USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=31 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 81 GLN : amide:sc= -0.0829 X(o=-0.34,f=-0.3!) USER MOD Set 1.2: A 122 TYR OH : rot -144:sc= 0.125 USER MOD Set 1.3: A 127 SER OG : rot 80:sc= -0.384 USER MOD Set 2.1: A 113 MET CE :methyl -118:sc= 0 (180deg=-0.0108) USER MOD Set 2.2: A 115 THR OG1 : rot 122:sc= 1.94 USER MOD Set 2.3: A 139 CYS SG : rot 58:sc= 0.753 USER MOD Set 3.1: A 93 CYS SG : rot -59:sc= 0.658 USER MOD Set 3.2: A 97 GLN :FLIP amide:sc= 0.62 F(o=-0.49!,f=1.3) USER MOD Set 4.1: A 76 ASN : amide:sc= -0.852 K(o=0.44,f=-4.7) USER MOD Set 4.2: A 78 THR OG1 : rot 106:sc= 1.29 USER MOD Set 5.1: A 69 HIS : no HE2:sc= -8.05! C(o=-10!,f=-12!) USER MOD Set 5.2: A 71 GLN :FLIP amide:sc= -2.29! C(o=-16!,f=-10!) USER MOD Set 6.1: A 67 THR OG1 : rot 34:sc= -1.97! USER MOD Set 6.2: A 146 THR OG1 : rot 180:sc= -0.125 USER MOD Set 7.1: A 42 ASN : amide:sc= -1.17 K(o=-0.37,f=-4.1!) USER MOD Set 7.2: A 120 TYR OH : rot 32:sc= 0.797 USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -1.83! (180deg=-1.95!) USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= 0.0607 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 50:sc= 0.0525 USER MOD Single : A 57 SER OG : rot 20:sc= 0.732 USER MOD Single : A 58 SER OG : rot -4:sc= 0.098 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.921 F(o=-7.1!,f=-0.92) USER MOD Single : A 72 THR OG1 : rot -170:sc= -0.287 USER MOD Single : A 73 SER OG : rot 180:sc= -0.161 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 102 SER OG : rot 180:sc= -1.2 USER MOD Single : A 106 MET CE :methyl -118:sc= -3.76! (180deg=-5.25!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 176:sc= -0.244 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 CYS SG : rot 124:sc= -1.79! USER MOD Single : A 125 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.01) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 143 THR OG1 : rot 180:sc=-0.00256 USER MOD Single : A 145 LYS NZ :NH3+ -157:sc= 2.47 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 489 N TRP A 36 -7.798 1.596 1.824 1.00 0.53 N ATOM 490 CA TRP A 36 -6.891 2.722 1.937 1.00 0.45 C ATOM 491 C TRP A 36 -6.649 3.313 0.555 1.00 0.46 C ATOM 492 O TRP A 36 -7.375 3.017 -0.397 1.00 0.52 O ATOM 493 CB TRP A 36 -5.543 2.305 2.539 1.00 0.38 C ATOM 494 CG TRP A 36 -5.615 1.227 3.581 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.566 1.064 4.553 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.670 0.167 3.764 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.272 -0.045 5.315 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.114 -0.609 4.850 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.496 -0.210 3.107 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.413 -1.730 5.295 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -2.816 -1.312 3.551 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.273 -2.063 4.629 1.00 0.19 C ATOM 0 HA TRP A 36 -7.350 3.457 2.598 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -4.892 1.966 1.733 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -5.073 3.184 2.980 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.420 1.709 4.700 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.827 -0.390 6.098 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.131 0.358 2.264 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.761 -2.312 6.136 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -1.904 -1.605 3.053 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.711 -2.930 4.945 1.00 0.19 H new ATOM 513 N LEU A 37 -5.621 4.131 0.444 1.00 0.43 N ATOM 514 CA LEU A 37 -5.257 4.707 -0.833 1.00 0.42 C ATOM 515 C LEU A 37 -4.618 3.645 -1.709 1.00 0.37 C ATOM 516 O LEU A 37 -3.512 3.183 -1.418 1.00 0.35 O ATOM 517 CB LEU A 37 -4.273 5.861 -0.637 1.00 0.45 C ATOM 518 CG LEU A 37 -3.817 6.554 -1.923 1.00 0.46 C ATOM 519 CD1 LEU A 37 -4.989 7.246 -2.612 1.00 0.49 C ATOM 520 CD2 LEU A 37 -2.705 7.547 -1.628 1.00 0.50 C ATOM 0 H LEU A 37 -5.024 4.411 1.222 1.00 0.43 H new ATOM 0 HA LEU A 37 -6.158 5.087 -1.313 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -4.734 6.604 0.013 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -3.394 5.483 -0.115 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.428 5.794 -2.600 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -4.640 7.731 -3.523 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.751 6.508 -2.863 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.414 7.994 -1.943 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.393 8.030 -2.554 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -3.067 8.301 -0.929 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -1.856 7.023 -1.189 1.00 0.50 H new ATOM 532 N ASP A 38 -5.311 3.237 -2.765 1.00 0.38 N ATOM 533 CA ASP A 38 -4.722 2.300 -3.704 1.00 0.41 C ATOM 534 C ASP A 38 -3.715 3.030 -4.561 1.00 0.39 C ATOM 535 O ASP A 38 -4.034 4.034 -5.198 1.00 0.44 O ATOM 536 CB ASP A 38 -5.756 1.593 -4.587 1.00 0.56 C ATOM 537 CG ASP A 38 -5.178 0.339 -5.218 1.00 1.78 C ATOM 538 OD1 ASP A 38 -4.465 0.447 -6.232 1.00 2.14 O ATOM 539 OD2 ASP A 38 -5.430 -0.765 -4.700 1.00 2.51 O ATOM 0 H ASP A 38 -6.261 3.534 -2.987 1.00 0.38 H new ATOM 0 HA ASP A 38 -4.237 1.517 -3.121 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.630 1.332 -3.990 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -6.095 2.273 -5.369 1.00 0.56 H new ATOM 544 N ILE A 39 -2.505 2.513 -4.555 1.00 0.38 N ATOM 545 CA ILE A 39 -1.380 3.120 -5.238 1.00 0.38 C ATOM 546 C ILE A 39 -1.668 3.255 -6.727 1.00 0.39 C ATOM 547 O ILE A 39 -1.223 4.198 -7.382 1.00 0.46 O ATOM 548 CB ILE A 39 -0.117 2.268 -5.015 1.00 0.39 C ATOM 549 CG1 ILE A 39 0.142 2.130 -3.511 1.00 0.40 C ATOM 550 CG2 ILE A 39 1.089 2.851 -5.738 1.00 0.41 C ATOM 551 CD1 ILE A 39 1.494 1.545 -3.167 1.00 0.43 C ATOM 0 H ILE A 39 -2.271 1.647 -4.069 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.216 4.117 -4.830 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.282 1.277 -5.438 1.00 0.39 H new ATOM 0 HG12 ILE A 39 0.055 3.112 -3.047 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -0.635 1.502 -3.076 1.00 0.40 H new ATOM 0 HG21 ILE A 39 1.961 2.222 -5.557 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.887 2.892 -6.808 1.00 0.41 H new ATOM 0 HG23 ILE A 39 1.284 3.857 -5.367 1.00 0.41 H new ATOM 0 HD11 ILE A 39 1.598 1.481 -2.084 1.00 0.43 H new ATOM 0 HD12 ILE A 39 1.580 0.548 -3.599 1.00 0.43 H new ATOM 0 HD13 ILE A 39 2.280 2.184 -3.570 1.00 0.43 H new ATOM 563 N LEU A 40 -2.447 2.322 -7.245 1.00 0.39 N ATOM 564 CA LEU A 40 -2.800 2.334 -8.655 1.00 0.49 C ATOM 565 C LEU A 40 -4.298 2.530 -8.831 1.00 0.49 C ATOM 566 O LEU A 40 -4.791 2.691 -9.949 1.00 0.62 O ATOM 567 CB LEU A 40 -2.342 1.039 -9.332 1.00 0.56 C ATOM 568 CG LEU A 40 -0.849 0.732 -9.196 1.00 0.59 C ATOM 569 CD1 LEU A 40 -0.512 -0.553 -9.929 1.00 0.62 C ATOM 570 CD2 LEU A 40 -0.008 1.887 -9.729 1.00 0.72 C ATOM 0 H LEU A 40 -2.846 1.549 -6.713 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.289 3.171 -9.131 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -2.908 0.207 -8.913 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -2.592 1.093 -10.392 1.00 0.56 H new ATOM 0 HG LEU A 40 -0.617 0.605 -8.139 1.00 0.59 H new ATOM 0 HD11 LEU A 40 0.553 -0.762 -9.826 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -1.086 -1.376 -9.504 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -0.760 -0.445 -10.985 1.00 0.62 H new ATOM 0 HD21 LEU A 40 1.050 1.647 -9.622 1.00 0.72 H new ATOM 0 HD22 LEU A 40 -0.239 2.049 -10.782 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.233 2.792 -9.165 1.00 0.72 H new ATOM 582 N GLY A 41 -5.006 2.552 -7.712 1.00 0.43 N ATOM 583 CA GLY A 41 -6.451 2.610 -7.731 1.00 0.51 C ATOM 584 C GLY A 41 -7.038 1.339 -8.300 1.00 0.45 C ATOM 585 O GLY A 41 -8.167 1.321 -8.792 1.00 0.52 O ATOM 0 H GLY A 41 -4.597 2.530 -6.778 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -6.825 2.766 -6.719 