00 1.13 N ATOM 0 H ASN A 76 -2.595 -13.960 5.338 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.027 -14.477 6.892 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -4.044 -16.694 7.162 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -4.085 -16.253 5.466 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -0.754 -17.304 5.183 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -2.441 -17.511 4.702 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.448 -13.224 8.176 1.00 0.30 N ATOM 1133 CA GLY A 77 -1.890 -12.719 9.422 1.00 0.32 C ATOM 1134 C GLY A 77 -0.481 -13.213 9.701 1.00 0.32 C ATOM 1135 O GLY A 77 0.189 -12.712 10.600 1.00 0.51 O ATOM 0 H GLY A 77 -2.091 -12.769 7.336 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -1.885 -11.629 9.393 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.539 -13.013 10.247 1.00 0.32 H new ATOM 1139 N THR A 78 -0.027 -14.184 8.927 1.00 0.28 N ATOM 1140 CA THR A 78 1.277 -14.790 9.144 1.00 0.28 C ATOM 1141 C THR A 78 2.401 -13.914 8.608 1.00 0.23 C ATOM 1142 O THR A 78 2.537 -13.739 7.399 1.00 0.21 O ATOM 1143 CB THR A 78 1.358 -16.172 8.474 1.00 0.34 C ATOM 1144 OG1 THR A 78 0.300 -17.009 8.959 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.699 -16.833 8.747 1.00 0.39 C ATOM 0 H THR A 78 -0.545 -14.572 8.138 1.00 0.28 H new ATOM 0 HA THR A 78 1.399 -14.898 10.222 1.00 0.28 H new ATOM 0 HB THR A 78 1.254 -16.036 7.397 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.525 -16.810 8.469 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.729 -17.809 8.262 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.500 -16.207 8.354 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.831 -16.958 9.822 1.00 0.39 H new ATOM 1153 N ARG A 79 3.185 -13.348 9.514 1.00 0.24 N ATOM 1154 CA ARG A 79 4.382 -12.624 9.135 1.00 0.22 C ATOM 1155 C ARG A 79 5.445 -13.587 8.647 1.00 0.24 C ATOM 1156 O ARG A 79 5.850 -14.509 9.354 1.00 0.33 O ATOM 1157 CB ARG A 79 4.894 -11.780 10.286 1.00 0.25 C ATOM 1158 CG ARG A 79 3.986 -10.599 10.553 1.00 0.25 C ATOM 1159 CD ARG A 79 4.754 -9.418 11.108 1.00 0.28 C ATOM 1160 NE ARG A 79 3.987 -8.170 11.033 1.00 0.33 N ATOM 1161 CZ ARG A 79 4.362 -7.028 11.613 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.447 -7.004 12.373 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.646 -5.919 11.446 1.00 0.47 N ATOM 0 H ARG A 79 3.010 -13.378 10.518 1.00 0.24 H new ATOM 0 HA ARG A 79 4.132 -11.947 8.318 1.00 0.22 H new ATOM 0 HB2 ARG A 79 4.968 -12.394 11.184 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.899 -11.424 10.059 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.487 -10.307 9.629 1.00 0.25 H new ATOM 0 HG3 ARG A 79 3.207 -10.890 11.258 1.00 0.25 H new ATOM 0 HD2 ARG A 79 5.020 -9.616 12.146 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.687 -9.302 10.556 1.00 0.28 H new ATOM 0 HE ARG A 79 3.114 -8.175 10.506 1.00 0.33 H new ATOM 0 HH11 ARG A 79 5.991 -7.855 12.512 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.738 -6.134 12.819 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.804 -5.938 10.871 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.940 -5.050 11.893 1.00 0.47 H new ATOM 1177 N VAL A 80 5.879 -13.363 7.424 1.00 0.20 N ATOM 1178 CA VAL A 80 6.735 -14.298 6.730 1.00 0.22 C ATOM 1179 C VAL A 80 8.154 -13.773 6.608 1.00 0.21 C ATOM 1180 O VAL A 80 9.063 -14.495 6.203 1.00 0.27 O ATOM 1181 CB VAL A 80 6.175 -14.576 5.330 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.813 -15.230 5.435 1.00 0.26 C ATOM 1183 CG2 VAL A 80 6.097 -13.287 4.516 1.00 0.22 C ATOM 0 H VAL A 80 5.648 -12.528 6.885 1.00 0.20 H new ATOM 0 HA VAL A 80 6.761 -15.219 7.312 1.00 0.22 H new ATOM 0 HB VAL A 80 6.848 -15.260 4.813 1.00 0.23 H new ATOM 0 HG11 VAL A 80 4.424 -15.423 4.435 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.902 -16.171 5.978 1.00 0.26 H new ATOM 0 HG13 VAL A 80 4.131 -14.567 5.968 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.697 -13.506 3.526 1.00 0.22 H new ATOM 0 HG22 VAL A 80 5.444 -12.576 5.022 1.00 0.22 H new ATOM 0 HG23 VAL A 80 7.094 -12.858 4.418 1.00 0.22 H new ATOM 1193 N GLN A 81 8.332 -12.511 6.946 1.00 0.18 N ATOM 1194 CA GLN A 81 9.629 -11.871 6.854 1.00 0.19 C ATOM 1195 C GLN A 81 9.650 -10.639 7.740 1.00 0.19 C ATOM 1196 O GLN A 81 8.624 -9.968 7.901 1.00 0.26 O ATOM 1197 CB GLN A 81 9.940 -11.502 5.396 1.00 0.23 C ATOM 1198 CG GLN A 81 8.942 -10.542 4.773 1.00 0.23 C ATOM 1199 CD GLN A 81 9.213 -10.292 3.308 1.00 0.37 C ATOM 1200 OE1 GLN A 81 10.349 -10.360 2.841 1.00 0.59 O ATOM 1201 NE2 GLN A 81 8.159 -10.010 2.570 1.00 0.50 N ATOM 0 H GLN A 81 7.588 -11.904 7.290 1.00 0.18 H new ATOM 0 HA GLN A 81 10.398 -12.563 7.196 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.934 -11.057 5.349 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.971 -12.414 4.800 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.936 -10.944 4.889 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.971 -9.594 5.311 1.00 0.23 H new ATOM 0 HE21 GLN A 81 7.234 -9.964 2.998 1.00 0.50 H new ATOM 0 HE22 GLN A 81 8.268 -9.838 1.570 1.00 0.50 H new ATOM 1210 N GLU A 82 10.798 -10.354 8.328 1.00 0.24 N ATOM 1211 CA GLU A 82 10.943 -9.201 9.193 1.00 0.24 C ATOM 1212 C GLU A 82 12.361 -8.670 9.112 1.00 0.25 C ATOM 1213 O GLU A 82 13.292 -9.250 9.671 1.00 0.41 O ATOM 1214 CB GLU A 82 10.604 -9.563 10.635 1.00 0.35 C ATOM 1215 CG GLU A 82 10.736 -8.394 11.593 1.00 0.44 C ATOM 1216 CD GLU A 82 10.392 -8.771 13.012 1.00 0.82 C ATOM 1217 OE1 GLU A 82 11.283 -9.263 13.733 1.00 1.21 O ATOM 1218 OE2 GLU A 82 9.224 -8.583 13.412 1.00 1.34 O ATOM 0 H GLU A 82 11.647 -10.910 8.220 1.00 0.24 H new ATOM 0 HA GLU A 82 10.250 -8.429 8.859 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.584 -9.945 10.676 1.00 0.35 H new ATOM 0 HB3 GLU A 82 11.260 -10.369 10.964 1.00 0.35 H new ATOM 0 HG2 GLU A 82 11.757 -8.013 11.559 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.083 -7.585 11.267 1.00 0.44 H new ATOM 1225 N GLU A 83 12.515 -7.556 8.428 1.00 0.22 N ATOM 1226 CA GLU A 83 13.818 -6.979 8.190 1.00 0.26 C ATOM 1227 C GLU A 83 13.852 -5.563 8.740 1.00 0.23 C ATOM 1228 O GLU A 83 13.097 -4.698 8.294 1.00 0.24 O ATOM 1229 CB GLU A 83 14.123 -6.964 6.684 1.00 0.39 C ATOM 1230 CG GLU A 83 13.591 -8.171 5.916 1.00 1.20 C ATOM 1231 CD GLU A 83 14.181 -9.495 6.366 1.00 1.73 C ATOM 1232 OE1 GLU A 83 15.418 -9.641 6.318 1.00 2.59 O ATOM 1233 OE2 GLU A 83 13.407 -10.397 6.747 1.00 1.69 O ATOM 0 H GLU A 83 11.742 -7.028 8.023 1.00 0.22 H new ATOM 0 HA GLU A 83 14.574 -7.581 8.693 1.00 0.26 H new ATOM 0 HB2 GLU A 83 13.700 -6.058 6.250 1.00 0.39 H new ATOM 0 HB3 GLU A 83 15.203 -6.909 6.546 1.00 0.39 H new ATOM 0 HG2 GLU A 83 12.507 -8.211 6.027 1.00 1.20 H new ATOM 0 HG3 GLU A 83 13.798 -8.034 4.855 1.00 1.20 H new ATOM 1240 N PRO A 84 14.720 -5.306 9.725 1.00 0.23 N ATOM 1241 CA PRO A 84 14.813 -4.000 10.375 1.00 0.21 C ATOM 1242 C PRO A 84 15.317 -2.924 9.430 1.00 0.19 C ATOM 1243 O PRO A 84 15.109 -1.734 9.667 1.00 0.20 O ATOM 1244 CB PRO A 84 15.809 -4.220 11.522 1.00 0.25 C ATOM 1245 CG PRO A 84 15.948 -5.699 11.650 1.00 0.50 C ATOM 1246 CD PRO A 84 15.676 -6.265 10.287 1.00 0.31 C ATOM 0 HA PRO A 84 13.838 -3.651 10.715 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.769 -3.753 11.303 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.444 -3.778 12.449 1.00 0.25 H new ATOM 0 HG2 PRO A 84 16.948 -5.968 11.991 1.00 0.50 H new ATOM 0 HG3 PRO A 84 15.245 -6.094 12.383 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.584 -6.331 9.687 1.00 0.31 H new ATOM 0 HD3 PRO A 84 15.257 -7.270 10.342 1.00 0.31 H new ATOM 1254 N GLU A 85 15.952 -3.342 8.350 1.00 0.20 N ATOM 1255 CA GLU A 85 16.482 -2.404 7.381 1.00 0.22 C ATOM 1256 C GLU A 85 16.708 -3.054 6.045 1.00 0.24 C ATOM 1257 O GLU A 85 17.481 -4.001 5.897 1.00 0.35 O ATOM 1258 CB GLU A 85 17.771 -1.754 7.882 1.00 0.31 C ATOM 1259 CG GLU A 85 18.325 -0.716 6.920 1.00 0.34 C ATOM 1260 CD GLU A 85 19.235 