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -6.776 3.463 -8.326 1.00 0.51 H new ATOM 589 N ASN A 42 -6.257 0.267 -8.223 1.00 0.39 N ATOM 590 CA ASN A 42 -6.642 -0.991 -8.843 1.00 0.42 C ATOM 591 C ASN A 42 -7.311 -1.951 -7.854 1.00 0.43 C ATOM 592 O ASN A 42 -7.938 -2.929 -8.269 1.00 0.56 O ATOM 593 CB ASN A 42 -5.448 -1.642 -9.555 1.00 0.49 C ATOM 594 CG ASN A 42 -4.426 -2.346 -8.666 1.00 0.55 C ATOM 595 OD1 ASN A 42 -3.802 -3.311 -9.097 1.00 0.95 O ATOM 596 ND2 ASN A 42 -4.211 -1.875 -7.447 1.00 0.44 N ATOM 0 H ASN A 42 -5.359 0.246 -7.740 1.00 0.39 H new ATOM 0 HA ASN A 42 -7.394 -0.761 -9.598 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -5.833 -2.367 -10.273 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -4.930 -0.872 -10.126 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -3.515 -2.316 -6.845 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -4.741 -1.072 -7.110 1.00 0.44 H new ATOM 603 N GLY A 43 -7.176 -1.689 -6.556 1.00 0.40 N ATOM 604 CA GLY A 43 -8.013 -2.362 -5.574 1.00 0.50 C ATOM 605 C GLY A 43 -7.250 -3.284 -4.639 1.00 0.45 C ATOM 606 O GLY A 43 -7.772 -3.698 -3.605 1.00 0.72 O ATOM 0 H GLY A 43 -6.505 -1.026 -6.167 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -8.535 -1.611 -4.981 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -8.775 -2.941 -6.097 1.00 0.50 H new ATOM 610 N LEU A 44 -6.010 -3.596 -4.973 1.00 0.29 N ATOM 611 CA LEU A 44 -5.264 -4.583 -4.203 1.00 0.36 C ATOM 612 C LEU A 44 -3.889 -4.090 -3.775 1.00 0.25 C ATOM 613 O LEU A 44 -3.166 -4.803 -3.090 1.00 0.27 O ATOM 614 CB LEU A 44 -5.159 -5.899 -4.984 1.00 0.60 C ATOM 615 CG LEU A 44 -5.053 -5.775 -6.499 1.00 0.51 C ATOM 616 CD1 LEU A 44 -3.667 -5.340 -6.897 1.00 1.46 C ATOM 617 CD2 LEU A 44 -5.420 -7.089 -7.172 1.00 1.56 C ATOM 0 H LEU A 44 -5.502 -3.189 -5.759 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.823 -4.757 -3.284 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -4.286 -6.443 -4.623 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -6.033 -6.507 -4.750 1.00 0.60 H new ATOM 0 HG LEU A 44 -5.759 -5.014 -6.832 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -3.609 -5.257 -7.982 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -3.446 -4.372 -6.446 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -2.941 -6.076 -6.551 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -5.338 -6.979 -8.253 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -4.742 -7.873 -6.834 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -6.444 -7.358 -6.911 1.00 1.56 H new ATOM 629 N LEU A 45 -3.524 -2.886 -4.175 1.00 0.23 N ATOM 630 CA LEU A 45 -2.247 -2.314 -3.773 1.00 0.22 C ATOM 631 C LEU A 45 -2.473 -0.988 -3.049 1.00 0.22 C ATOM 632 O LEU A 45 -2.679 0.035 -3.682 1.00 0.32 O ATOM 633 CB LEU A 45 -1.348 -2.151 -5.000 1.00 0.30 C ATOM 634 CG LEU A 45 -0.094 -1.301 -4.801 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.748 -1.843 -3.663 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.717 -1.264 -6.081 1.00 0.31 C ATOM 0 H LEU A 45 -4.089 -2.285 -4.775 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.743 -2.984 -3.077 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -1.042 -3.142 -5.336 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -1.939 -1.710 -5.803 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.402 -0.287 -4.546 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.635 -1.222 -3.539 1.00 0.28 H new ATOM 0 HD12 LEU A 45 0.166 -1.831 -2.742 1.00 0.28 H new ATOM 0 HD13 LEU A 45 1.049 -2.866 -3.888 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.609 -0.656 -5.929 1.00 0.31 H new ATOM 0 HD22 LEU A 45 1.011 -2.277 -6.355 1.00 0.31 H new ATOM 0 HD23 LEU A 45 0.115 -0.832 -6.881 1.00 0.31 H new ATOM 648 N ARG A 46 -2.421 -1.007 -1.726 1.00 0.20 N ATOM 649 CA ARG A 46 -2.818 0.154 -0.932 1.00 0.22 C ATOM 650 C ARG A 46 -1.844 0.439 0.201 1.00 0.19 C ATOM 651 O ARG A 46 -1.389 -0.479 0.871 1.00 0.19 O ATOM 652 CB ARG A 46 -4.204 -0.100 -0.354 1.00 0.25 C ATOM 653 CG ARG A 46 -5.308 0.048 -1.373 1.00 0.36 C ATOM 654 CD ARG A 46 -6.546 -0.738 -0.986 1.00 0.37 C ATOM 655 NE ARG A 46 -6.345 -2.175 -1.150 1.00 0.54 N ATOM 656 CZ ARG A 46 -6.573 -3.079 -0.199 1.00 0.75 C ATOM 657 NH1 ARG A 46 -7.003 -2.705 1.002 1.00 1.14 N ATOM 658 NH2 ARG A 46 -6.364 -4.364 -0.449 1.00 0.99 N ATOM 0 H ARG A 46 -2.110 -1.809 -1.178 1.00 0.20 H new ATOM 0 HA ARG A 46 -2.820 1.026 -1.587 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.237 -1.106 0.065 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.381 0.594 0.468 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.566 1.102 -1.478 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -4.952 -0.292 -2.346 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -6.805 -0.522 0.051 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.388 -0.416 -1.598 1.00 0.37 H new ATOM 0 HE ARG A 46 -6.008 -2.509 -2.053 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -7.161 -1.717 1.202 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -7.175 -3.406 1.723 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.030 -4.657 -1.367 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -6.537 -5.060 0.277 1.00 0.99 H new ATOM 672 N LYS A 47 -1.558 1.715 0.425 1.00 0.20 N ATOM 673 CA LYS A 47 -0.647 2.136 1.484 1.00 0.17 C ATOM 674 C LYS A 47 -1.422 2.858 2.583 1.00 0.18 C ATOM 675 O LYS A 47 -2.107 3.843 2.311 1.00 0.22 O ATOM 676 CB LYS A 47 0.409 3.076 0.903 1.00 0.23 C ATOM 677 CG LYS A 47 1.631 3.239 1.783 1.00 0.25 C ATOM 678 CD LYS A 47 2.323 4.565 1.557 1.00 0.32 C ATOM 679 CE LYS A 47 1.581 5.693 2.267 1.00 0.20 C ATOM 680 NZ LYS A 47 2.477 6.815 2.659 1.00 0.35 N ATOM 0 H LYS A 47 -1.948 2.485 -0.119 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.162 1.257 1.908 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.721 2.699 -0.071 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.041 4.055 0.737 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.337 3.158 2.829 1.00 0.25 H new ATOM 0 HG3 LYS A 47 2.331 2.427 1.585 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.348 4.512 1.923 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.376 4.775 0.489 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.795 6.073 1.614 1.00 0.20 H new ATOM 0 HE3 LYS A 47 1.092 5.297 3.157 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.903 7.638 2.933 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 3.068 6.522 3.463 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 3.086 7.070 1.856 1.00 0.35 H new ATOM 694 N LYS A 48 -1.315 2.373 3.815 1.00 0.16 N ATOM 695 CA LYS A 48 -1.981 3.007 4.947 1.00 0.18 C ATOM 696 C LYS A 48 -0.966 3.701 5.846 1.00 0.17 C ATOM 697 O LYS A 48 -0.004 3.080 6.301 1.00 0.22 O ATOM 698 CB LYS A 48 -2.757 1.980 5.771 1.00 0.25 C ATOM 699 CG LYS A 48 -3.515 2.592 6.940 1.00 0.32 C ATOM 700 CD LYS A 48 -4.313 1.549 7.706 1.00 0.69 C ATOM 701 CE LYS A 48 -3.411 0.478 8.296 1.00 0.52 C ATOM 702 NZ LYS A 48 -4.157 -0.446 9.186 1.00 1.07 N ATOM 0 H LYS A 48 -0.773 1.543 4.055 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.678 3.744 4.547 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.462 1.462 5.121 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.063 1.230 6.150 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -2.811 3.078 7.615 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.188 3.366 6.571 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -4.874 2.034 8.505 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -5.041 1.086 7.040 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -2.947 -0.090 7.490 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -2.605 0.951 8.857 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -3.702 -1.381 9.175 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -4.155 -0.071 10.156 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -5.138 -0.534 8.851 1.00 1.07 H new ATOM 716 N THR A 49 -1.187 4.981 6.104 1.00 0.18 N ATOM 717 CA THR A 49 -0.314 5.748 6.976 1.00 0.20 C ATOM 718 C THR A 