0.282 7.598 1.00 0.90 C ATOM 1261 OE1 GLU A 85 18.730 1.069 8.425 1.00 1.37 O ATOM 1262 OE2 GLU A 85 20.445 0.295 7.300 1.00 1.30 O ATOM 0 H GLU A 85 16.112 -4.323 8.123 1.00 0.20 H new ATOM 0 HA GLU A 85 15.732 -1.623 7.253 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.583 -1.283 8.847 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.522 -2.527 8.045 1.00 0.31 H new ATOM 0 HG2 GLU A 85 18.874 -1.220 6.125 1.00 0.34 H new ATOM 0 HG3 GLU A 85 17.498 -0.185 6.449 1.00 0.34 H new ATOM 1269 N LEU A 86 15.997 -2.521 5.087 1.00 0.23 N ATOM 1270 CA LEU A 86 16.110 -2.907 3.718 1.00 0.24 C ATOM 1271 C LEU A 86 16.374 -1.660 2.887 1.00 0.23 C ATOM 1272 O LEU A 86 15.462 -0.876 2.631 1.00 0.25 O ATOM 1273 CB LEU A 86 14.819 -3.584 3.265 1.00 0.26 C ATOM 1274 CG LEU A 86 14.796 -4.004 1.807 1.00 0.33 C ATOM 1275 CD1 LEU A 86 15.881 -5.038 1.521 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.422 -4.541 1.441 1.00 0.38 C ATOM 0 H LEU A 86 15.307 -1.787 5.249 1.00 0.23 H new ATOM 0 HA LEU A 86 16.931 -3.613 3.591 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.651 -4.465 3.885 1.00 0.26 H new ATOM 0 HB3 LEU A 86 13.986 -2.904 3.445 1.00 0.26 H new ATOM 0 HG LEU A 86 15.002 -3.130 1.190 1.00 0.33 H new ATOM 0 HD11 LEU A 86 15.844 -5.323 0.470 1.00 0.38 H new ATOM 0 HD12 LEU A 86 16.858 -4.612 1.747 1.00 0.38 H new ATOM 0 HD13 LEU A 86 15.717 -5.919 2.142 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.416 -4.840 0.393 1.00 0.38 H new ATOM 0 HD22 LEU A 86 13.190 -5.404 2.066 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.673 -3.765 1.602 1.00 0.38 H new ATOM 1288 N VAL A 87 17.625 -1.433 2.535 1.00 0.24 N ATOM 1289 CA VAL A 87 17.966 -0.296 1.696 1.00 0.22 C ATOM 1290 C VAL A 87 17.888 -0.720 0.230 1.00 0.21 C ATOM 1291 O VAL A 87 18.359 -1.800 -0.139 1.00 0.28 O ATOM 1292 CB VAL A 87 19.368 0.265 2.036 1.00 0.27 C ATOM 1293 CG1 VAL A 87 20.471 -0.679 1.594 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.567 1.642 1.428 1.00 0.94 C ATOM 0 H VAL A 87 18.416 -2.013 2.813 1.00 0.24 H new ATOM 0 HA VAL A 87 17.252 0.506 1.883 1.00 0.22 H new ATOM 0 HB VAL A 87 19.425 0.357 3.121 1.00 0.27 H new ATOM 0 HG11 VAL A 87 21.440 -0.251 1.850 1.00 1.00 H new ATOM 0 HG12 VAL A 87 20.353 -1.638 2.099 1.00 1.00 H new ATOM 0 HG13 VAL A 87 20.413 -0.827 0.516 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.560 2.012 1.683 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.470 1.579 0.344 1.00 0.94 H new ATOM 0 HG23 VAL A 87 18.814 2.325 1.820 1.00 0.94 H new ATOM 1304 N PHE A 88 17.265 0.103 -0.599 1.00 0.17 N ATOM 1305 CA PHE A 88 17.047 -0.264 -1.993 1.00 0.19 C ATOM 1306 C PHE A 88 16.936 0.962 -2.869 1.00 0.20 C ATOM 1307 O PHE A 88 16.694 2.068 -2.387 1.00 0.23 O ATOM 1308 CB PHE A 88 15.780 -1.109 -2.125 1.00 0.21 C ATOM 1309 CG PHE A 88 14.510 -0.371 -1.811 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.067 -0.253 -0.505 1.00 0.19 C ATOM 1311 CD2 PHE A 88 13.748 0.182 -2.828 1.00 0.17 C ATOM 1312 CE1 PHE A 88 12.887 0.402 -0.217 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.563 0.831 -2.549 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.130 0.944 -1.244 1.00 0.15 C ATOM 0 H PHE A 88 16.904 1.020 -0.337 1.00 0.17 H new ATOM 0 HA PHE A 88 17.907 -0.847 -2.324 1.00 0.19 H new ATOM 0 HB2 PHE A 88 15.720 -1.496 -3.142 1.00 0.21 H new ATOM 0 HB3 PHE A 88 15.860 -1.970 -1.461 1.00 0.21 H new ATOM 0 HD1 PHE A 88 14.651 -0.678 0.298 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.086 0.104 -3.851 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.554 0.492 0.806 1.00 0.17 H new ATOM 0 HE2 PHE A 88 11.975 1.250 -3.352 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.204 1.453 -1.023 1.00 0.15 H new ATOM 1324 N THR A 89 17.095 0.747 -4.160 1.00 0.23 N ATOM 1325 CA THR A 89 17.021 1.822 -5.121 1.00 0.25 C ATOM 1326 C THR A 89 15.568 2.089 -5.496 1.00 0.21 C ATOM 1327 O THR A 89 14.931 1.267 -6.158 1.00 0.22 O ATOM 1328 CB THR A 89 17.825 1.479 -6.387 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.081 0.889 -6.016 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.073 2.726 -7.228 1.00 0.37 C ATOM 0 H THR A 89 17.277 -0.170 -4.567 1.00 0.23 H new ATOM 0 HA THR A 89 17.449 2.715 -4.666 1.00 0.25 H new ATOM 0 HB THR A 89 17.247 0.771 -6.982 1.00 0.33 H new ATOM 0 HG1 THR A 89 19.591 0.670 -6.824 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.643 2.458 -8.117 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.118 3.160 -7.526 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.635 3.454 -6.643 1.00 0.37 H new ATOM 1338 N LEU A 90 15.036 3.215 -5.027 1.00 0.19 N ATOM 1339 CA LEU A 90 13.670 3.613 -5.351 1.00 0.16 C ATOM 1340 C LEU A 90 13.509 3.757 -6.859 1.00 0.15 C ATOM 1341 O LEU A 90 14.349 4.359 -7.519 1.00 0.18 O ATOM 1342 CB LEU A 90 13.335 4.946 -4.677 1.00 0.16 C ATOM 1343 CG LEU A 90 11.843 5.236 -4.519 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.163 4.101 -3.769 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.633 6.555 -3.789 1.00 0.60 C ATOM 0 H LEU A 90 15.532 3.868 -4.420 1.00 0.19 H new ATOM 0 HA LEU A 90 12.990 2.843 -4.987 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.799 4.963 -3.691 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.787 5.752 -5.256 1.00 0.16 H new ATOM 0 HG LEU A 90 11.397 5.315 -5.510 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.100 4.320 -3.663 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.288 3.171 -4.324 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.612 3.997 -2.781 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.565 6.747 -3.685 1.00 0.60 H new ATOM 0 HD22 LEU A 90 12.090 6.501 -2.801 1.00 0.60 H new ATOM 0 HD23 LEU A 90 12.093 7.363 -4.358 1.00 0.60 H new ATOM 1357 N GLY A 91 12.456 3.185 -7.411 1.00 0.20 N ATOM 1358 CA GLY A 91 12.181 3.358 -8.822 1.00 0.23 C ATOM 1359 C GLY A 91 12.897 2.340 -9.676 1.00 0.26 C ATOM 1360 O GLY A 91 12.833 2.394 -10.903 1.00 0.37 O ATOM 0 H GLY A 91 11.785 2.603 -6.910 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.107 3.281 -8.992 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.481 4.360 -9.128 1.00 0.23 H new ATOM 1364 N ASP A 92 13.568 1.403 -9.030 1.00 0.27 N ATOM 1365 CA ASP A 92 14.359 0.409 -9.743 1.00 0.32 C ATOM 1366 C ASP A 92 13.805 -0.977 -9.470 1.00 0.30 C ATOM 1367 O ASP A 92 14.398 -1.983 -9.860 1.00 0.37 O ATOM 1368 CB ASP A 92 15.839 0.512 -9.331 1.00 0.42 C ATOM 1369 CG ASP A 92 16.761 -0.378 -10.153 1.00 0.59 C ATOM 1370 OD1 ASP A 92 16.679 -0.347 -11.400 1.00 0.93 O ATOM 1371 OD2 ASP A 92 17.580 -1.109 -9.558 1.00 0.82 O ATOM 0 H ASP A 92 13.583 1.307 -8.015 1.00 0.27 H new ATOM 0 HA ASP A 92 14.298 0.597 -10.815 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.164 1.548 -9.429 1.00 0.42 H new ATOM 0 HB3 ASP A 92 15.934 0.246 -8.278 1.00 0.42 H new ATOM 1376 N CYS A 93 12.631 -1.004 -8.823 1.00 0.28 N ATOM 1377 CA CYS A 93 11.985 -2.246 -8.388 1.00 0.27 C ATOM 1378 C CYS A 93 13.006 -3.179 -7.760 1.00 0.26 C ATOM 1379 O CYS A 93 12.999 -4.389 -7.983 1.00 0.31 O ATOM 1380 CB CYS A 93 11.218 -2.936 -9.534 1.00 0.38 C ATOM 1381 SG CYS A 93 12.190 -3.306 -11.014 1.00 0.62 S ATOM 0 H CYS A 93 12.104 -0.163 -8.587 1.00 0.28 H new ATOM 0 HA CYS A 93 11.243 -1.987 -7.633 1.00 0.27 H new ATOM 0 HB2 CYS A 93 10.796 -3.867 -9.156 1.00 0.38 H new ATOM 0 HB3 CYS A 93 10.380 -2.300 -9.821 1.00 0.38 H new ATOM 0 HG CYS A 93 13.417 -2.915 -10.836 1.00 0.62 H new ATOM 1387 N ASP A 94 13.876 -2.587 -6.944 1.00 0.27 N ATOM 1388 CA ASP A 94 14.899 -3.329 -6.227 1.00 0.33 C ATOM 1389 C ASP A 94 14.216 -4.143 -5.130 1.00 0.33 C ATOM 1390 O ASP A 94 14.785 -5.052 -4.521 1.00 0.48 O ATOM 1391 CB ASP A 94 15.921 -2.342 -5.640 1.00 0.41 C ATOM 1392 CG ASP A 94 17.163 -3.003 -5.070 1.00 0.65 C ATOM 1393 OD1 ASP A 94 17.413 -4.193 -5.356 1.00 0.96 O ATOM 1394 OD2 ASP A 94 17.908 -2.317 -4.340 1.00 1.33 O ATOM 0 H ASP A 94 13.888 -1.583 -6.765 1.00 0.27 H new ATOM 0 HA ASP A 