49 -0.657 5.520 8.444 1.00 0.21 C ATOM 719 O THR A 49 -1.653 6.037 8.954 1.00 0.29 O ATOM 720 CB THR A 49 -0.395 7.252 6.647 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.757 7.630 6.393 1.00 0.33 O ATOM 722 CG2 THR A 49 0.463 7.584 5.438 1.00 0.25 C ATOM 0 H THR A 49 -1.968 5.512 5.719 1.00 0.18 H new ATOM 0 HA THR A 49 0.705 5.402 6.803 1.00 0.20 H new ATOM 0 HB THR A 49 -0.021 7.810 7.505 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.329 7.296 7.115 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.392 8.650 5.223 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.501 7.325 5.646 1.00 0.25 H new ATOM 0 HG23 THR A 49 0.113 7.016 4.576 1.00 0.25 H new ATOM 730 N LEU A 50 0.156 4.712 9.113 1.00 0.18 N ATOM 731 CA LEU A 50 0.039 4.550 10.551 1.00 0.21 C ATOM 732 C LEU A 50 0.482 5.854 11.176 1.00 0.23 C ATOM 733 O LEU A 50 -0.198 6.447 12.008 1.00 0.28 O ATOM 734 CB LEU A 50 0.948 3.419 11.027 1.00 0.21 C ATOM 735 CG LEU A 50 0.974 2.196 10.120 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.129 1.296 10.508 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.348 1.455 10.193 1.00 0.24 C ATOM 0 H LEU A 50 0.899 4.162 8.682 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.985 4.304 10.832 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.963 3.804 11.124 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.628 3.109 12.022 1.00 0.21 H new ATOM 0 HG LEU A 50 1.118 2.516 9.088 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.144 0.422 9.857 1.00 0.21 H new ATOM 0 HD12 LEU A 50 3.067 1.842 10.404 1.00 0.21 H new ATOM 0 HD13 LEU A 50 2.009 0.975 11.543 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.313 0.584 9.539 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.528 1.132 11.218 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -1.154 2.116 9.874 1.00 0.24 H new ATOM 749 N VAL A 51 1.643 6.276 10.714 1.00 0.23 N ATOM 750 CA VAL A 51 2.204 7.581 10.996 1.00 0.27 C ATOM 751 C VAL A 51 2.832 8.065 9.721 1.00 0.24 C ATOM 752 O VAL A 51 3.599 7.331 9.128 1.00 0.23 O ATOM 753 CB VAL A 51 3.303 7.519 12.062 1.00 0.30 C ATOM 754 CG1 VAL A 51 3.873 8.901 12.346 1.00 0.36 C ATOM 755 CG2 VAL A 51 2.779 6.879 13.331 1.00 0.36 C ATOM 0 H VAL A 51 2.238 5.703 10.115 1.00 0.23 H new ATOM 0 HA VAL A 51 1.414 8.235 11.364 1.00 0.27 H new ATOM 0 HB VAL A 51 4.113 6.900 11.675 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.650 8.825 13.106 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.299 9.314 11.432 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.078 9.556 12.704 1.00 0.36 H new ATOM 0 HG21 VAL A 51 3.574 6.844 14.076 1.00 0.36 H new ATOM 0 HG22 VAL A 51 1.946 7.466 13.717 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.440 5.866 13.114 1.00 0.36 H new ATOM 765 N PRO A 52 2.479 9.251 9.246 1.00 0.29 N ATOM 766 CA PRO A 52 3.022 9.802 8.026 1.00 0.32 C ATOM 767 C PRO A 52 4.031 10.924 8.267 1.00 0.34 C ATOM 768 O PRO A 52 3.854 12.051 7.799 1.00 0.54 O ATOM 769 CB PRO A 52 1.751 10.312 7.390 1.00 0.41 C ATOM 770 CG PRO A 52 0.924 10.818 8.543 1.00 0.46 C ATOM 771 CD PRO A 52 1.447 10.135 9.787 1.00 0.37 C ATOM 0 HA PRO A 52 3.595 9.092 7.429 1.00 0.32 H new ATOM 0 HB2 PRO A 52 1.958 11.106 6.672 1.00 0.41 H new ATOM 0 HB3 PRO A 52 1.233 9.520 6.849 1.00 0.41 H new ATOM 0 HG2 PRO A 52 1.007 11.901 8.633 1.00 0.46 H new ATOM 0 HG3 PRO A 52 -0.131 10.591 8.391 1.00 0.46 H new ATOM 0 HD2 PRO A 52 1.857 10.849 10.501 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.666 9.579 10.305 1.00 0.37 H new ATOM 779 N GLY A 53 5.098 10.600 8.984 1.00 0.24 N ATOM 780 CA GLY A 53 6.143 11.565 9.246 1.00 0.28 C ATOM 781 C GLY A 53 5.746 12.592 10.295 1.00 0.29 C ATOM 782 O GLY A 53 4.560 12.758 10.596 1.00 0.55 O ATOM 0 H GLY A 53 5.258 9.678 9.391 1.00 0.24 H new ATOM 0 HA2 GLY A 53 7.040 11.042 9.577 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.398 12.079 8.319 1.00 0.28 H new ATOM 821 N SER A 57 8.377 16.548 7.152 1.00 0.52 N ATOM 822 CA SER A 57 9.217 15.515 6.573 1.00 0.40 C ATOM 823 C SER A 57 9.410 15.780 5.079 1.00 0.34 C ATOM 824 O SER A 57 9.173 16.894 4.600 1.00 0.43 O ATOM 825 CB SER A 57 8.568 14.148 6.791 1.00 0.40 C ATOM 826 OG SER A 57 7.655 14.191 7.874 1.00 0.99 O ATOM 0 HA SER A 57 10.193 15.525 7.058 1.00 0.40 H new ATOM 0 HB2 SER A 57 8.049 13.838 5.884 1.00 0.40 H new ATOM 0 HB3 SER A 57 9.338 13.402 6.988 1.00 0.40 H new ATOM 0 HG SER A 57 7.391 15.120 8.042 1.00 0.99 H new ATOM 832 N SER A 58 9.861 14.775 4.350 1.00 0.28 N ATOM 833 CA SER A 58 9.991 14.864 2.906 1.00 0.30 C ATOM 834 C SER A 58 9.798 13.483 2.307 1.00 0.27 C ATOM 835 O SER A 58 10.226 12.498 2.892 1.00 0.38 O ATOM 836 CB SER A 58 11.373 15.403 2.539 1.00 0.38 C ATOM 837 OG SER A 58 11.582 16.691 3.096 1.00 1.28 O ATOM 0 H SER A 58 10.147 13.877 4.740 1.00 0.28 H new ATOM 0 HA SER A 58 9.236 15.543 2.511 1.00 0.30 H new ATOM 0 HB2 SER A 58 12.141 14.719 2.899 1.00 0.38 H new ATOM 0 HB3 SER A 58 11.472 15.452 1.455 1.00 0.38 H new ATOM 0 HG SER A 58 10.763 16.991 3.543 1.00 1.28 H new ATOM 843 N ARG A 59 9.151 13.397 1.160 1.00 0.32 N ATOM 844 CA ARG A 59 8.977 12.107 0.513 1.00 0.30 C ATOM 845 C ARG A 59 10.146 11.850 -0.423 1.00 0.27 C ATOM 846 O ARG A 59 10.365 12.610 -1.372 1.00 0.34 O ATOM 847 CB ARG A 59 7.655 12.037 -0.251 1.00 0.42 C ATOM 848 CG ARG A 59 6.456 12.444 0.584 1.00 0.64 C ATOM 849 CD ARG A 59 5.163 11.838 0.061 1.00 0.68 C ATOM 850 NE ARG A 59 4.821 12.301 -1.287 1.00 1.41 N ATOM 851 CZ ARG A 59 3.726 11.914 -1.945 1.00 1.81 C ATOM 852 NH1 ARG A 59 2.887 11.044 -1.388 1.00 1.78 N ATOM 853 NH2 ARG A 59 3.479 12.383 -3.163 1.00 2.81 N ATOM 0 H ARG A 59 8.743 14.189 0.663 1.00 0.32 H new ATOM 0 HA ARG A 59 8.949 11.335 1.282 1.00 0.30 H new ATOM 0 HB2 ARG A 59 7.715 12.683 -1.127 1.00 0.42 H new ATOM 0 HB3 ARG A 59 7.507 11.020 -0.615 1.00 0.42 H new ATOM 0 HG2 ARG A 59 6.611 12.131 1.617 1.00 0.64 H new ATOM 0 HG3 ARG A 59 6.370 13.531 0.589 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.253 10.752 0.055 1.00 0.68 H new ATOM 0 HD3 ARG A 59 4.349 12.086 0.742 1.00 0.68 H new ATOM 0 HE ARG A 59 5.454 12.955 -1.747 1.00 1.41 H new ATOM 0 HH11 ARG A 59 3.081 10.673 -0.458 1.00 1.78 H new ATOM 0 HH12 ARG A 59 2.050 10.749 -1.891 1.00 1.78 H new ATOM 0 HH21 ARG A 59 4.127 13.040 -3.597 1.00 2.81 H new ATOM 0 HH22 ARG A 59 2.642 12.086 -3.664 1.00 2.81 H new ATOM 867 N PRO A 60 10.939 10.804 -0.136 1.00 0.23 N ATOM 868 CA PRO A 60 12.121 10.438 -0.930 1.00 0.26 C ATOM 869 C PRO A 60 11.824 10.331 -2.421 1.00 0.26 C ATOM 870 O PRO A 60 10.733 9.926 -2.825 1.00 0.28 O ATOM 871 CB PRO A 60 12.525 9.064 -0.376 1.00 0.30 C ATOM 872 CG PRO A 60 11.375 8.630 0.469 1.00 0.28 C ATOM 873 CD PRO A 60 10.762 9.889 0.995 1.00 0.21 C ATOM 0 HA PRO A 60 12.900 11.196 -0.848 1.00 0.26 H new ATOM 0 HB2 PRO A 60 12.712 8.354 -1.182 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.442 9.130 0.210 1.00 0.30 H new ATOM 0 HG2 PRO A 60 10.654 8.058 -0.115 1.00 0.28 H new ATOM 0 HG3 PRO A 60 11.708 7.987 1.283 1.00 0.28 H new ATOM 0 HD2 PRO A 60 9.711 9.756 1.252 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.267 10.246 1.893 1.00 0.21 H new ATOM 881 N VAL A 61 12.807 10.680 -3.235 1.00 0.29 N ATOM 882 CA VAL A 61 12.634 10.668 -4.676 1.00 0.31 C ATOM 883 C VAL A 61 13.165 9.361 -5.242 1.00 0.28 C ATOM 884 O VAL A 61 14.059 8.740 -4.658 1.00 0.27 O ATOM 885 CB VAL A 61 13.376 11.845 -5.349 1.00 0.40 C ATOM 886 CG1 VAL A 61 12.965 11.991 -6.804 1.00 0.81 C ATOM 887 CG2 VAL A 61 13.134 13.140 -4.592 1.00 0.88 C ATOM 0 H VAL A 61 13.732 10.975 -2.922 1.00 0.29 H new ATOM 0 HA VAL A 61 11.569 10.769 -4.884 1.00 0.31 H new ATOM 0 HB VAL A 61 14.443 11.626 -5.321 1.00 0.40 H new ATOM 0 HG11 VAL A 61 13.503 12.827 -7.252 1.00 0.81 H new ATOM 0 HG12 VAL A 61 13.204 11.075 -7.343 1.00 0.81 H new ATOM 0 HG13 VAL A 61 11.893 12.177 -6.862 1.00 0.81 H new ATOM 0 HG21 VAL A 61 13.666 13.954 -5.084 1.00 0.88 H new ATOM 0 HG22 VAL A 61 12.066 13.360 -4.579 1.00 0.88 H new ATOM 0 HG23 VAL A 61 13.496 13.036 -3.569 1.00 0.88 H new ATOM 897 N LYS A 62 12.608 8.933 -6.359 1.00 0.27 N ATOM 898 CA LYS A 62 13.107 7.764 -7.052 1.00 0.27 C ATOM 899 C LYS A 62 14.529 8.015 -7.502 1.00 0.25 C ATOM 900 O LYS A 62 14.817 8.964 -8.233 1.00 0.31 O ATOM 901 CB LYS A 62 12.220 7.402 -8.242 1.00 0.30 C ATOM 902 CG LYS A 62 10.843 6.888 -7.854 1.00 0.37 C ATOM 903 CD LYS A 62 10.092 6.408 -9.078 1.00 0.41 C ATOM 904 CE LYS A 62 8.721 5.855 -8.732 1.00 0.60 C ATOM 905 NZ LYS A 62 8.025 5.366 -9.948 1.00 1.17 N ATOM 0 H LYS A 62 11.807 9.380 -6.806 1.00 0.27 H new ATOM 0 HA LYS A 62 13.090 6.918 -6.365 1.00 0.27 H new ATOM 0 HB2 LYS A 62 12.103 8.281 -8.875 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.724 6.643 -8.840 1.00 0.30 H new ATOM 0 HG2 LYS A 62 10.941 6.073 -7.137 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.279 7.679 -7.361 1.00 0.37 H new ATOM 0 HD2 LYS A 62 9.982 7.234 -9.781 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.676 5.637 -9.581 1.00 0.41 H new ATOM 0 HE2 LYS A 62 8.823 5.041 -8.014 1.00 0.60 H new ATOM 0 HE3 LYS A 62 8.123 6.629 -8.252 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 7.090 4.993 -9.686 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 7.909 6.151 -10.621 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 8.588 4.611 -10.390 1.00 1.17 H new ATOM 919 N GLY A 63 15.410 7.162 -7.035 1.00 0.25 N ATOM 920 CA GLY A 63 16.815 7.345 -7.266 1.00 0.27 C ATOM 921 C GLY A 63 17.579 7.367 -5.970 1.00 0.30 C ATOM 922 O GLY A 63 18.765 7.053 -5.924 1.00 0.42 O ATOM 0 H GLY A 63 15.173 6.332 -6.491 1.00 0.25 H new ATOM 0 HA2 GLY A 63 17.190 6.541 -7.899 1.00 0.27 H new ATOM 0 HA3 GLY A 63 16.980 8.278 -7.805 1.00 0.27 H new ATOM 926 N GLN A 64 16.901 7.742 -4.902 1.00 0.26 N ATOM 927 CA GLN A 64 17.539 7.760 -3.603 1.00 0.28 C ATOM 928 C GLN A 64 17.460 6.376 -2.995 1.00 0.24 C ATOM 929 O GLN A 64 16.410 5.735 -3.052 1.00 0.24 O ATOM 930 CB GLN A 64 16.887 8.774 -2.650 1.00 0.30 C ATOM 931 CG GLN A 64 16.366 10.067 -3.284 1.00 0.36 C ATOM 932 CD GLN A 64 17.402 10.876 -4.063 1.00 0.44 C ATOM 933 OE1 GLN A 64 18.294 10.214 -4.778 1.00 0.59 O flip ATOM 934 NE2 GLN A 64 17.361 12.105 -4.061 1.00 0.43 N flip ATOM 0 H GLN A 64 15.924 8.034 -4.908 1.00 0.26 H new ATOM 0 HA GLN A 64 18.577 8.062 -3.744 1.00 0.28 H new ATOM 0 HB2 GLN A 64 16.056 8.282 -2.145 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.615 9.039 -1.883 1.00 0.30 H new ATOM 0 HG2 GLN A 64 15.544 9.818 -3.955 1.00 0.36 H new ATOM 0 HG3 GLN A 64 15.954 10.698 -2.497 1.00 0.36 H new ATOM 0 HE21 GLN A 64 16.662 12.591 -3.500 1.00 0.43 H new ATOM 0 HE22 GLN A 64 18.026 12.638 -4.621 1.00 0.43 H new ATOM 943 N VAL A 65 18.561 5.898 -2.439 1.00 0.28 N ATOM 944 CA VAL A 65 18.510 4.659 -1.700 1.00 0.31 C ATOM 945 C VAL A 65 18.011 4.963 -0.300 1.00 0.25 C ATOM 946 O VAL A 65 18.451 5.914 0.351 1.00 0.32 O ATOM 947 CB VAL A 65 19.853 3.879 -1.660 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.457 3.782 -3.050 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.837 4.476 -0.668 1.00 1.05 C ATOM 0 H VAL A 65 19.479 6.341 -2.486 1.00 0.28 H new ATOM 0 HA VAL A 65 17.826 3.992 -2.224 1.00 0.31 H new ATOM 0 HB VAL A 65 19.633 2.870 -1.310 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.397 3.232 -3.001 1.00 1.22 H new ATOM 0 HG12 VAL A 65 19.766 3.260 -3.712 1.00 1.22 H new ATOM 0 HG13 VAL A 65 20.643 4.784 -3.437 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.760 3.896 -0.677 1.00 1.05 H new ATOM 0 HG22 VAL A 65 21.054 5.507 -0.947 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.404 4.454 0.332 1.00 1.05 H new ATOM 959 N VAL A 66 17.048 4.200 0.126 1.00 0.19 N ATOM 960 CA VAL A 66 16.355 4.474 1.362 1.00 0.15 C ATOM 961 C VAL A 66 16.341 3.244 2.243 1.00 0.16 C ATOM 962 O VAL A 66 16.337 2.119 1.746 1.00 0.21 O ATOM 963 CB VAL A 66 14.911 4.936 1.076 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.894 6.261 0.330 1.00 0.18 C ATOM 965 CG2 VAL A 66 14.175 3.901 0.256 1.00 0.25 C ATOM 0 H VAL A 66 16.717 3.371 -0.368 1.00 0.19 H new ATOM 0 HA VAL A 66 16.883 5.272 1.884 1.00 0.15 H new ATOM 0 HB VAL A 66 14.414 5.064 2.038 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.863 6.560 0.143 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.390 7.023 0.931 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.418 6.151 -0.620 1.00 0.18 H new ATOM 0 HG21 VAL A 66 13.158 4.244 0.064 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.693 3.752 -0.692 1.00 0.25 H new ATOM 0 HG23 VAL A 66 14.143 2.959 0.803 1.00 0.25 H new ATOM 975 N THR A 67 16.364 3.453 3.544 1.00 0.13 N ATOM 976 CA THR A 67 16.305 2.351 4.472 1.00 0.15 C ATOM 977 C THR A 67 14.887 2.164 4.969 1.00 0.16 C ATOM 978 O THR A 67 14.341 3.016 5.676 1.00 0.21 O ATOM 979 CB THR A 67 17.232 2.566 5.678 1.00 0.20 C ATOM 980 OG1 THR A 67 16.982 3.840 6.276 1.00 0.29 O ATOM 981 CG2 THR A 67 18.690 2.468 5.277 1.00 0.27 C ATOM 0 H THR A 67 16.423 4.374 3.978 1.00 0.13 H new ATOM 0 HA THR A 67 16.638 1.462 3.937 1.00 0.15 H new ATOM 0 HB THR A 67 17.021 1.779 6.402 1.00 0.20 H new ATOM 0 HG1 THR A 67 16.029 4.056 6.199 1.00 0.29 H new ATOM 0 HG21 THR A 67 19.320 2.625 6.153 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.887 1.480 4.861 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.913 3.228 4.529 1.00 0.27 H new ATOM 989 N VAL A 68 14.283 1.058 4.596 1.00 0.15 N ATOM 990 CA VAL A 68 12.970 0.735 5.092 1.00 0.15 C ATOM 991 C VAL A 68 13.043 -0.440 6.037 1.00 0.15 C ATOM 992 O VAL A 68 13.839 -1.343 5.857 1.00 0.17 O ATOM 993 CB VAL A 68 11.965 0.412 3.962 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.522 1.688 3.261 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.567 -0.566 2.964 1.00 0.19 C ATOM 0 H VAL A 68 14.680 0.372 3.954 1.00 0.15 H new ATOM 0 HA VAL A 68 12.610 1.622 5.614 1.00 0.15 H new ATOM 0 HB VAL A 68 11.089 -0.058 4.410 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.815 1.441 2.469 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.043 2.351 3.981 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.390 2.187 2.830 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.841 -0.778 2.179 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.463 -0.130 2.522 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.829 -1.492 3.475 1.00 0.19 H new ATOM 1005 N HIS A 69 12.224 -0.424 7.051 1.00 0.14 N ATOM 1006 CA HIS A 69 12.079 -1.595 7.884 1.00 0.15 C ATOM 1007 C HIS A 69 10.806 -2.274 7.469 1.00 0.14 C ATOM 1008 O HIS A 69 9.733 -1.703 7.605 1.00 0.15 O ATOM 1009 CB HIS A 69 12.013 -1.246 9.384 1.00 0.15 C ATOM 1010 CG HIS A 69 11.770 -2.453 10.266 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.155 -2.548 11.584 1.00 0.19 N ATOM 1012 CD2 HIS A 69 11.166 -3.630 9.985 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.796 -3.736 12.055 1.00 0.18 C ATOM 1014 NE2 HIS A 69 11.201 -4.401 11.105 1.00 0.18 N ATOM 0 H HIS A 69 11.651 0.375 7.323 1.00 0.14 H new ATOM 0 HA HIS A 69 12.949 -2.239 7.752 1.00 0.15 H new ATOM 0 HB2 HIS A 69 12.947 -0.769 9.681 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.218 -0.519 9.547 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.638 -1.822 12.114 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.732 -3.909 9.036 1.00 0.18 H new ATOM 0 HE1 HIS A 69 11.968 -4.093 13.060 1.00 0.18 H new ATOM 1023 N LEU A 70 10.912 -3.490 6.976 1.00 0.15 N ATOM 1024 CA LEU A 70 9.721 -4.197 6.596 1.00 0.16 C ATOM 1025 C LEU A 70 9.552 -5.455 7.417 1.00 0.15 C ATOM 1026 O LEU A 70 10.503 -6.176 7.715 1.00 0.21 O ATOM 1027 CB LEU A 70 9.679 -4.540 5.106 1.00 0.21 C ATOM 1028 CG LEU A 70 10.290 -5.884 4.732 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.795 -6.334 3.370 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.806 -5.806 4.735 1.00 0.38 C ATOM 0 H LEU A 70 11.788 -3.993 6.834 1.00 0.15 H new ATOM 0 HA LEU A 70 8.892 -3.519 6.796 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.640 -4.527 4.776 1.00 0.21 H new ATOM 0 HB3 LEU A 70 10.199 -3.757 4.554 1.00 0.21 H new ATOM 0 HG LEU A 70 9.979 -6.615 