94 15.432 -4.008 -6.892 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.221 -1.640 -6.418 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.439 -1.760 -4.854 1.00 0.41 H new ATOM 1399 N VAL A 95 12.958 -3.792 -4.929 1.00 0.23 N ATOM 1400 CA VAL A 95 12.074 -4.433 -3.977 1.00 0.21 C ATOM 1401 C VAL A 95 10.835 -4.935 -4.693 1.00 0.20 C ATOM 1402 O VAL A 95 10.870 -5.206 -5.889 1.00 0.22 O ATOM 1403 CB VAL A 95 11.639 -3.425 -2.904 1.00 0.20 C ATOM 1404 CG1 VAL A 95 12.760 -3.189 -1.918 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.214 -2.113 -3.558 1.00 0.19 C ATOM 0 H VAL A 95 12.512 -3.030 -5.440 1.00 0.23 H new ATOM 0 HA VAL A 95 12.604 -5.264 -3.512 1.00 0.21 H new ATOM 0 HB VAL A 95 10.787 -3.835 -2.362 1.00 0.20 H new ATOM 0 HG11 VAL A 95 12.436 -2.472 -1.164 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.024 -4.130 -1.435 1.00 0.23 H new ATOM 0 HG13 VAL A 95 13.630 -2.795 -2.443 1.00 0.23 H new ATOM 0 HG21 VAL A 95 10.907 -1.405 -2.788 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.051 -1.698 -4.119 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.379 -2.297 -4.234 1.00 0.19 H new ATOM 1415 N ILE A 96 9.737 -5.035 -3.965 1.00 0.19 N ATOM 1416 CA ILE A 96 8.466 -5.308 -4.573 1.00 0.19 C ATOM 1417 C ILE A 96 7.924 -3.997 -5.107 1.00 0.16 C ATOM 1418 O ILE A 96 8.122 -2.946 -4.492 1.00 0.15 O ATOM 1419 CB ILE A 96 7.474 -5.935 -3.573 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.200 -4.983 -2.404 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.028 -7.255 -3.061 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.171 -5.499 -1.422 1.00 0.29 C ATOM 0 H ILE A 96 9.710 -4.930 -2.951 1.00 0.19 H new ATOM 0 HA ILE A 96 8.595 -6.032 -5.377 1.00 0.19 H new ATOM 0 HB ILE A 96 6.530 -6.117 -4.087 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.134 -4.797 -1.873 1.00 0.25 H new ATOM 0 HG13 ILE A 96 6.862 -4.025 -2.800 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.324 -7.695 -2.354 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.176 -7.937 -3.898 1.00 0.26 H new ATOM 0 HG23 ILE A 96 8.981 -7.081 -2.562 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.032 -4.770 -0.624 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.224 -5.658 -1.937 1.00 0.29 H new ATOM 0 HD13 ILE A 96 6.515 -6.442 -0.996 1.00 0.29 H new ATOM 1434 N GLN A 97 7.272 -4.050 -6.247 1.00 0.17 N ATOM 1435 CA GLN A 97 6.824 -2.836 -6.914 1.00 0.17 C ATOM 1436 C GLN A 97 5.870 -2.045 -6.029 1.00 0.16 C ATOM 1437 O GLN A 97 5.889 -0.817 -6.038 1.00 0.16 O ATOM 1438 CB GLN A 97 6.169 -3.145 -8.256 1.00 0.19 C ATOM 1439 CG GLN A 97 6.146 -1.940 -9.182 1.00 0.25 C ATOM 1440 CD GLN A 97 7.527 -1.593 -9.711 1.00 0.31 C ATOM 1441 OE1 GLN A 97 7.908 -2.031 -10.793 1.00 0.40 O ATOM 1442 NE2 GLN A 97 8.305 -0.844 -8.938 1.00 0.32 N ATOM 0 H GLN A 97 7.038 -4.915 -6.735 1.00 0.17 H new ATOM 0 HA GLN A 97 7.707 -2.226 -7.102 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.706 -3.961 -8.740 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.149 -3.490 -8.088 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.478 -2.141 -10.020 1.00 0.25 H new ATOM 0 HG3 GLN A 97 5.738 -1.082 -8.648 1.00 0.25 H new ATOM 0 HE21 GLN A 97 7.955 -0.497 -8.045 1.00 0.32 H new ATOM 0 HE22 GLN A 97 9.253 -0.615 -9.237 1.00 0.32 H new ATOM 1451 N ALA A 98 5.062 -2.758 -5.254 1.00 0.17 N ATOM 1452 CA ALA A 98 4.169 -2.135 -4.284 1.00 0.18 C ATOM 1453 C ALA A 98 4.938 -1.201 -3.367 1.00 0.17 C ATOM 1454 O ALA A 98 4.558 -0.050 -3.167 1.00 0.20 O ATOM 1455 CB ALA A 98 3.485 -3.200 -3.453 1.00 0.20 C ATOM 0 H ALA A 98 5.007 -3.776 -5.279 1.00 0.17 H new ATOM 0 HA ALA A 98 3.422 -1.558 -4.830 1.00 0.18 H new ATOM 0 HB1 ALA A 98 2.820 -2.727 -2.731 1.00 0.20 H new ATOM 0 HB2 ALA A 98 2.906 -3.854 -4.105 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.236 -3.787 -2.924 1.00 0.20 H new ATOM 1461 N LEU A 99 6.037 -1.712 -2.836 1.00 0.17 N ATOM 1462 CA LEU A 99 6.867 -0.951 -1.905 1.00 0.17 C ATOM 1463 C LEU A 99 7.535 0.210 -2.615 1.00 0.15 C ATOM 1464 O LEU A 99 7.592 1.329 -2.100 1.00 0.15 O ATOM 1465 CB LEU A 99 7.945 -1.825 -1.267 1.00 0.19 C ATOM 1466 CG LEU A 99 8.837 -1.080 -0.269 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.007 -0.515 0.870 1.00 0.21 C ATOM 1468 CD2 LEU A 99 9.920 -1.984 0.279 1.00 0.22 C ATOM 0 H LEU A 99 6.379 -2.653 -3.032 1.00 0.17 H new ATOM 0 HA LEU A 99 6.208 -0.578 -1.121 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.466 -2.662 -0.758 1.00 0.19 H new ATOM 0 HB3 LEU A 99 8.570 -2.246 -2.054 1.00 0.19 H new ATOM 0 HG LEU A 99 9.315 -0.258 -0.802 1.00 0.18 H new ATOM 0 HD11 LEU A 99 8.658 0.011 1.569 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.267 0.179 0.471 1.00 0.21 H new ATOM 0 HD13 LEU A 99 7.500 -1.328 1.389 1.00 0.21 H new ATOM 0 HD21 LEU A 99 10.537 -1.427 0.984 1.00 0.22 H new ATOM 0 HD22 LEU A 99 9.463 -2.832 0.788 1.00 0.22 H new ATOM 0 HD23 LEU A 99 10.542 -2.345 -0.540 1.00 0.22 H new ATOM 1480 N ASP A 100 8.012 -0.071 -3.814 1.00 0.15 N ATOM 1481 CA ASP A 100 8.743 0.896 -4.615 1.00 0.16 C ATOM 1482 C ASP A 100 7.861 2.101 -4.905 1.00 0.15 C ATOM 1483 O ASP A 100 8.341 3.217 -5.096 1.00 0.16 O ATOM 1484 CB ASP A 100 9.197 0.219 -5.909 1.00 0.17 C ATOM 1485 CG ASP A 100 10.009 1.115 -6.820 1.00 0.20 C ATOM 1486 OD1 ASP A 100 9.406 1.973 -7.493 1.00 0.26 O ATOM 1487 OD2 ASP A 100 11.254 0.988 -6.846 1.00 0.21 O ATOM 0 H ASP A 100 7.903 -0.981 -4.262 1.00 0.15 H new ATOM 0 HA ASP A 100 9.620 1.249 -4.073 1.00 0.16 H new ATOM 0 HB2 ASP A 100 9.790 -0.660 -5.658 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.319 -0.133 -6.451 1.00 0.17 H new ATOM 1492 N LEU A 101 6.562 1.855 -4.935 1.00 0.16 N ATOM 1493 CA LEU A 101 5.585 2.902 -5.138 1.00 0.16 C ATOM 1494 C LEU A 101 5.134 3.527 -3.814 1.00 0.15 C ATOM 1495 O LEU A 101 4.874 4.731 -3.738 1.00 0.16 O ATOM 1496 CB LEU A 101 4.385 2.326 -5.880 1.00 0.19 C ATOM 1497 CG LEU A 101 4.698 1.703 -7.244 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.435 1.128 -7.866 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.336 2.729 -8.167 1.00 0.25 C ATOM 0 H LEU A 101 6.160 0.925 -4.819 1.00 0.16 H new ATOM 0 HA LEU A 101 6.048 3.693 -5.728 1.00 0.16 H new ATOM 0 HB2 LEU A 101 3.919 1.568 -5.251 1.00 0.19 H new ATOM 0 HB3 LEU A 101 3.650 3.119 -6.021 1.00 0.19 H new ATOM 0 HG LEU A 101 5.409 0.890 -7.099 1.00 0.22 H new ATOM 0 HD11 LEU A 101 3.674 0.689 -8.835 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.024 0.360 -7.211 1.00 0.25 H new ATOM 0 HD13 LEU A 101 2.701 1.922 -7.999 1.00 0.25 H new ATOM 0 HD21 LEU A 101 5.551 2.267 -9.131 1.00 0.25 H new ATOM 0 HD22 LEU A 101 4.652 3.565 -8.310 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.263 3.091 -7.723 1.00 0.25 H new ATOM 1511 N SER A 102 5.052 2.714 -2.764 1.00 0.15 N ATOM 1512 CA SER A 102 4.507 3.170 -1.498 1.00 0.17 C ATOM 1513 C SER A 102 5.461 4.146 -0.819 1.00 0.15 C ATOM 1514 O SER A 102 5.033 5.021 -0.069 1.00 0.18 O ATOM 1515 CB SER A 102 4.210 1.980 -0.581 1.00 0.23 C ATOM 1516 OG SER A 102 5.362 1.179 -0.376 1.00 1.01 O ATOM 0 H SER A 102 5.356 1.740 -2.769 1.00 0.15 H new ATOM 0 HA SER A 102 3.571 3.693 -1.698 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.843 2.342 0.379 1.00 0.23 H new ATOM 0 HB3 SER A 102 3.417 1.373 -1.017 1.00 0.23 H new ATOM 0 HG SER A 102 6.080 1.481 -0.970 1.00 1.01 H new ATOM 1522 N VAL A 103 6.748 4.005 -1.117 1.00 0.15 N ATOM 1523 CA VAL A 103 7.776 4.840 -0.508 1.00 0.16 C ATOM 1524 C VAL A 103 7.658 6.304 -0.920 1.00 0.16 C ATOM 1525 O VAL A 103 7.571 7.167 -0.061 1.00 0.18 O ATOM 1526 CB VAL A 103 9.177 4.321 -0.838 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.252 5.316 -0.413 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.404 2.983 -0.166 1.00 0.19 C ATOM 0 H VAL A 103 7.105 3.317 -1.780 1.00 0.15 H new ATOM 0 HA VAL A 103 7.617 4.783 0.569 1.00 0.16 H new ATOM 0 HB VAL A 103 9.247 4.197 -1.919 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.236 