5.478 1.00 0.31 H new ATOM 0 HD11 LEU A 70 10.242 -7.296 3.120 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.710 -6.433 3.392 1.00 0.39 H new ATOM 0 HD13 LEU A 70 10.077 -5.596 2.619 1.00 0.39 H new ATOM 0 HD21 LEU A 70 12.221 -6.777 4.465 1.00 0.38 H new ATOM 0 HD22 LEU A 70 12.133 -5.058 4.013 1.00 0.38 H new ATOM 0 HD23 LEU A 70 12.154 -5.527 5.729 1.00 0.38 H new ATOM 1042 N GLN A 71 8.340 -5.661 7.827 1.00 0.13 N ATOM 1043 CA GLN A 71 7.903 -6.925 8.361 1.00 0.14 C ATOM 1044 C GLN A 71 6.578 -7.188 7.719 1.00 0.14 C ATOM 1045 O GLN A 71 5.612 -6.452 7.927 1.00 0.14 O ATOM 1046 CB GLN A 71 7.746 -6.934 9.881 1.00 0.15 C ATOM 1047 CG GLN A 71 8.622 -5.943 10.618 1.00 0.15 C ATOM 1048 CD GLN A 71 7.977 -4.586 10.776 1.00 0.16 C ATOM 1049 OE1 GLN A 71 7.053 -4.266 9.896 1.00 0.27 O flip ATOM 1050 NE2 GLN A 71 8.289 -3.847 11.703 1.00 0.18 N flip ATOM 0 H GLN A 71 7.610 -4.949 7.802 1.00 0.13 H new ATOM 0 HA GLN A 71 8.653 -7.687 8.148 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.704 -6.728 10.125 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.967 -7.936 10.249 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.862 -6.342 11.604 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.564 -5.831 10.082 1.00 0.15 H new ATOM 0 HE21 GLN A 71 9.011 -4.134 12.363 1.00 0.18 H new ATOM 0 HE22 GLN A 71 7.826 -2.945 11.814 1.00 0.18 H new ATOM 1059 N THR A 72 6.553 -8.205 6.926 1.00 0.15 N ATOM 1060 CA THR A 72 5.466 -8.431 6.033 1.00 0.16 C ATOM 1061 C THR A 72 4.579 -9.543 6.535 1.00 0.16 C ATOM 1062 O THR A 72 5.050 -10.636 6.833 1.00 0.17 O ATOM 1063 CB THR A 72 6.015 -8.775 4.660 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.848 -7.709 4.194 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.894 -9.023 3.688 1.00 0.19 C ATOM 0 H THR A 72 7.291 -8.908 6.878 1.00 0.15 H new ATOM 0 HA THR A 72 4.863 -7.525 5.971 1.00 0.16 H new ATOM 0 HB THR A 72 6.608 -9.687 4.736 1.00 0.17 H new ATOM 0 HG1 THR A 72 7.073 -7.857 3.252 1.00 0.19 H new ATOM 0 HG21 THR A 72 5.308 -9.268 2.710 1.00 0.19 H new ATOM 0 HG22 THR A 72 4.283 -9.853 4.042 1.00 0.19 H new ATOM 0 HG23 THR A 72 4.278 -8.128 3.607 1.00 0.19 H new ATOM 1073 N SER A 73 3.302 -9.251 6.620 1.00 0.17 N ATOM 1074 CA SER A 73 2.332 -10.180 7.121 1.00 0.17 C ATOM 1075 C SER A 73 1.523 -10.728 5.964 1.00 0.15 C ATOM 1076 O SER A 73 1.488 -10.148 4.880 1.00 0.26 O ATOM 1077 CB SER A 73 1.405 -9.473 8.119 1.00 0.23 C ATOM 1078 OG SER A 73 0.767 -10.397 8.978 1.00 1.06 O ATOM 0 H SER A 73 2.910 -8.352 6.339 1.00 0.17 H new ATOM 0 HA SER A 73 2.839 -11.000 7.630 1.00 0.17 H new ATOM 0 HB2 SER A 73 1.981 -8.762 8.711 1.00 0.23 H new ATOM 0 HB3 SER A 73 0.653 -8.900 7.576 1.00 0.23 H new ATOM 0 HG SER A 73 0.185 -9.915 9.602 1.00 1.06 H new ATOM 1084 N LEU A 74 0.902 -11.853 6.197 1.00 0.19 N ATOM 1085 CA LEU A 74 0.004 -12.440 5.238 1.00 0.18 C ATOM 1086 C LEU A 74 -1.379 -11.862 5.430 1.00 0.19 C ATOM 1087 O LEU A 74 -1.647 -11.232 6.454 1.00 0.21 O ATOM 1088 CB LEU A 74 -0.017 -13.957 5.405 1.00 0.22 C ATOM 1089 CG LEU A 74 1.278 -14.664 5.012 1.00 0.38 C ATOM 1090 CD1 LEU A 74 1.046 -16.154 4.811 1.00 0.84 C ATOM 1091 CD2 LEU A 74 1.856 -14.021 3.767 1.00 0.72 C ATOM 0 H LEU A 74 1.004 -12.390 7.058 1.00 0.19 H new ATOM 0 HA LEU A 74 0.345 -12.212 4.228 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -0.240 -14.190 6.446 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.832 -14.363 4.806 1.00 0.22 H new ATOM 0 HG LEU A 74 1.999 -14.557 5.822 1.00 0.38 H new ATOM 0 HD11 LEU A 74 1.984 -16.634 4.532 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.676 -16.593 5.738 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.312 -16.304 4.020 1.00 0.84 H new ATOM 0 HD21 LEU A 74 2.780 -14.529 3.491 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.139 -14.101 2.950 1.00 0.72 H new ATOM 0 HD23 LEU A 74 2.065 -12.970 3.964 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.252 -12.061 4.450 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.636 -11.636 4.582 1.00 0.26 C ATOM 1105 C GLU A 75 -4.275 -12.293 5.807 1.00 0.32 C ATOM 1106 O GLU A 75 -5.233 -11.776 6.377 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.432 -11.973 3.321 1.00 0.30 C ATOM 1108 CG GLU A 75 -4.445 -13.448 2.959 1.00 0.34 C ATOM 1109 CD GLU A 75 -5.253 -13.719 1.710 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -6.485 -13.890 1.826 1.00 1.14 O ATOM 1111 OE2 GLU A 75 -4.657 -13.752 0.610 1.00 0.82 O ATOM 0 H GLU A 75 -2.027 -12.511 3.563 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.652 -10.554 4.714 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.460 -11.636 3.455 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -4.018 -11.410 2.484 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -3.422 -13.794 2.811 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.858 -14.021 3.789 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.713 -13.432 6.211 1.00 0.34 N ATOM 1119 CA ASN A 76 -4.190 -14.171 7.377 1.00 0.41 C ATOM 1120 C ASN A 76 -3.551 -13.661 8.668 1.00 0.39 C ATOM 1121 O ASN A 76 -3.884 -14.121 9.763 1.00 0.51 O ATOM 1122 CB ASN A 76 -3.913 -15.668 7.209 1.00 0.50 C ATOM 1123 CG ASN A 76 -2.456 -15.984 6.959 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -1.633 -15.963 7.870 1.00 2.14 O ATOM 1125 ND2 ASN A 76 -2.138 -16.319 5.721 1.00 1.13 N ATOM 0 H ASN A 76 -2.918 -13.866 5.741 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.266 -14.011 7.450 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -4.243 -16.194 8.105 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -4.508 -16.049 6.379 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -1.177 -16.573 5.492 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -2.853 -16.323 4.994 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.628 -12.721 8.542 1.00 0.30 N ATOM 1133 CA GLY A 77 -2.038 -12.108 9.713 1.00 0.32 C ATOM 1134 C GLY A 77 -0.712 -12.724 10.111 1.00 0.32 C ATOM 1135 O GLY A 77 -0.161 -12.386 11.157 1.00 0.51 O ATOM 0 H GLY A 77 -2.277 -12.372 7.650 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -1.894 -11.044 9.524 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.734 -12.192 10.548 1.00 0.32 H new ATOM 1139 N THR A 78 -0.186 -13.627 9.294 1.00 0.28 N ATOM 1140 CA THR A 78 1.104 -14.239 9.595 1.00 0.28 C ATOM 1141 C THR A 78 2.260 -13.470 8.966 1.00 0.23 C ATOM 1142 O THR A 78 2.392 -13.426 7.748 1.00 0.21 O ATOM 1143 CB THR A 78 1.151 -15.705 9.137 1.00 0.34 C ATOM 1144 OG1 THR A 78 0.097 -16.441 9.771 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.494 -16.336 9.473 1.00 0.39 C ATOM 0 H THR A 78 -0.623 -13.949 8.431 1.00 0.28 H new ATOM 0 HA THR A 78 1.216 -14.203 10.679 1.00 0.28 H new ATOM 0 HB THR A 78 1.020 -15.734 8.055 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.612 -16.623 9.120 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.502 -17.373 9.139 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.290 -15.787 8.971 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.653 -16.301 10.551 1.00 0.39 H new ATOM 1153 N ARG A 79 3.091 -12.858 9.800 1.00 0.24 N ATOM 1154 CA ARG A 79 4.269 -12.154 9.316 1.00 0.22 C ATOM 1155 C ARG A 79 5.348 -13.139 8.900 1.00 0.24 C ATOM 1156 O ARG A 79 5.876 -13.903 9.709 1.00 0.33 O ATOM 1157 CB ARG A 79 4.785 -11.158 10.349 1.00 0.25 C ATOM 1158 CG ARG A 79 3.800 -10.027 10.587 1.00 0.25 C ATOM 1159 CD ARG A 79 4.500 -8.705 10.869 1.00 0.28 C ATOM 1160 NE ARG A 79 3.536 -7.606 11.018 1.00 0.33 N ATOM 1161 CZ ARG A 79 3.848 -6.350 11.369 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.094 -6.038 11.693 1.00 0.42 N ATOM 1163 NH2 ARG A 79 2.897 -5.425 11.452 1.00 0.47 N ATOM 0 H ARG A 79 2.971 -12.835 10.813 1.00 0.24 H new ATOM 0 HA ARG A 79 3.983 -11.580 8.435 1.00 0.22 H new ATOM 0 HB2 ARG A 79 4.977 -11.676 11.289 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.736 -10.746 10.012 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.158 -9.917 9.713 1.00 0.25 H new ATOM 0 HG3 ARG A 79 3.154 -10.281 11.428 1.00 0.25 H new ATOM 0 HD2 ARG A 79 5.095 -8.794 11.778 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.190 -8.477 10.057 1.00 0.28 H new ATOM 0 HE ARG A 79 2.553 -7.815 10.841 1.00 0.33 H new ATOM 0 HH11 ARG A 79 5.820 -6.754 11.676 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.327 -5.081 11.959 1.00 0.42 H new ATOM 0 HH21 ARG A 79 1.928 -5.670 11.249 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.136 -4.470 11.719 1.00 0.47 H new ATOM 1177 N VAL A 80 5.665 -13.093 7.620 1.00 0.20 N ATOM 1178 CA VAL A 80 6.491 -14.098 6.981 1.00 0.22 C ATOM 1179 C VAL A 80 7.925 -13.630 6.778 1.00 0.21 C ATOM 1180 O VAL A 80 8.792 -14.412 6.386 1.00 0.27 O ATOM 1181 CB VAL A 80 5.890 -14.488 5.619 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.530 -15.130 5.813 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.787 -13.276 4.697 1.00 0.22 C ATOM 0 H VAL A 80 5.354 -12.352 6.991 1.00 0.20 H new ATOM 0 HA VAL A 80 6.512 -14.960 7.647 1.00 0.22 H new ATOM 0 HB VAL A 80 6.555 -15.211 5.146 1.00 0.23 H new ATOM 0 HG11 VAL A 80 4.114 -15.402 4.843 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.634 -16.025 6.427 1.00 0.26 H new ATOM 0 HG13 VAL A 80 3.863 -14.425 6.309 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.359 -13.581 3.742 1.00 0.22 H new ATOM 0 HG22 VAL A 80 5.148 -12.522 5.157 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.780 -12.858 4.533 1.00 0.22 H new ATOM 1193 N GLN A 81 8.168 -12.354 7.025 1.00 0.18 N ATOM 1194 CA GLN A 81 9.497 -11.790 6.842 1.00 0.19 C ATOM 1195 C GLN A 81 9.685 -10.544 7.697 1.00 0.19 C ATOM 1196 O GLN A 81 8.868 -9.623 7.654 1.00 0.26 O ATOM 1197 CB GLN A 81 9.744 -11.477 5.355 1.00 0.23 C ATOM 1198 CG GLN A 81 8.681 -10.599 4.707 1.00 0.23 C ATOM 1199 CD GLN A 81 8.829 -10.515 3.203 1.00 0.37 C ATOM 1200 OE1 GLN A 81 9.509 -9.641 2.672 1.00 0.59 O ATOM 1201 NE2 GLN A 81 8.176 -11.426 2.504 1.00 0.50 N ATOM 0 H GLN A 81 7.466 -11.690 7.352 1.00 0.18 H new ATOM 0 HA GLN A 81 10.230 -12.528 7.167 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.712 -10.986 5.257 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.806 -12.416 4.805 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.694 -10.992 4.949 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.737 -9.596 5.130 1.00 0.23 H new ATOM 0 HE21 GLN A 81 7.622 -12.136 2.983 1.00 0.50 H new ATOM 0 HE22 GLN A 81 8.226 -11.420 1.485 1.00 0.50 H new ATOM 1210 N GLU A 82 10.747 -10.535 8.494 1.00 0.24 N ATOM 1211 CA GLU A 82 11.094 -9.372 9.301 1.00 0.24 C ATOM 1212 C GLU A 82 12.503 -8.908 8.964 1.00 0.25 C ATOM 1213 O GLU A 82 13.465 -9.667 9.085 1.00 0.41 O ATOM 1214 CB GLU A 82 11.008 -9.681 10.799 1.00 0.35 C ATOM 1215 CG GLU A 82 11.401 -8.494 11.675 1.00 0.44 C ATOM 1216 CD GLU A 82 11.623 -8.856 13.133 1.00 0.82 C ATOM 1217 OE1 GLU A 82 12.209 -9.930 13.398 1.00 1.21 O ATOM 1218 OE2 GLU A 82 11.174 -8.099 14.018 1.00 1.34 O ATOM 0 H GLU A 82 11.385 -11.324 8.599 1.00 0.24 H new ATOM 0 HA GLU A 82 10.377 -8.584 9.071 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.990 -9.985 11.044 1.00 0.35 H new ATOM 0 HB3 GLU A 82 11.657 -10.526 11.028 1.00 0.35 H new ATOM 0 HG2 GLU A 82 12.313 -8.048 11.278 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.621 -7.735 11.613 1.00 0.44 H new ATOM 1225 N GLU A 83 12.618 -7.666 8.541 1.00 0.22 N ATOM 1226 CA GLU A 83 13.902 -7.090 8.213 1.00 0.26 C ATOM 1227 C GLU A 83 13.954 -5.631 8.647 1.00 0.23 C ATOM 1228 O GLU A 83 13.215 -4.787 8.140 1.00 0.24 O ATOM 1229 CB GLU A 83 14.167 -7.273 6.713 1.00 0.39 C ATOM 1230 CG GLU A 83 15.195 -6.327 6.124 1.00 1.20 C ATOM 1231 CD GLU A 83 15.796 -6.876 4.846 1.00 1.73 C ATOM 1232 OE1 GLU A 83 15.209 -6.664 3.768 1.00 2.59 O ATOM 1233 OE2 GLU A 83 16.849 -7.550 4.920 1.00 1.69 O ATOM 0 H GLU A 83 11.829 -7.032 8.416 1.00 0.22 H new ATOM 0 HA GLU A 83 14.696 -7.603 8.756 1.00 0.26 H new ATOM 0 HB2 GLU A 83 14.497 -8.297 6.540 1.00 0.39 H new ATOM 0 HB3 GLU A 83 13.228 -7.145 6.175 1.00 0.39 H new ATOM 0 HG2 GLU A 83 14.728 -5.363 5.922 1.00 1.20 H new ATOM 0 HG3 GLU A 83 15.987 -6.151 6.852 1.00 1.20 H new ATOM 1240 N PRO A 84 14.830 -5.332 9.620 1.00 0.23 N ATOM 1241 CA PRO A 84 14.901 -4.022 10.270 1.00 0.21 C ATOM 1242 C PRO A 84 15.445 -2.933 9.358 1.00 0.19 C ATOM 1243 O PRO A 84 15.243 -1.747 9.616 1.00 0.20 O ATOM 1244 CB PRO A 84 15.859 -4.242 11.453 1.00 0.25 C ATOM 1245 CG PRO A 84 16.039 -5.719 11.557 1.00 0.50 C ATOM 1246 CD PRO A 84 15.828 -6.256 10.172 1.00 0.31 C ATOM 0 HA PRO A 84 13.908 -3.679 10.562 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.813 -3.742 11.283 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.444 -3.832 12.374 1.00 0.25 H new ATOM 0 HG2 PRO A 84 17.035 -5.966 11.925 1.00 0.50 H new ATOM 0 HG3 PRO A 84 15.324 -6.152 12.257 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.750 -6.252 9.591 1.00 0.31 H new ATOM 0 HD3 PRO A 84 15.465 -7.284 10.186 1.00 0.31 H new ATOM 1254 N GLU A 85 16.122 -3.320 8.290 1.00 0.20 N ATOM 1255 CA GLU A 85 16.726 -2.343 7.407 1.00 0.22 C ATOM 1256 C GLU A 85 16.955 -2.908 6.022 1.00 0.24 C ATOM 1257 O GLU A 85 17.819 -3.749 5.794 1.00 0.35 O ATOM 1258 CB GLU A 85 18.032 -1.805 7.991 1.00 0.31 C ATOM 1259 CG GLU A 85 18.597 -0.633 7.209 1.00 0.34 C ATOM 1260 CD GLU A 85 19.475 0.260 8.055 1.00 0.90 C ATOM 1261 OE1 GLU A 85 18.986 0.814 9.054 1.00 1.37 O ATOM 1262 OE2 GLU A 85 20.675 0.380 7.729 1.00 1.30 O ATOM 0 H GLU A 85 16.265 -4.292 8.017 1.00 0.20 H new ATOM 0 HA GLU A 85 16.024 -1.514 7.316 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.862 -1.497 9.023 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.770 -2.607 8.015 1.00 0.31 H new ATOM 0 HG2 GLU A 85 19.174 -1.009 6.364 1.00 0.34 H new ATOM 0 HG3 GLU A 85 17.776 -0.045 6.798 1.00 0.34 H new ATOM 1269 N LEU A 86 16.145 -2.420 5.120 1.00 0.23 N ATOM 1270 CA LEU A 86 16.199 -2.755 3.728 1.00 0.24 C ATOM 1271 C LEU A 86 16.514 -1.493 2.936 1.00 0.23 C ATOM 1272 O LEU A 86 15.678 -0.601 2.825 1.00 0.25 O ATOM 1273 CB LEU A 86 14.845 -3.333 3.303 1.00 0.26 C ATOM 1274 CG LEU A 86 14.611 -3.416 1.803 1.00 0.33 C ATOM 1275 CD1 LEU A 86 15.610 -4.354 1.168 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.192 -3.867 1.506 1.00 0.38 C ATOM 0 H LEU A 86 15.405 -1.755 5.346 1.00 0.23 H new ATOM 0 HA LEU A 86 16.974 -3.498 3.539 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.748 -4.334 3.724 1.00 0.26 H new ATOM 0 HB3 LEU A 86 14.055 -2.724 3.743 1.00 0.26 H new ATOM 0 HG LEU A 86 14.748 -2.422 1.377 1.00 0.33 H new ATOM 0 HD11 LEU A 86 15.431 -4.404 0.094 1.00 0.38 H new ATOM 0 HD12 LEU A 86 16.620 -3.988 1.351 1.00 0.38 H new ATOM 0 HD13 LEU A 86 15.501 -5.349 1.600 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.045 -3.920 0.427 1.00 0.38 H new ATOM 0 HD22 LEU A 86 13.024 -4.851 1.944 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.487 -3.154 1.934 1.00 0.38 H new ATOM 1288 N VAL A 87 17.729 -1.390 2.438 1.00 0.24 N ATOM 1289 CA VAL A 87 18.117 -0.232 1.654 1.00 0.22 C ATOM 1290 C VAL A 87 18.070 -0.573 0.163 1.00 0.21 C ATOM 1291 O VAL A 87 18.561 -1.620 -0.262 1.00 0.28 O ATOM 1292 CB VAL A 87 19.521 0.279 2.055 1.00 0.27 C ATOM 1293 CG1 VAL A 87 20.593 -0.763 1.779 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.841 1.586 1.347 1.00 0.94 C ATOM 0 H VAL A 87 18.462 -2.089 2.560 1.00 0.24 H new ATOM 0 HA VAL A 87 17.408 0.571 1.857 1.00 0.22 H new ATOM 0 HB VAL A 87 19.511 0.464 3.129 1.00 0.27 H new ATOM 0 HG11 VAL A 87 21.566 -0.370 2.073 1.00 1.00 H new ATOM 0 HG12 VAL A 87 20.379 -1.666 2.351 1.00 1.00 H new ATOM 0 HG13 VAL A 87 20.604 -1.001 0.715 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.833 1.927 1.644 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.818 1.431 0.268 1.00 0.94 H new ATOM 0 HG23 VAL A 87 19.102 2.339 1.621 1.00 0.94 H new ATOM 1304 N PHE A 88 17.453 0.299 -0.620 1.00 0.17 N ATOM 1305 CA PHE A 88 17.276 0.058 -2.048 1.00 0.19 C ATOM 1306 C PHE A 88 17.082 1.370 -2.790 1.00 0.20 C ATOM 1307 O PHE A 88 16.769 2.392 -2.180 1.00 0.23 O ATOM 1308 