4.917 -0.661 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.101 6.260 -0.936 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.189 5.482 0.662 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.404 2.620 -0.406 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.309 3.097 0.914 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.663 2.267 -0.522 1.00 0.19 H new ATOM 1538 N PRO A 104 7.657 6.618 -2.227 1.00 0.17 N ATOM 1539 CA PRO A 104 7.414 7.991 -2.694 1.00 0.21 C ATOM 1540 C PRO A 104 6.027 8.501 -2.289 1.00 0.19 C ATOM 1541 O PRO A 104 5.802 9.705 -2.182 1.00 0.22 O ATOM 1542 CB PRO A 104 7.534 7.881 -4.217 1.00 0.27 C ATOM 1543 CG PRO A 104 7.347 6.434 -4.509 1.00 0.21 C ATOM 1544 CD PRO A 104 7.943 5.710 -3.349 1.00 0.17 C ATOM 0 HA PRO A 104 8.114 8.703 -2.257 1.00 0.21 H new ATOM 0 HB2 PRO A 104 6.779 8.487 -4.718 1.00 0.27 H new ATOM 0 HB3 PRO A 104 8.506 8.232 -4.564 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.291 6.190 -4.622 1.00 0.21 H new ATOM 0 HG3 PRO A 104 7.840 6.155 -5.440 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.488 4.730 -3.205 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.013 5.548 -3.478 1.00 0.17 H new ATOM 1552 N LEU A 105 5.102 7.576 -2.070 1.00 0.18 N ATOM 1553 CA LEU A 105 3.787 7.923 -1.542 1.00 0.19 C ATOM 1554 C LEU A 105 3.844 8.171 -0.036 1.00 0.22 C ATOM 1555 O LEU A 105 2.886 8.658 0.566 1.00 0.32 O ATOM 1556 CB LEU A 105 2.792 6.807 -1.836 1.00 0.18 C ATOM 1557 CG LEU A 105 2.200 6.805 -3.245 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.016 5.856 -3.315 1.00 0.53 C ATOM 1559 CD2 LEU A 105 1.785 8.212 -3.653 1.00 0.64 C ATOM 0 H LEU A 105 5.236 6.581 -2.249 1.00 0.18 H new ATOM 0 HA LEU A 105 3.462 8.841 -2.032 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.286 5.850 -1.667 1.00 0.18 H new ATOM 0 HB3 LEU A 105 1.975 6.875 -1.118 1.00 0.18 H new ATOM 0 HG LEU A 105 2.963 6.460 -3.943 1.00 0.25 H new ATOM 0 HD11 LEU A 105 0.603 5.863 -4.324 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.343 4.847 -3.064 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.251 6.176 -2.607 1.00 0.53 H new ATOM 0 HD21 LEU A 105 1.366 8.190 -4.659 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.036 8.587 -2.956 1.00 0.64 H new ATOM 0 HD23 LEU A 105 2.656 8.867 -3.637 1.00 0.64 H new ATOM 1571 N MET A 106 4.948 7.779 0.570 1.00 0.20 N ATOM 1572 CA MET A 106 5.169 7.965 1.993 1.00 0.24 C ATOM 1573 C MET A 106 6.198 9.078 2.252 1.00 0.21 C ATOM 1574 O MET A 106 7.022 9.387 1.391 1.00 0.26 O ATOM 1575 CB MET A 106 5.614 6.616 2.584 1.00 0.33 C ATOM 1576 CG MET A 106 6.975 6.616 3.252 1.00 0.53 C ATOM 1577 SD MET A 106 7.625 4.947 3.487 1.00 0.78 S ATOM 1578 CE MET A 106 6.351 4.229 4.514 1.00 0.54 C ATOM 0 H MET A 106 5.721 7.320 0.088 1.00 0.20 H new ATOM 0 HA MET A 106 4.249 8.286 2.481 1.00 0.24 H new ATOM 0 HB2 MET A 106 4.870 6.295 3.313 1.00 0.33 H new ATOM 0 HB3 MET A 106 5.620 5.873 1.786 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.674 7.194 2.647 1.00 0.53 H new ATOM 0 HG3 MET A 106 6.903 7.115 4.219 1.00 0.53 H new ATOM 0 HE1 MET A 106 6.788 3.895 5.455 1.00 0.54 H new ATOM 0 HE2 MET A 106 5.582 4.975 4.715 1.00 0.54 H new ATOM 0 HE3 MET A 106 5.905 3.378 3.999 1.00 0.54 H new ATOM 1588 N ASP A 107 6.125 9.695 3.426 1.00 0.18 N ATOM 1589 CA ASP A 107 7.077 10.739 3.807 1.00 0.18 C ATOM 1590 C ASP A 107 8.195 10.159 4.661 1.00 0.14 C ATOM 1591 O ASP A 107 8.020 9.127 5.310 1.00 0.13 O ATOM 1592 CB ASP A 107 6.376 11.856 4.584 1.00 0.25 C ATOM 1593 CG ASP A 107 6.211 13.123 3.768 1.00 0.56 C ATOM 1594 OD1 ASP A 107 7.142 13.955 3.744 1.00 0.97 O ATOM 1595 OD2 ASP A 107 5.155 13.273 3.121 1.00 0.92 O ATOM 0 H ASP A 107 5.418 9.492 4.132 1.00 0.18 H new ATOM 0 HA ASP A 107 7.500 11.152 2.891 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.395 11.507 4.908 1.00 0.25 H new ATOM 0 HB3 ASP A 107 6.948 12.081 5.484 1.00 0.25 H new ATOM 1600 N VAL A 108 9.346 10.820 4.663 1.00 0.16 N ATOM 1601 CA VAL A 108 10.465 10.382 5.482 1.00 0.16 C ATOM 1602 C VAL A 108 10.087 10.390 6.956 1.00 0.15 C ATOM 1603 O VAL A 108 9.628 11.398 7.495 1.00 0.19 O ATOM 1604 CB VAL A 108 11.727 11.257 5.249 1.00 0.21 C ATOM 1605 CG1 VAL A 108 12.586 11.349 6.503 1.00 0.68 C ATOM 1606 CG2 VAL A 108 12.545 10.692 4.097 1.00 0.80 C ATOM 0 H VAL A 108 9.527 11.657 4.109 1.00 0.16 H new ATOM 0 HA VAL A 108 10.706 9.362 5.182 1.00 0.16 H new ATOM 0 HB VAL A 108 11.394 12.264 5.000 1.00 0.21 H new ATOM 0 HG11 VAL A 108 13.459 11.969 6.301 1.00 0.68 H new ATOM 0 HG12 VAL A 108 12.004 11.793 7.311 1.00 0.68 H new ATOM 0 HG13 VAL A 108 12.910 10.350 6.796 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.428 11.311 3.940 1.00 0.80 H new ATOM 0 HG22 VAL A 108 12.853 9.674 4.335 1.00 0.80 H new ATOM 0 HG23 VAL A 108 11.940 10.686 3.190 1.00 0.80 H new ATOM 1616 N GLY A 109 10.271 9.246 7.590 1.00 0.15 N ATOM 1617 CA GLY A 109 10.053 9.139 9.014 1.00 0.17 C ATOM 1618 C GLY A 109 8.706 8.548 9.349 1.00 0.18 C ATOM 1619 O GLY A 109 8.326 8.494 10.516 1.00 0.28 O ATOM 0 H GLY A 109 10.570 8.382 7.139 1.00 0.15 H new ATOM 0 HA2 GLY A 109 10.837 8.521 9.453 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.135 10.127 9.466 1.00 0.17 H new ATOM 1623 N GLU A 110 7.976 8.106 8.335 1.00 0.13 N ATOM 1624 CA GLU A 110 6.672 7.529 8.573 1.00 0.13 C ATOM 1625 C GLU A 110 6.739 6.017 8.590 1.00 0.10 C ATOM 1626 O GLU A 110 7.752 5.413 8.227 1.00 0.12 O ATOM 1627 CB GLU A 110 5.637 7.988 7.541 1.00 0.17 C ATOM 1628 CG GLU A 110 5.659 7.262 6.207 1.00 0.20 C ATOM 1629 CD GLU A 110 4.401 7.521 5.391 1.00 0.27 C ATOM 1630 OE1 GLU A 110 4.152 8.686 5.022 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.670 6.551 5.084 1.00 0.39 O ATOM 0 H GLU A 110 8.263 8.137 7.357 1.00 0.13 H new ATOM 0 HA GLU A 110 6.352 7.884 9.552 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.644 7.876 7.977 1.00 0.17 H new ATOM 0 HB3 GLU A 110 5.785 9.052 7.356 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.532 7.580 5.637 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.764 6.191 6.380 1.00 0.20 H new ATOM 1638 N THR A 111 5.655 5.417 9.036 1.00 0.10 N ATOM 1639 CA THR A 111 5.505 3.991 9.002 1.00 0.11 C ATOM 1640 C THR A 111 4.142 3.666 8.435 1.00 0.11 C ATOM 1641 O THR A 111 3.116 4.061 8.992 1.00 0.12 O ATOM 1642 CB THR A 111 5.676 3.368 10.400 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.917 3.806 10.969 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.668 1.850 10.326 1.00 0.19 C ATOM 0 H THR A 111 4.856 5.912 9.432 1.00 0.10 H new ATOM 0 HA THR A 111 6.284 3.565 8.370 1.00 0.11 H new ATOM 0 HB THR A 111 4.842 3.690 11.023 1.00 0.16 H new ATOM 0 HG1 THR A 111 7.535 3.048 11.029 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.790 1.436 11.327 1.00 0.19 H new ATOM 0 HG22 THR A 111 4.721 1.511 9.907 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.487 1.512 9.691 1.00 0.19 H new ATOM 1652 N ALA A 112 4.135 2.991 7.307 1.00 0.12 N ATOM 1653 CA ALA A 112 2.904 2.693 6.623 1.00 0.13 C ATOM 1654 C ALA A 112 2.700 1.199 6.524 1.00 0.12 C ATOM 1655 O ALA A 112 3.643 0.445 6.297 1.00 0.13 O ATOM 1656 CB ALA A 112 2.903 3.320 5.238 1.00 0.18 C ATOM 0 H ALA A 112 4.973 2.638 6.845 1.00 0.12 H new ATOM 0 HA ALA A 112 2.080 3.116 7.197 1.00 0.13 H new ATOM 0 HB1 ALA A 112 1.966 3.086 4.733 1.00 0.18 H new ATOM 0 HB2 ALA A 112 3.006 4.401 5.328 1.00 0.18 H new ATOM 0 HB3 ALA A 112 3.736 2.923 4.658 1.00 0.18 H new ATOM 1662 N MET A 113 1.469 0.777 6.710 1.00 0.12 N ATOM 1663 CA MET A 113 1.104 -0.602 6.498 1.00 0.12 C ATOM 1664 C MET A 113 0.497 -0.698 5.118 1.00 0.12 C ATOM 1665 O MET A 113 -0.519 -0.068 4.845 1.00 0.14 O ATOM 1666 CB MET A 113 0.103 -1.073 7.556 1.00 0.16 C ATOM 1667 CG MET A 113 -0.712 -2.289 7.135 1.00 0.25 C ATOM 1668 SD MET A 113 -1.862 -2.839 8.408 1.00 0.53 S ATOM 1669 CE MET A 113 -0.742 -3.699 9.509 1.00 1.32 C ATOM 0 H MET A 113 0.700 1.376 7.010 1.00 0.12 H new ATOM 0 HA MET A 113 1.982 -1.242 6.580 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.643 -1.309 8.473 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.578 -0.254 7.788 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.268 -2.051 6.229 1.00 0.25 H new ATOM 0 HG3 MET A 113 -0.034 -3.106 6.887 1.00 0.25 H new ATOM 0 HE1 MET A 113 -1.313 -4.191 10.296 1.00 1.32 H new ATOM 0 HE2 MET A 113 -0.181 -4.445 8.947 1.00 1.32 H new ATOM 0 HE3 MET A 113 -0.050 -2.985 9.955 1.00 1.32 H new ATOM 1679 N VAL A 114 1.124 -1.446 4.245 1.00 0.12 N ATOM 1680 CA VAL A 114 0.669 -1.525 2.878 1.00 0.12 C ATOM 1681 C VAL A 114 0.165 -2.911 2.599 1.00 0.13 C ATOM 1682 O VAL A 114 0.809 -3.896 2.956 1.00 0.16 O ATOM 1683 CB VAL A 114 1.805 -1.207 1.887 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.274 -0.915 0.492 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.650 -0.061 2.394 1.00 0.17 C ATOM 0 H VAL A 114 1.949 -2.008 4.455 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.126 -0.791 2.747 1.00 0.12 H new ATOM 0 HB VAL A 114 2.434 -2.094 1.814 1.00 0.15 H new ATOM 0 HG11 VAL A 114 2.107 -0.696 -0.176 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.730 -1.783 0.121 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.604 -0.056 0.530 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.446 0.148 1.680 1.00 0.17 H new ATOM 0 HG22 VAL A 114 2.027 0.826 2.512 1.00 0.17 H new ATOM 0 HG23 VAL A 114 3.087 -0.329 3.356 1.00 0.17 H new ATOM 1695 N THR A 115 -0.988 -2.998 1.993 1.00 0.14 N ATOM 1696 CA THR A 115 -1.464 -4.269 1.551 1.00 0.14 C ATOM 1697 C THR A 115 -1.488 -4.289 0.047 1.00 0.13 C ATOM 1698 O THR A 115 -2.223 -3.544 -0.608 1.00 0.16 O ATOM 1699 CB THR A 115 -2.837 -4.625 2.131 1.00 0.17 C ATOM 1700 OG1 THR A 115 -2.771 -4.594 3.558 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.240 -6.012 1.694 1.00 0.20 C ATOM 0 H THR A 115 -1.606 -2.210 1.798 1.00 0.14 H new ATOM 0 HA THR A 115 -0.779 -5.032 1.920 1.00 0.14 H new ATOM 0 HB THR A 115 -3.570 -3.903 1.772 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.455 -3.983 3.904 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.217 -6.255 2.111 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.291 -6.050 0.606 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.504 -6.733 2.049 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.637 -5.128 -0.474 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.459 -5.279 -1.895 1.00 0.13 C ATOM 1711 C ALA A 116 -0.662 -6.718 -2.281 1.00 0.12 C ATOM 1712 O ALA A 116 -0.167 -7.615 -1.600 1.00 0.13 O ATOM 1713 CB ALA A 116 0.929 -4.829 -2.290 1.00 0.15 C ATOM 0 H ALA A 116 -0.037 -5.736 0.083 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.192 -4.663 -2.416 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.057 -4.946 -3.366 1.00 0.15 H new ATOM 0 HB2 ALA A 116 1.062 -3.781 -2.020 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.670 -5.435 -1.769 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.400 -6.946 -3.354 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.536 -8.288 -3.890 1.00 0.13 C ATOM 1721 C ASP A 117 -0.151 -8.875 -4.096 1.00 0.11 C ATOM 1722 O ASP A 117 0.794 -8.142 -4.394 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.278 -8.278 -5.222 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.731 -9.662 -5.645 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -1.875 -10.487 -6.030 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -3.950 -9.928 -5.582 1.00 0.58 O ATOM 0 H ASP A 117 -1.910 -6.226 -3.867 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.109 -8.889 -3.184 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -3.146 -7.623 -5.146 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.630 -7.860 -5.992 1.00 0.16 H new ATOM 1731 N SER A 118 -0.020 -10.179 -3.927 1.00 0.13 N ATOM 1732 CA SER A 118 1.266 -10.832 -4.066 1.00 0.16 C ATOM 1733 C SER A 118 1.866 -10.531 -5.439 1.00 0.13 C ATOM 1734 O SER A 118 3.071 -10.505 -5.604 1.00 0.15 O ATOM 1735 CB SER A 118 1.121 -12.339 -3.867 1.00 0.27 C ATOM 1736 OG SER A 118 2.321 -12.922 -3.394 1.00 0.82 O ATOM 0 H SER A 118 -0.790 -10.805 -3.693 1.00 0.13 H new ATOM 0 HA SER A 118 1.938 -10.445 -3.300 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.316 -12.537 -3.159 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.837 -12.805 -4.811 1.00 0.27 H new ATOM 0 HG SER A 118 2.192 -13.886 -3.275 1.00 0.82 H new ATOM 1742 N LYS A 119 1.022 -10.284 -6.423 1.00 0.13 N ATOM 1743 CA LYS A 119 1.494 -9.885 -7.742 1.00 0.14 C ATOM 1744 C LYS A 119 2.376 -8.633 -7.667 1.00 0.14 C ATOM 1745 O LYS A 119 3.277 -8.456 -8.483 1.00 0.18 O ATOM 1746 CB LYS A 119 0.312 -9.644 -8.669 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.722 -8.713 -8.101 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.909 -8.564 -9.036 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.638 -9.890 -9.208 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.877 -9.757 -10.021 1.00 0.81 N ATOM 0 H LYS A 119 0.008 -10.351 -6.338 1.00 0.13 H new ATOM 0 HA LYS A 119 2.102 -10.696 -8.141 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.678 -9.235 -9.611 1.00 0.17 H new ATOM 0 HB3 LYS A 119 -0.159 -10.600 -8.898 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -1.062 -9.090 -7.136 1.00 0.19 H new ATOM 0 HG3 LYS A 119 -0.274 -7.736 -7.921 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.596 -7.816 -8.641 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.569 -8.203 -10.007 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -1.971 -10.609 -9.683 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -2.892 -10.291 -8.227 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -4.336 -10.686 -10.109 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -4.528 -9.092 -9.556 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -3.635 -9.400 -10.967 1.00 0.81 H new ATOM 1764 N TYR A 120 2.130 -7.773 -6.676 1.00 0.13 N ATOM 1765 CA TYR A 120 2.965 -6.594 -6.460 1.00 0.15 C ATOM 1766 C TYR A 120 3.993 -6.880 -5.383 1.00 0.15 C ATOM 1767 O TYR A 120 4.794 -6.016 -5.019 1.00 0.19 O ATOM 1768 CB TYR A 120 2.118 -5.382 -6.058 1.00 0.16 C ATOM 1769 CG TYR A 120 1.082 -5.009 -7.066 1.00 0.20 C ATOM 1770 CD1 TYR A 120 -0.180 -5.560 -7.010 1.00 0.23 C ATOM 1771 CD2 TYR A 120 1.373 -4.106 -8.073 1.00 0.28 C ATOM 1772 CE1 TYR A 120 -1.142 -5.213 -7.934 1.00 0.30 C ATOM 1773 CE2 TYR A 120 0.422 -3.746 -9.002 1.00 0.34 C ATOM 1774 CZ TYR A 120 -0.840 -4.330 -8.942 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.806 -3.948 -9.849 1.00 0.42 O ATOM 0 H TYR A 120 1.361 -7.872 -6.013 1.00 0.13 H new ATOM 0 HA TYR A 120 3.472 -6.361 -7.397 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.627 -5.593 -5.108 1.00 0.16 H new ATOM 0 HB3 TYR A 120 2.776 -4.529 -5.895 1.00 0.16 H new ATOM 0 HD1 TYR A 120 -0.418 -6.272 -6.233 1.00 0.23 H new ATOM 0 HD2 TYR A 120 2.362 -3.676 -8.132 1.00 0.28 H new ATOM 0 HE1 TYR A 120 -2.134 -5.635 -7.866 1.00 0.30 H new ATOM 0 HE2 TYR A 120 0.653 -3.020 -9.767 1.00 0.34 H new ATOM 0 HH TYR A 120 -2.555 -3.533 -9.373 1.00 0.42 H new ATOM 1785 N CYS A 121 3.960 -8.105 -4.893 1.00 0.14 N ATOM 1786 CA CYS A 121 4.842 -8.539 -3.830 1.00 0.15 C ATOM 1787 C CYS A 121 5.673 -9.740 -4.276 1.00 0.16 C ATOM 1788 O CYS A 121 6.752 -9.568 -4.834 1.00 0.18 O ATOM 1789 CB CYS A 121 4.038 -8.872 -2.579 1.00 0.14 C ATOM 1790 SG CYS A 121 3.048 -7.491 -1.962 1.00 0.16 S ATOM 0 H CYS A 121 3.319 -8.827 -5.222 1.00 0.14 H new ATOM 0 HA CYS A 121 5.526 -7.724 -3.593 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.378 -9.712 -2.795 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.721 -9.197 -1.794 1.00 0.14 H new ATOM 0 HG CYS A 121 1.793 -7.829 -1.949 1.00 0.16 H new ATOM 1796 N TYR A 122 5.179 -10.961 -4.046 1.00 0.16 N ATOM 1797 CA TYR A 122 5.910 -12.149 -4.470 1.00 0.18 C ATOM 1798 C TYR A 122 4.968 -13.253 -4.972 1.00 0.18 C ATOM 1799 O TYR A 122 5.192 -14.417 -4.670 1.00 0.20 O ATOM 