CB PHE A 88 16.068 -0.845 -2.280 1.00 0.21 C ATOM 1309 CG PHE A 88 14.757 -0.196 -1.953 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.349 -0.075 -0.637 1.00 0.19 C ATOM 1311 CD2 PHE A 88 13.938 0.297 -2.955 1.00 0.17 C ATOM 1312 CE1 PHE A 88 13.153 0.527 -0.324 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.738 0.901 -2.650 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.321 0.986 -1.368 1.00 0.15 C ATOM 0 H PHE A 88 17.065 1.183 -0.291 1.00 0.17 H new ATOM 0 HA PHE A 88 18.172 -0.432 -2.428 1.00 0.19 H new ATOM 0 HB2 PHE A 88 16.057 -1.160 -3.323 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.178 -1.746 -1.676 1.00 0.21 H new ATOM 0 HD1 PHE A 88 14.977 -0.458 0.154 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.243 0.207 -3.987 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.854 0.647 0.707 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.127 1.309 -3.441 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.352 1.405 -1.142 1.00 0.15 H new ATOM 1324 N THR A 89 17.258 1.331 -4.101 1.00 0.23 N ATOM 1325 CA THR A 89 17.082 2.506 -4.934 1.00 0.25 C ATOM 1326 C THR A 89 15.629 2.618 -5.392 1.00 0.21 C ATOM 1327 O THR A 89 15.116 1.728 -6.074 1.00 0.22 O ATOM 1328 CB THR A 89 18.002 2.450 -6.169 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.324 2.058 -5.779 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.062 3.800 -6.868 1.00 0.37 C ATOM 0 H THR A 89 17.525 0.490 -4.613 1.00 0.23 H new ATOM 0 HA THR A 89 17.345 3.380 -4.338 1.00 0.25 H new ATOM 0 HB THR A 89 17.590 1.716 -6.862 1.00 0.33 H new ATOM 0 HG1 THR A 89 19.902 2.023 -6.570 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.718 3.732 -7.736 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.061 4.087 -7.191 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.450 4.550 -6.178 1.00 0.37 H new ATOM 1338 N LEU A 90 14.968 3.694 -4.985 1.00 0.19 N ATOM 1339 CA LEU A 90 13.593 3.959 -5.403 1.00 0.16 C ATOM 1340 C LEU A 90 13.485 4.107 -6.912 1.00 0.15 C ATOM 1341 O LEU A 90 14.322 4.752 -7.539 1.00 0.18 O ATOM 1342 CB LEU A 90 13.069 5.233 -4.752 1.00 0.16 C ATOM 1343 CG LEU A 90 12.702 5.108 -3.285 1.00 0.34 C ATOM 1344 CD1 LEU A 90 12.177 6.430 -2.753 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.677 4.005 -3.096 1.00 0.60 C ATOM 0 H LEU A 90 15.361 4.401 -4.364 1.00 0.19 H new ATOM 0 HA LEU A 90 12.995 3.104 -5.086 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.825 6.012 -4.855 1.00 0.16 H new ATOM 0 HB3 LEU A 90 12.190 5.567 -5.302 1.00 0.16 H new ATOM 0 HG LEU A 90 13.597 4.848 -2.720 1.00 0.34 H new ATOM 0 HD11 LEU A 90 11.919 6.322 -1.700 1.00 0.60 H new ATOM 0 HD12 LEU A 90 12.944 7.196 -2.861 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.290 6.722 -3.316 1.00 0.60 H new ATOM 0 HD21 LEU A 90 11.421 3.924 -2.040 1.00 0.60 H new ATOM 0 HD22 LEU A 90 10.780 4.239 -3.670 1.00 0.60 H new ATOM 0 HD23 LEU A 90 12.093 3.059 -3.442 1.00 0.60 H new ATOM 1357 N GLY A 91 12.462 3.498 -7.491 1.00 0.20 N ATOM 1358 CA GLY A 91 12.214 3.648 -8.909 1.00 0.23 C ATOM 1359 C GLY A 91 13.188 2.841 -9.727 1.00 0.26 C ATOM 1360 O GLY A 91 13.304 3.020 -10.943 1.00 0.37 O ATOM 0 H GLY A 91 11.796 2.900 -7.002 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.196 3.332 -9.137 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.290 4.700 -9.184 1.00 0.23 H new ATOM 1364 N ASP A 92 13.898 1.954 -9.052 1.00 0.27 N ATOM 1365 CA ASP A 92 14.880 1.112 -9.705 1.00 0.32 C ATOM 1366 C ASP A 92 14.404 -0.319 -9.670 1.00 0.30 C ATOM 1367 O ASP A 92 15.028 -1.215 -10.239 1.00 0.37 O ATOM 1368 CB ASP A 92 16.247 1.265 -9.033 1.00 0.42 C ATOM 1369 CG ASP A 92 17.402 0.870 -9.934 1.00 0.59 C ATOM 1370 OD1 ASP A 92 17.826 1.693 -10.763 1.00 0.93 O ATOM 1371 OD2 ASP A 92 17.875 -0.284 -9.826 1.00 0.82 O ATOM 0 H ASP A 92 13.811 1.799 -8.048 1.00 0.27 H new ATOM 0 HA ASP A 92 14.994 1.417 -10.745 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.377 2.301 -8.719 1.00 0.42 H new ATOM 0 HB3 ASP A 92 16.272 0.653 -8.131 1.00 0.42 H new ATOM 1376 N CYS A 93 13.261 -0.512 -9.008 1.00 0.28 N ATOM 1377 CA CYS A 93 12.631 -1.818 -8.910 1.00 0.27 C ATOM 1378 C CYS A 93 13.595 -2.803 -8.283 1.00 0.26 C ATOM 1379 O CYS A 93 13.610 -3.987 -8.621 1.00 0.31 O ATOM 1380 CB CYS A 93 12.191 -2.305 -10.290 1.00 0.38 C ATOM 1381 SG CYS A 93 11.201 -1.103 -11.212 1.00 0.62 S ATOM 0 H CYS A 93 12.753 0.232 -8.529 1.00 0.28 H new ATOM 0 HA CYS A 93 11.745 -1.738 -8.280 1.00 0.27 H new ATOM 0 HB2 CYS A 93 13.076 -2.557 -10.875 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.614 -3.223 -10.174 1.00 0.38 H new ATOM 0 HG CYS A 93 10.136 -0.803 -10.529 1.00 0.62 H new ATOM 1387 N ASP A 94 14.387 -2.300 -7.345 1.00 0.27 N ATOM 1388 CA ASP A 94 15.364 -3.120 -6.659 1.00 0.33 C ATOM 1389 C ASP A 94 14.632 -4.019 -5.672 1.00 0.33 C ATOM 1390 O ASP A 94 15.195 -4.947 -5.089 1.00 0.48 O ATOM 1391 CB ASP A 94 16.390 -2.235 -5.941 1.00 0.41 C ATOM 1392 CG ASP A 94 17.516 -3.026 -5.303 1.00 0.65 C ATOM 1393 OD1 ASP A 94 18.351 -3.578 -6.044 1.00 0.96 O ATOM 1394 OD2 ASP A 94 17.566 -3.105 -4.058 1.00 1.33 O ATOM 0 H ASP A 94 14.368 -1.325 -7.045 1.00 0.27 H new ATOM 0 HA ASP A 94 15.906 -3.737 -7.376 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.811 -1.526 -6.654 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.883 -1.652 -5.172 1.00 0.41 H new ATOM 1399 N VAL A 95 13.346 -3.727 -5.526 1.00 0.23 N ATOM 1400 CA VAL A 95 12.472 -4.417 -4.589 1.00 0.21 C ATOM 1401 C VAL A 95 11.174 -4.839 -5.271 1.00 0.20 C ATOM 1402 O VAL A 95 11.110 -4.935 -6.497 1.00 0.22 O ATOM 1403 CB VAL A 95 12.131 -3.486 -3.419 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.346 -3.278 -2.543 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.626 -2.152 -3.949 1.00 0.19 C ATOM 0 H VAL A 95 12.876 -2.996 -6.061 1.00 0.23 H new ATOM 0 HA VAL A 95 12.993 -5.304 -4.228 1.00 0.21 H new ATOM 0 HB VAL A 95 11.347 -3.946 -2.818 1.00 0.20 H new ATOM 0 HG11 VAL A 95 13.090 -2.615 -1.717 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.679 -4.238 -2.148 1.00 0.23 H new ATOM 0 HG13 VAL A 95 14.147 -2.831 -3.132 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.386 -1.496 -3.113 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.398 -1.689 -4.564 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.732 -2.315 -4.551 1.00 0.19 H new ATOM 1415 N ILE A 96 10.134 -5.073 -4.475 1.00 0.19 N ATOM 1416 CA ILE A 96 8.827 -5.360 -5.011 1.00 0.19 C ATOM 1417 C ILE A 96 8.193 -4.040 -5.398 1.00 0.16 C ATOM 1418 O ILE A 96 8.341 -3.046 -4.686 1.00 0.15 O ATOM 1419 CB ILE A 96 7.939 -6.117 -4.000 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.835 -5.346 -2.684 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.499 -7.513 -3.760 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.898 -5.982 -1.678 1.00 0.29 C ATOM 0 H ILE A 96 10.182 -5.067 -3.456 1.00 0.19 H new ATOM 0 HA ILE A 96 8.925 -6.013 -5.878 1.00 0.19 H new ATOM 0 HB ILE A 96 6.936 -6.207 -4.417 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.828 -5.264 -2.242 1.00 0.25 H new ATOM 0 HG13 ILE A 96 7.495 -4.332 -2.893 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.867 -8.041 -3.046 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.521 -8.063 -4.701 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.511 -7.436 -3.362 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.876 -5.379 -0.770 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.895 -6.039 -2.100 1.00 0.29 H new ATOM 0 HD13 ILE A 96 7.248 -6.986 -1.439 1.00 0.29 H new ATOM 1434 N GLN A 97 7.530 -4.015 -6.532 1.00 0.17 N ATOM 1435 CA GLN A 97 7.030 -2.765 -7.081 1.00 0.17 C ATOM 1436 C GLN A 97 6.060 -2.090 -6.113 1.00 0.16 C ATOM 1437 O GLN A 97 5.964 -0.862 -6.080 1.00 0.16 O ATOM 1438 CB GLN A 97 6.355 -2.977 -8.432 1.00 0.19 C ATOM 1439 CG GLN A 97 6.308 -1.705 -9.260 1.00 0.25 C ATOM 1440 CD GLN A 97 7.613 -1.415 -9.983 1.00 0.31 C ATOM 1441 OE1 GLN A 97 8.564 -0.786 -9.299 1.00 0.40 O flip ATOM 1442 NE2 GLN A 97 7.777 -1.784 -11.145 1.00 0.32 