1800 CB TYR A 122 6.748 -12.717 -3.317 1.00 0.19 C ATOM 1801 CG TYR A 122 7.479 -11.693 -2.472 1.00 0.20 C ATOM 1802 CD1 TYR A 122 8.733 -11.220 -2.839 1.00 0.21 C ATOM 1803 CD2 TYR A 122 6.919 -11.214 -1.296 1.00 0.19 C ATOM 1804 CE1 TYR A 122 9.403 -10.295 -2.057 1.00 0.23 C ATOM 1805 CE2 TYR A 122 7.579 -10.293 -0.516 1.00 0.20 C ATOM 1806 CZ TYR A 122 8.819 -9.837 -0.897 1.00 0.22 C ATOM 1807 OH TYR A 122 9.472 -8.918 -0.115 1.00 0.24 O ATOM 0 H TYR A 122 4.292 -11.147 -3.577 1.00 0.16 H new ATOM 0 HA TYR A 122 6.560 -11.836 -5.287 1.00 0.18 H new ATOM 0 HB2 TYR A 122 6.093 -13.297 -2.667 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.481 -13.410 -3.731 1.00 0.19 H new ATOM 0 HD1 TYR A 122 9.192 -11.580 -3.748 1.00 0.21 H new ATOM 0 HD2 TYR A 122 5.947 -11.571 -0.988 1.00 0.19 H new ATOM 0 HE1 TYR A 122 10.377 -9.935 -2.354 1.00 0.23 H new ATOM 0 HE2 TYR A 122 7.124 -9.929 0.393 1.00 0.20 H new ATOM 0 HH TYR A 122 8.815 -8.358 0.349 1.00 0.24 H new ATOM 1817 N GLY A 123 3.936 -12.896 -5.744 1.00 0.19 N ATOM 1818 CA GLY A 123 3.001 -13.893 -6.263 1.00 0.21 C ATOM 1819 C GLY A 123 3.682 -15.039 -6.984 1.00 0.21 C ATOM 1820 O GLY A 123 3.864 -16.107 -6.416 1.00 0.25 O ATOM 0 H GLY A 123 3.731 -11.936 -6.019 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.412 -14.292 -5.437 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.305 -13.406 -6.946 1.00 0.21 H new ATOM 1824 N PRO A 124 4.062 -14.851 -8.250 1.00 0.25 N ATOM 1825 CA PRO A 124 4.838 -15.840 -8.990 1.00 0.30 C ATOM 1826 C PRO A 124 6.328 -15.645 -8.762 1.00 0.30 C ATOM 1827 O PRO A 124 7.167 -16.254 -9.424 1.00 0.34 O ATOM 1828 CB PRO A 124 4.473 -15.535 -10.436 1.00 0.37 C ATOM 1829 CG PRO A 124 4.216 -14.064 -10.460 1.00 0.58 C ATOM 1830 CD PRO A 124 3.746 -13.675 -9.077 1.00 0.32 C ATOM 0 HA PRO A 124 4.625 -16.867 -8.692 1.00 0.30 H new ATOM 0 HB2 PRO A 124 5.282 -15.807 -11.114 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.592 -16.096 -10.749 1.00 0.37 H new ATOM 0 HG2 PRO A 124 5.121 -13.519 -10.727 1.00 0.58 H new ATOM 0 HG3 PRO A 124 3.462 -13.816 -11.207 1.00 0.58 H new ATOM 0 HD2 PRO A 124 4.260 -12.784 -8.717 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.679 -13.454 -9.066 1.00 0.32 H new ATOM 1838 N GLN A 125 6.634 -14.791 -7.799 1.00 0.27 N ATOM 1839 CA GLN A 125 7.996 -14.369 -7.542 1.00 0.30 C ATOM 1840 C GLN A 125 8.539 -15.093 -6.327 1.00 0.32 C ATOM 1841 O GLN A 125 9.649 -15.621 -6.344 1.00 0.39 O ATOM 1842 CB GLN A 125 8.020 -12.859 -7.317 1.00 0.30 C ATOM 1843 CG GLN A 125 7.331 -12.084 -8.426 1.00 0.33 C ATOM 1844 CD GLN A 125 7.139 -10.617 -8.095 1.00 0.35 C ATOM 1845 OE1 GLN A 125 7.998 -9.780 -8.375 1.00 0.65 O ATOM 1846 NE2 GLN A 125 5.991 -10.293 -7.517 1.00 0.29 N ATOM 0 H GLN A 125 5.944 -14.373 -7.175 1.00 0.27 H new ATOM 0 HA GLN A 125 8.624 -14.613 -8.399 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.537 -12.631 -6.367 1.00 0.30 H new ATOM 0 HB3 GLN A 125 9.055 -12.525 -7.236 1.00 0.30 H new ATOM 0 HG2 GLN A 125 7.918 -12.170 -9.340 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.359 -12.535 -8.627 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.306 -11.017 -7.302 1.00 0.29 H new ATOM 0 HE22 GLN A 125 5.793 -9.319 -7.287 1.00 0.29 H new ATOM 1855 N GLY A 126 7.730 -15.123 -5.282 1.00 0.27 N ATOM 1856 CA GLY A 126 8.124 -15.747 -4.044 1.00 0.27 C ATOM 1857 C GLY A 126 9.031 -14.871 -3.215 1.00 0.28 C ATOM 1858 O GLY A 126 9.883 -14.152 -3.737 1.00 0.30 O ATOM 0 H GLY A 126 6.794 -14.719 -5.273 1.00 0.27 H new ATOM 0 HA2 GLY A 126 7.233 -15.992 -3.465 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.632 -16.687 -4.261 1.00 0.27 H new ATOM 1862 N SER A 127 8.834 -14.931 -1.916 1.00 0.27 N ATOM 1863 CA SER A 127 9.576 -14.102 -0.990 1.00 0.28 C ATOM 1864 C SER A 127 10.857 -14.796 -0.515 1.00 0.32 C ATOM 1865 O SER A 127 11.025 -16.000 -0.702 1.00 0.33 O ATOM 1866 CB SER A 127 8.668 -13.713 0.193 1.00 0.27 C ATOM 1867 OG SER A 127 9.398 -13.186 1.290 1.00 0.30 O ATOM 0 H SER A 127 8.158 -15.553 -1.473 1.00 0.27 H new ATOM 0 HA SER A 127 9.888 -13.193 -1.505 1.00 0.28 H new ATOM 0 HB2 SER A 127 7.938 -12.976 -0.141 1.00 0.27 H new ATOM 0 HB3 SER A 127 8.109 -14.589 0.521 1.00 0.27 H new ATOM 0 HG SER A 127 8.779 -12.953 2.013 1.00 0.30 H new ATOM 1873 N ARG A 128 11.760 -14.004 0.077 1.00 0.38 N ATOM 1874 CA ARG A 128 13.095 -14.469 0.459 1.00 0.42 C ATOM 1875 C ARG A 128 13.037 -15.683 1.379 1.00 0.42 C ATOM 1876 O ARG A 128 13.706 -16.684 1.124 1.00 0.52 O ATOM 1877 CB ARG A 128 13.906 -13.337 1.112 1.00 0.52 C ATOM 1878 CG ARG A 128 13.165 -12.570 2.200 1.00 1.12 C ATOM 1879 CD ARG A 128 14.084 -11.587 2.908 1.00 1.41 C ATOM 1880 NE ARG A 128 14.796 -10.725 1.965 1.00 1.81 N ATOM 1881 CZ ARG A 128 15.691 -9.803 2.325 1.00 2.33 C ATOM 1882 NH1 ARG A 128 15.943 -9.572 3.606 1.00 2.45 N ATOM 1883 NH2 ARG A 128 16.323 -9.088 1.403 1.00 3.17 N ATOM 0 H ARG A 128 11.584 -13.025 0.303 1.00 0.38 H new ATOM 0 HA ARG A 128 13.599 -14.776 -0.457 1.00 0.42 H new ATOM 0 HB2 ARG A 128 14.815 -13.760 1.539 1.00 0.52 H new ATOM 0 HB3 ARG A 128 14.214 -12.635 0.337 1.00 0.52 H new ATOM 0 HG2 ARG A 128 12.324 -12.033 1.761 1.00 1.12 H new ATOM 0 HG3 ARG A 128 12.752 -13.271 2.925 1.00 1.12 H new ATOM 0 HD2 ARG A 128 13.499 -10.971 3.591 1.00 1.41 H new ATOM 0 HD3 ARG A 128 14.806 -12.136 3.513 1.00 1.41 H new ATOM 0 HE ARG A 128 14.596 -10.835 0.971 1.00 1.81 H new ATOM 0 HH11 ARG A 128 15.451 -10.101 4.326 1.00 2.45 H new ATOM 0 HH12 ARG A 128 16.629 -8.865 3.871 1.00 2.45 H new ATOM 0 HH21 ARG A 128 16.125 -9.242 0.414 1.00 3.17 H new ATOM 0 HH22 ARG A 128 17.006 -8.384 1.683 1.00 3.17 H new ATOM 1897 N SER A 129 12.246 -15.605 2.438 1.00 0.42 N ATOM 1898 CA SER A 129 12.097 -16.744 3.323 1.00 0.44 C ATOM 1899 C SER A 129 11.094 -17.740 2.731 1.00 0.41 C ATOM 1900 O SER A 129 11.464 -18.879 2.445 1.00 0.44 O ATOM 1901 CB SER A 129 11.695 -16.306 4.735 1.00 0.48 C ATOM 1902 OG SER A 129 12.657 -15.419 5.288 1.00 1.23 O ATOM 0 H SER A 129 11.707 -14.780 2.701 1.00 0.42 H new ATOM 0 HA SER A 129 13.062 -17.243 3.412 1.00 0.44 H new ATOM 0 HB2 SER A 129 10.721 -15.818 4.704 1.00 0.48 H new ATOM 0 HB3 SER A 129 11.593 -17.182 5.376 1.00 0.48 H new ATOM 0 HG SER A 129 12.377 -15.153 6.189 1.00 1.23 H new ATOM 1908 N PRO A 130 9.811 -17.357 2.540 1.00 0.37 N ATOM 1909 CA PRO A 130 8.836 -18.189 1.884 1.00 0.36 C ATOM 1910 C PRO A 130 8.490 -17.692 0.486 1.00 0.32 C ATOM 1911 O PRO A 130 8.137 -16.532 0.309 1.00 0.27 O ATOM 1912 CB PRO A 130 7.611 -17.998 2.792 1.00 0.37 C ATOM 1913 CG PRO A 130 7.871 -16.725 3.560 1.00 0.37 C ATOM 1914 CD PRO A 130 9.143 -16.145 2.997 1.00 0.37 C ATOM 0 HA PRO A 130 9.182 -19.215 1.755 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.696 -17.922 2.205 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.487 -18.845 3.467 1.00 0.37 H new ATOM 0 HG2 PRO A 130 7.042 -16.027 3.447 1.00 0.37 H new ATOM 0 HG3 PRO A 130 7.974 -16.928 4.626 1.00 0.37 H new ATOM 0 HD2 PRO A 130 8.954 -15.444 2.184 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.723 -15.611 3.749 1.00 0.37 H new ATOM 1922 N TYR A 131 8.580 -18.554 -0.505 1.00 0.33 N ATOM 1923 CA TYR A 131 7.917 -18.295 -1.766 1.00 0.32 C ATOM 1924 C TYR A 131 6.437 -18.073 -1.479 1.00 0.30 C ATOM 1925 O TYR A 131 5.682 -19.024 -1.263 1.00 0.32 O ATOM 1926 CB TYR A 131 8.121 -19.458 -2.744 1.00 0.36 C ATOM 1927 CG TYR A 131 7.368 -19.322 -4.056 1.00 0.45 C ATOM 1928 CD1 TYR A 131 6.046 -19.731 -4.170 1.00 0.78 C ATOM 1929 CD2 TYR A 131 7.980 -18.778 -5.180 1.00 1.00 C ATOM 1930 CE1 TYR A 131 5.358 -19.604 -5.365 1.00 0.87 C ATOM 1931 CE2 TYR A 131 7.303 -18.648 -6.374 1.00 1.14 C ATOM 1932 CZ TYR A 131 5.982 -19.085 -6.462 1.00 0.81 C ATOM 1933 OH TYR A 131 5.314 -18.923 -7.660 1.00 1.00 O ATOM 0 H TYR A 131 9.100 -19.431 -0.464 1.00 0.33 H new ATOM 0 HA TYR A 131 8.343 -17.409 -2.237 1.00 0.32 H new ATOM 0 HB2 TYR A 131 9.185 -19.552 -2.959 1.00 0.36 H new ATOM 0 HB3 TYR A 131 7.812 -20.383 -2.257 1.00 0.36 H new ATOM 0 HD1 TYR A 131 5.546 -20.155 -3.312 1.00 0.78 H new ATOM 0 HD2 TYR A 131 9.007 -18.450 -5.116 1.00 1.00 H new ATOM 0 HE1 TYR A 131 4.326 -19.916 -5.429 1.00 0.87 H new ATOM 0 HE2 TYR A 131 7.791 -18.212 -7.233 1.00 1.14 H new ATOM 0 HH TYR A 131 4.364 -18.760 -7.485 1.00 1.00 H new ATOM 1943 N ILE A 132 6.054 -16.811 -1.410 1.00 0.27 N ATOM 1944 CA ILE A 132 4.695 -16.436 -1.094 1.00 0.26 C ATOM 1945 C ILE A 132 3.747 -16.912 -2.194 1.00 0.25 C ATOM 1946 O ILE A 132 4.041 -16.753 -3.376 1.00 0.25 O ATOM 1947 CB ILE A 132 4.567 -14.903 -0.943 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.548 -14.341 0.087 1.00 0.39 C ATOM 1949 CG2 ILE A 132 3.153 -14.530 -0.559 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.508 -15.022 1.425 1.00 0.23 C ATOM 0 H ILE A 132 6.678 -16.021 -1.572 1.00 0.27 H new ATOM 0 HA ILE A 132 4.428 -16.909 -0.149 1.00 0.26 H new ATOM 0 HB ILE A 132 4.813 -14.463 -1.910 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.559 -14.416 -0.314 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.339 -13.280 0.227 1.00 0.39 H new ATOM 0 HG21 ILE A 132 3.077 -13.448 -0.456 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.464 -14.870 -1.332 1.00 0.26 H new ATOM 0 HG23 ILE A 132 2.896 -15.003 0.389 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.236 -14.558 2.091 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.510 -14.925 1.853 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.749 -16.078 1.303 1.00 0.23 H new ATOM 1962 N PRO A 133 2.623 -17.542 -1.814 1.00 0.27 N ATOM 1963 CA PRO A 133 1.598 -17.979 -2.771 1.00 0.28 C ATOM 1964 C PRO A 133 1.142 -16.843 -3.685 1.00 0.26 C ATOM 1965 O PRO A 133 1.091 -15.678 -3.273 1.00 0.26 O ATOM 1966 CB PRO A 133 0.446 -18.441 -1.874 1.00 0.34 C ATOM 1967 CG PRO A 133 1.094 -18.812 -0.583 1.00 0.61 C ATOM 1968 CD PRO A 133 2.271 -17.895 -0.427 1.00 0.31 C ATOM 0 HA PRO A 133 1.968 -18.755 -3.441 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.289 -17.648 -1.734 1.00 0.34 H new ATOM 0 HB3 PRO A 133 -0.080 -19.290 -2.311 1.00 0.34 H new ATOM 0 HG2 PRO A 133 0.399 -18.698 0.249 1.00 0.61 H new ATOM 0 HG3 PRO A 133 1.411 -19.855 -0.592 1.00 0.61 H new ATOM 0 HD2 PRO A 133 2.016 -17.012 0.159 1.00 0.31 H new ATOM 0 HD3 PRO A 133 3.098 -18.388 0.083 1.00 0.31 H new ATOM 1976 N PRO A 134 0.810 -17.163 -4.944 1.00 0.27 N ATOM 1977 CA PRO A 134 0.406 -16.160 -5.922 1.00 0.25 C ATOM 1978 C PRO A 134 -0.885 -15.455 -5.530 1.00 0.27 C ATOM 1979 O PRO A 134 -1.834 -16.083 -5.068 1.00 0.32 O ATOM 1980 CB PRO A 134 0.220 -16.956 -7.215 1.00 0.29 C ATOM 1981 CG PRO A 134 -0.017 -18.358 -6.765 1.00 0.52 C ATOM 1982 CD PRO A 134 0.796 -18.522 -5.509 1.00 0.33 C ATOM 0 HA PRO A 134 1.146 -15.364 -6.011 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -0.622 -16.578 -7.795 1.00 0.29 H new ATOM 0 HB3 PRO A 134 1.102 -16.888 -7.852 1.00 0.29 H new ATOM 0 HG2 PRO A 134 -1.075 -18.535 -6.573 1.00 0.52 H new ATOM 0 HG3 PRO A 134 0.292 -19.072 -7.528 1.00 0.52 H new ATOM 0 HD2 PRO A 134 0.342 -19.239 -4.825 1.00 0.33 H new ATOM 0 HD3 PRO A 134 1.803 -18.880 -5.724 1.00 0.33 H new ATOM 1990 N HIS A 135 -0.872 -14.138 -5.686 1.00 0.26 N ATOM 1991 CA HIS A 135 -2.019 -13.266 -5.401 1.00 0.31 C ATOM 1992 C HIS A 135 -2.310 -13.141 -3.902 1.00 0.32 C ATOM 1993 O HIS A 135 -3.211 -12.405 -3.509 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.279 -13.677 -6.206 1.00 0.41 C ATOM 1995 CG HIS A 135 -4.393 -14.351 -5.432 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -5.328 -13.654 -4.694 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -4.730 -15.657 -5.306 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -6.182 -14.498 -4.155 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -5.846 -15.721 -4.510 1.00 2.25 N ATOM 0 H HIS A 135 -0.053 -13.630 -6.020 1.00 0.26 H new ATOM 0 HA HIS A 135 -1.735 -12.270 -5.741 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.686 -12.784 -6.679 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -2.967 -14.348 -7.006 1.00 0.41 H new ATOM 0 HD2 HIS A 135 -4.214 -16.495 -5.751 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -7.019 -14.232 -3.526 1.00 2.38 H new ATOM 0 HE2 HIS A 135 -6.334 -16.574 -4.238 1.00 2.25 H new ATOM 2008 N ALA A 136 -1.528 -13.816 -3.067 1.00 0.24 N ATOM 2009 CA ALA A 136 -1.707 -13.704 -1.628 1.00 0.24 C ATOM 2010 C ALA A 136 -1.488 -12.260 -1.210 1.00 0.21 C ATOM 2011 O ALA A 136 -0.407 -11.707 -1.405 1.00 0.22 O ATOM 2012 CB ALA A 136 -0.754 -14.631 -0.892 1.00 0.26 C ATOM 0 H ALA A 136 -0.774 -14.438 -3.358 1.00 0.24 H new ATOM 0 HA ALA A 136 -2.722 -14.003 -1.367 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -0.906 -14.530 0.183 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -0.946 -15.662 -1.191 1.00 0.26 H new ATOM 0 HB3 ALA A 136 0.274 -14.367 -1.139 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.509 -11.645 -0.643 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.461 -10.223 -0.368 1.00 0.19 C ATOM 2020 C ALA A 137 -1.548 -9.962 0.813 1.00 0.16 C ATOM 2021 O ALA A 137 -1.827 -10.367 1.942 1.00 0.20 O ATOM 2022 CB ALA A 137 -3.859 -9.668 -0.125 1.00 0.22 C ATOM 0 H ALA A 137 -3.376 -12.105 -0.366 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.056 -9.706 -1.238 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.796 -8.599 0.079 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.475 -9.833 -1.009 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.308 -10.175 0.729 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.443 -9.305 0.535 1.00 0.13 N ATOM 2029 CA LEU A 138 0.586 -9.092 1.523 1.00 0.12 C ATOM 2030 C LEU A 138 0.335 -7.815 2.302 1.00 0.13 C ATOM 2031 O LEU A 138 0.091 -6.758 1.726 1.00 0.15 O ATOM 2032 CB LEU A 138 1.955 -9.048 0.845 1.00 0.13 C ATOM 2033 CG LEU A 138 2.918 -10.141 1.303 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.248 -11.497 1.240 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.177 -10.131 0.465 1.00 0.19 C ATOM 0 H LEU A 138 -0.235 -8.905 -0.380 1.00 0.13 H new ATOM 0 HA LEU A 138 0.567 -9.922 2.229 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.816 -9.130 -0.233 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.410 -8.076 1.035 1.00 0.13 H new ATOM 0 HG LEU A 138 3.196 -9.941 2.338 1.00 0.15 H new ATOM 0 HD11 LEU A 138 2.948 -12.264 1.570 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.373 -11.501 1.890 1.00 0.22 H new ATOM 0 HD13 LEU A 138 1.940 -11.703 0.215 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.849 -10.918 0.808 1.00 0.19 H new ATOM 0 HD22 LEU A 138 3.920 -10.304 -0.580 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.671 -9.164 0.562 1.00 0.19 H new ATOM 2047 N CYS A 139 0.407 -7.928 3.612 1.00 0.13 N ATOM 2048 CA CYS A 139 0.223 -6.801 4.498 1.00 0.14 C ATOM 2049 C CYS A 139 1.531 -6.534 5.218 1.00 0.13 C ATOM 2050 O CYS A 139 1.888 -7.228 6.170 1.00 0.14 O ATOM 2051 CB CYS A 139 -0.877 -7.106 5.511 1.00 0.18 C ATOM 2052 SG CYS A 139 -1.721 -5.642 6.151 1.00 1.20 S ATOM 0 H CYS A 139 0.596 -8.808 4.092 1.00 0.13 H new ATOM 0 HA CYS A 139 -0.071 -5.923 3.924 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.613 -7.761 5.045 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -0.444 -7.656 6.346 1.00 0.18 H new ATOM 0 HG CYS A 139 -2.415 -5.091 5.200 1.00 1.20 H new ATOM 2058 N LEU A 140 2.257 -5.551 4.745 1.00 0.13 N ATOM 2059 CA LEU A 140 3.579 -5.277 5.269 1.00 0.14 C ATOM 2060 C LEU A 140 3.686 -3.871 5.818 1.00 0.13 C ATOM 2061 O LEU A 140 3.230 -2.912 5.204 1.00 0.12 O ATOM 2062 CB LEU A 140 4.629 -5.485 4.189 1.00 0.17 C ATOM 2063 CG LEU A 140 4.365 -4.752 2.883 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.357 -3.609 2.719 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.439 -5.712 1.709 1.00 0.32 C ATOM 0 H LEU A 140 1.957 -4.925 3.997 1.00 0.13 H new ATOM 0 HA LEU A 140 3.754 -5.974 6.089 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.596 -5.166 4.578 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.706 -6.552 3.980 1.00 0.17 H new ATOM 0 HG LEU A 140 3.359 -4.334 2.908 1.00 0.17 H new ATOM 0 HD11 LEU A 140 5.161 -3.089 1.781 1.00 0.26 H new ATOM 0 HD12 LEU A 140 5.249 -2.912 3.550 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.372 -4.007 2.708 1.00 0.26 H new ATOM 0 HD21 LEU A 140 4.247 -5.170 0.783 1.00 0.32 H new ATOM 0 HD22 LEU A 140 5.431 -6.161 1.668 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.691 -6.495 1.832 1.00 0.32 H new ATOM 2077 N GLU A 141 4.294 -3.761 6.979 1.00 0.14 N ATOM 2078 CA GLU A 141 4.523 -2.477 7.607 1.00 0.13 C ATOM 2079 C GLU A 141 5.943 -2.016 7.316 1.00 0.12 C ATOM 2080 O GLU A 141 6.902 -2.760 7.545 1.00 0.15 O ATOM 2081 CB GLU A 141 4.252 -2.596 9.108 1.00 0.18 C ATOM 2082 CG GLU A 141 5.101 -1.696 9.991 1.00 0.26 C ATOM 2083 CD GLU A 141 4.714 -1.825 11.449 1.00 0.30 C ATOM 2084 OE1 GLU A 141 4.732 -2.949 11.986 1.00 1.00 O ATOM 2085 OE2 GLU A 141 4.399 -0.785 12.072 1.00 1.05 O ATOM 0 H GLU A 141 4.643 -4.557 7.514 1.00 0.14 H new ATOM 0 HA GLU A 141 3.844 -1.726 7.203 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.201 -2.371 9.290 1.00 0.18 H new ATOM 0 HB3 GLU A 141 4.413 -3.631 9.409 1.00 0.18 H new ATOM 0 HG2 GLU A 141 6.153 -1.952 9.869 1.00 0.26 H new ATOM 0 HG3 GLU A 141 4.986 -0.660 9.673 1.00 0.26 H new ATOM 2092 N VAL A 142 6.066 -0.811 6.776 1.00 0.12 N ATOM 2093 CA VAL A 142 7.360 -0.272 6.396 1.00 0.12 C ATOM 2094 C VAL A 142 7.635 1.073 7.055 1.00 0.12 C ATOM 2095 O VAL A 142 6.904 2.044 6.857 1.00 0.15 O ATOM 2096 CB VAL A 142 7.514 -0.133 4.865 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.794 -1.491 4.241 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.277 0.501 4.241 1.00 0.19 C ATOM 0 H VAL A 142 5.280 -0.188 6.592 1.00 0.12 H new ATOM 0 HA VAL A 142 8.094 -0.995 6.752 1.00 0.12 H new ATOM 0 HB VAL A 142 8.359 0.526 4.666 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.901 -1.381 3.162 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.715 -1.899 4.657 1.00 0.19 H new ATOM 0 HG13 VAL A 142 6.967 -2.168 4.456 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.416 0.585 3.163 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.406 -0.121 4.447 1.00 0.19 H new ATOM 0 HG23 VAL A 142 6.123 1.493 4.666 1.00 0.19 H new ATOM 2108 N THR A 143 8.670 1.100 7.876 1.00 0.13 N ATOM 2109 CA THR A 143 9.194 2.342 8.426 1.00 0.13 C ATOM 2110 C THR A 143 10.253 2.926 7.502 1.00 0.12 C ATOM 2111 O THR A 143 11.312 2.326 7.307 1.00 0.15 O ATOM 2112 CB THR A 143 9.850 2.122 9.805 1.00 0.17 C ATOM 2113 OG1 THR A 143 8.952 1.405 10.664 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.214 3.449 10.456 1.00 0.22 C ATOM 0 H THR A 143 9.171 0.265 8.181 1.00 0.13 H new ATOM 0 HA THR A 143 8.348 3.022 8.527 1.00 0.13 H new ATOM 0 HB THR A 143 10.762 1.544 9.656 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.375 1.267 11.537 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.674 3.264 11.426 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.915 3.987 9.818 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.313 4.048 10.590 1.00 0.22 H new ATOM 2122 N LEU A 144 9.971 4.084 6.932 1.00 0.13 N ATOM 2123 CA LEU A 144 10.963 4.798 6.149 1.00 0.12 C ATOM 2124 C LEU A 144 11.827 5.627 7.075 1.00 0.12 C ATOM 2125 O LEU A 144 11.436 6.707 7.513 1.00 0.14 O ATOM 2126 CB LEU A 144 10.294 5.686 5.105 1.00 0.14 C ATOM 2127 CG LEU A 144 11.250 6.476 4.215 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.135 5.537 3.406 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.466 7.392 3.297 1.00 0.13 C ATOM 0 H LEU A 144 9.065 4.549 6.996 1.00 0.13 H new ATOM 0 HA LEU A 144 11.587 4.076 5.621 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.664 5.062 4.471 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.635 6.388 5.617 1.00 0.14 H new ATOM 0 HG LEU A 144 11.895 7.083 4.850 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.808 6.122 2.779 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.719 4.914 4.083 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.512 4.902 2.776 1.00 0.15 H new ATOM 0 HD21 LEU A 144 11.156 7.952 2.666 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.802 6.797 2.670 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.875 8.087 3.894 1.00 0.13 H new ATOM 2141 N LYS A 145 13.000 5.110 7.370 1.00 0.14 N ATOM 2142 CA LYS A 145 13.842 5.688 8.394 1.00 0.17 C ATOM 2143 C LYS A 145 14.853 6.645 7.787 1.00 0.16 C ATOM 2144 O LYS A 145 15.336 7.559 8.458 1.00 0.21 O ATOM 2145 CB LYS A 145 14.559 4.566 9.142 1.00 0.26 C ATOM 2146 CG LYS A 145 13.637 3.407 9.476 1.00 0.40 C ATOM 2147 CD LYS A 145 14.398 2.201 9.988 1.00 0.60 C ATOM 2148 CE LYS A 145 15.286 1.618 8.906 1.00 0.38 C ATOM 2149 NZ LYS A 145 16.284 0.670 9.463 1.00 1.08 N ATOM 0 H LYS A 145 13.393 4.287 6.913 1.00 0.14 H new ATOM 0 HA LYS A 145 13.221 6.254 9.088 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.389 4.203 8.536 1.00 0.26 H new ATOM 0 HB3 LYS A 145 14.986 4.963 10.063 1.00 0.26 H new ATOM 0 HG2 LYS A 145 12.914 3.725 10.228 1.00 0.40 H new ATOM 0 HG3 LYS A 145 13.071 3.127 8.588 1.00 0.40 H new ATOM 0 HD2 LYS A 145 15.005 2.488 10.846 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.695 1.443 10.334 1.00 0.60 H new ATOM 0 HE2 LYS A 145 14.670 1.105 8.168 1.00 0.38 H new ATOM 0 HE3 LYS A 145 15.802 2.425 8.385 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 17.209 0.838 9.018 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 16.363 0.813 10.490 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 15.980 -0.306 9.272 1.00 1.08 H new ATOM 2163 N THR A 146 15.190 6.430 6.519 1.00 0.16 N ATOM 2164 CA THR A 146 16.205 7.243 5.864 1.00 0.19 C ATOM 2165 C THR A 146 16.060 7.229 4.344 1.00 0.17 C ATOM 2166 O THR A 146 15.511 6.290 3.772 1.00 0.16 O ATOM 2167 CB THR A 146 17.618 6.729 6.215 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.730 6.524 7.630 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.697 7.705 5.771 1.00 0.37 C ATOM 0 H THR A 146 14.778 5.706 5.930 1.00 0.16 H new ATOM 0 HA THR A 146 16.066 8.262 6.224 1.00 0.19 H new ATOM 0 HB THR A 146 17.763 5.787 5.686 1.00 0.25 H new ATOM 0 HG1 THR A 146 18.629 6.197 7.843 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.677 7.309 6.035 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.641 7.843 4.691 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.547 8.664 6.268 1.00 0.37 H new ATOM 2177 N ALA A 147 16.561 8.280 3.702 1.00 0.20 N ATOM 2178 CA ALA A 147 16.670 8.331 2.257 1.00 0.19 C ATOM 2179 C ALA A 147 17.983 8.994 1.876 1.00 0.22 C ATOM 2180 O ALA A 147 18.283 10.085 2.358 1.00 0.25 O ATOM 2181 CB ALA A 147 15.497 9.099 1.668 1.00 0.21 C ATOM 0 H ALA A 147 16.902 9.118 4.174 1.00 0.20 H new ATOM 0 HA ALA A 147 16.650 7.318 1.856 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.591 9.130 0.582 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.565 8.603 1.938 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.494 10.116 2.061 1.00 0.21 H new ATOM 2187 N VAL A 148 18.769 8.348 1.025 1.00 0.24 N ATOM 2188 CA VAL A 148 20.057 8.910 0.628 1.00 0.31 C ATOM 2189 C VAL A 148 20.262 8.759 -0.870 1.00 0.34 C ATOM 2190 O VAL A 148 19.879 7.749 -1.459 1.00 0.36 O ATOM 2191 CB VAL A 148 21.246 8.265 1.389 1.00 0.42 C ATOM 2192 CG1 VAL A 148 21.050 8.374 2.892 1.00 0.92 C ATOM 2193 CG2 VAL A 148 21.443 6.813 0.996 1.00 0.75 C ATOM 0 H VAL A 148 18.544 7.448 0.601 1.00 0.24 H new ATOM 0 HA VAL A 148 20.035 9.968 0.891 1.00 0.31 H new ATOM 0 HB VAL A 148 22.143 8.816 1.108 1.00 0.42 H new ATOM 0 HG11 VAL A 148 21.896 7.915 3.403 1.00 0.92 H new ATOM 0 HG12 VAL A 148 20.981 9.424 3.175 1.00 0.92 H new ATOM 0 HG13 VAL A 148 20.132 7.861 3.177 1.00 0.92 H new ATOM 0 HG21 VAL A 148 22.284 6.397 1.550 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.541 6.248 1.228 1.00 0.75 H new ATOM 0 HG23 VAL A 148 21.646 6.750 -0.073 1.00 0.75 H new