N flip ATOM 0 H GLN A 97 7.323 -4.840 -7.094 1.00 0.17 H new ATOM 0 HA GLN A 97 7.890 -2.112 -7.228 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.890 -3.748 -8.986 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.340 -3.343 -8.275 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.504 -1.785 -9.992 1.00 0.25 H new ATOM 0 HG3 GLN A 97 6.065 -0.864 -8.610 1.00 0.25 H new ATOM 0 HE21 GLN A 97 7.024 -2.264 -11.639 1.00 0.32 H new ATOM 0 HE22 GLN A 97 8.666 -1.610 -11.615 1.00 0.32 H new ATOM 1451 N ALA A 98 5.355 -2.895 -5.324 1.00 0.17 N ATOM 1452 CA ALA A 98 4.469 -2.376 -4.286 1.00 0.18 C ATOM 1453 C ALA A 98 5.232 -1.464 -3.344 1.00 0.17 C ATOM 1454 O ALA A 98 4.734 -0.422 -2.926 1.00 0.20 O ATOM 1455 CB ALA A 98 3.850 -3.520 -3.500 1.00 0.20 C ATOM 0 H ALA A 98 5.380 -3.913 -5.384 1.00 0.17 H new ATOM 0 HA ALA A 98 3.676 -1.804 -4.768 1.00 0.18 H new ATOM 0 HB1 ALA A 98 3.192 -3.118 -2.730 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.275 -4.155 -4.174 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.639 -4.109 -3.032 1.00 0.20 H new ATOM 1461 N LEU A 99 6.452 -1.859 -3.028 1.00 0.17 N ATOM 1462 CA LEU A 99 7.282 -1.090 -2.118 1.00 0.17 C ATOM 1463 C LEU A 99 7.911 0.088 -2.837 1.00 0.15 C ATOM 1464 O LEU A 99 7.954 1.203 -2.319 1.00 0.15 O ATOM 1465 CB LEU A 99 8.396 -1.938 -1.522 1.00 0.19 C ATOM 1466 CG LEU A 99 9.218 -1.211 -0.457 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.337 -0.819 0.717 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.383 -2.060 0.009 1.00 0.22 C ATOM 0 H LEU A 99 6.890 -2.707 -3.388 1.00 0.17 H new ATOM 0 HA LEU A 99 6.632 -0.739 -1.316 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.962 -2.836 -1.083 1.00 0.19 H new ATOM 0 HB3 LEU A 99 9.061 -2.264 -2.322 1.00 0.19 H new ATOM 0 HG LEU A 99 9.624 -0.304 -0.905 1.00 0.18 H new ATOM 0 HD11 LEU A 99 8.937 -0.303 1.466 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.542 -0.158 0.371 1.00 0.21 H new ATOM 0 HD13 LEU A 99 7.899 -1.714 1.158 1.00 0.21 H new ATOM 0 HD21 LEU A 99 10.949 -1.517 0.766 1.00 0.22 H new ATOM 0 HD22 LEU A 99 10.008 -2.991 0.435 1.00 0.22 H new ATOM 0 HD23 LEU A 99 11.032 -2.284 -0.838 1.00 0.22 H new ATOM 1480 N ASP A 100 8.372 -0.176 -4.046 1.00 0.15 N ATOM 1481 CA ASP A 100 9.116 0.795 -4.828 1.00 0.16 C ATOM 1482 C ASP A 100 8.269 2.033 -5.064 1.00 0.15 C ATOM 1483 O ASP A 100 8.778 3.147 -5.171 1.00 0.16 O ATOM 1484 CB ASP A 100 9.534 0.144 -6.148 1.00 0.17 C ATOM 1485 CG ASP A 100 10.348 1.049 -7.049 1.00 0.20 C ATOM 1486 OD1 ASP A 100 11.582 1.112 -6.880 1.00 0.21 O ATOM 1487 OD2 ASP A 100 9.745 1.735 -7.898 1.00 0.26 O ATOM 0 H ASP A 100 8.241 -1.072 -4.515 1.00 0.15 H new ATOM 0 HA ASP A 100 10.011 1.108 -4.290 1.00 0.16 H new ATOM 0 HB2 ASP A 100 10.114 -0.753 -5.931 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.640 -0.176 -6.683 1.00 0.17 H new ATOM 1492 N LEU A 101 6.965 1.819 -5.131 1.00 0.16 N ATOM 1493 CA LEU A 101 6.018 2.896 -5.311 1.00 0.16 C ATOM 1494 C LEU A 101 5.514 3.478 -3.982 1.00 0.15 C ATOM 1495 O LEU A 101 5.299 4.690 -3.870 1.00 0.16 O ATOM 1496 CB LEU A 101 4.844 2.390 -6.141 1.00 0.19 C ATOM 1497 CG LEU A 101 5.198 1.875 -7.539 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.948 1.395 -8.260 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.906 2.953 -8.345 1.00 0.25 C ATOM 0 H LEU A 101 6.539 0.895 -5.062 1.00 0.16 H new ATOM 0 HA LEU A 101 6.532 3.706 -5.828 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.352 1.588 -5.591 1.00 0.19 H new ATOM 0 HB3 LEU A 101 4.119 3.198 -6.243 1.00 0.19 H new ATOM 0 HG LEU A 101 5.879 1.030 -7.433 1.00 0.22 H new ATOM 0 HD11 LEU A 101 4.217 1.032 -9.252 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.487 0.588 -7.691 1.00 0.25 H new ATOM 0 HD13 LEU A 101 3.243 2.221 -8.354 1.00 0.25 H new ATOM 0 HD21 LEU A 101 6.149 2.567 -9.335 1.00 0.25 H new ATOM 0 HD22 LEU A 101 5.254 3.821 -8.444 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.824 3.245 -7.835 1.00 0.25 H new ATOM 1511 N SER A 102 5.337 2.632 -2.970 1.00 0.15 N ATOM 1512 CA SER A 102 4.696 3.066 -1.734 1.00 0.17 C ATOM 1513 C SER A 102 5.606 4.005 -0.945 1.00 0.15 C ATOM 1514 O SER A 102 5.139 4.895 -0.232 1.00 0.18 O ATOM 1515 CB SER A 102 4.309 1.852 -0.888 1.00 0.23 C ATOM 1516 OG SER A 102 5.416 0.994 -0.690 1.00 1.01 O ATOM 0 H SER A 102 5.625 1.654 -2.981 1.00 0.15 H new ATOM 0 HA SER A 102 3.791 3.617 -1.991 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.926 2.185 0.077 1.00 0.23 H new ATOM 0 HB3 SER A 102 3.504 1.305 -1.379 1.00 0.23 H new ATOM 0 HG SER A 102 5.142 0.227 -0.145 1.00 1.01 H new ATOM 1522 N VAL A 103 6.903 3.807 -1.106 1.00 0.15 N ATOM 1523 CA VAL A 103 7.904 4.598 -0.407 1.00 0.16 C ATOM 1524 C VAL A 103 7.887 6.075 -0.811 1.00 0.16 C ATOM 1525 O VAL A 103 7.801 6.939 0.050 1.00 0.18 O ATOM 1526 CB VAL A 103 9.302 4.032 -0.626 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.350 4.942 -0.003 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.391 2.634 -0.046 1.00 0.19 C ATOM 0 H VAL A 103 7.293 3.095 -1.724 1.00 0.15 H new ATOM 0 HA VAL A 103 7.644 4.539 0.650 1.00 0.16 H new ATOM 0 HB VAL A 103 9.496 3.978 -1.697 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.342 4.522 -0.169 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.293 5.930 -0.461 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.167 5.028 1.068 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.393 2.237 -0.207 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.182 2.670 1.023 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.662 1.989 -0.537 1.00 0.19 H new ATOM 1538 N PRO A 104 7.992 6.402 -2.113 1.00 0.17 N ATOM 1539 CA PRO A 104 7.877 7.789 -2.571 1.00 0.21 C ATOM 1540 C PRO A 104 6.488 8.359 -2.298 1.00 0.19 C ATOM 1541 O PRO A 104 6.291 9.576 -2.273 1.00 0.22 O ATOM 1542 CB PRO A 104 8.150 7.709 -4.073 1.00 0.27 C ATOM 1543 CG PRO A 104 7.923 6.286 -4.438 1.00 0.21 C ATOM 1544 CD PRO A 104 8.277 5.482 -3.224 1.00 0.17 C ATOM 0 HA PRO A 104 8.569 8.452 -2.051 1.00 0.21 H new ATOM 0 HB2 PRO A 104 7.484 8.369 -4.629 1.00 0.27 H new ATOM 0 HB3 PRO A 104 9.170 8.016 -4.304 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.885 6.119 -4.727 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.541 5.999 -5.289 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.680 4.572 -3.156 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.323 5.177 -3.235 1.00 0.17 H new ATOM 1552 N LEU A 105 5.521 7.465 -2.111 1.00 0.18 N ATOM 1553 CA LEU A 105 4.191 7.853 -1.667 1.00 0.19 C ATOM 1554 C LEU A 105 4.175 8.118 -0.160 1.00 0.22 C ATOM 1555 O LEU A 105 3.241 8.724 0.371 1.00 0.32 O ATOM 1556 CB LEU A 105 3.183 6.756 -2.002 1.00 0.18 C ATOM 1557 CG LEU A 105 2.851 6.591 -3.488 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.679 5.640 -3.663 1.00 0.53 C ATOM 1559 CD2 LEU A 105 2.544 7.938 -4.127 1.00 0.64 C ATOM 0 H LEU A 105 5.637 6.463 -2.262 1.00 0.18 H new ATOM 0 HA LEU A 105 3.916 8.770 -2.187 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.568 5.808 -1.627 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.258 6.961 -1.462 1.00 0.18 H new ATOM 0 HG LEU A 105 3.722 6.169 -3.989 1.00 0.25 H new ATOM 0 HD11 LEU A 105 1.454 5.532 -4.724 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.935 4.666 -3.245 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.806 6.039 -3.146 1.00 0.53 H new ATOM 0 HD21 LEU A 105 2.311 7.795 -5.182 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.690 8.393 -3.625 1.00 0.64 H new ATOM 0 HD23 LEU A 105 3.411 8.592 -4.032 1.00 0.64 H new ATOM 1571 N MET A 106 5.198 7.635 0.524 1.00 0.20 N ATOM 1572 CA MET A 106 5.319 7.790 1.965 1.00 0.24 C ATOM 1573 C MET A 106 6.299 8.922 2.306 1.00 0.21 C ATOM 1574 O MET A 106 7.149 9.281 1.490 1.00 0.26 O ATOM 1575 CB MET A 106 5.767 6.448 2.573 1.00 0.33 C ATOM 1576 CG MET A 106 7.159 6.453 3.176 1.00 0.53 C ATOM 1577 SD MET A 106 7.803 4.786 3.437 1.00 0.78 S ATOM 1578 CE MET A 106 6.608 4.131 4.593 1.00 0.54 C ATOM 0 H MET A 106 5.970 7.123 0.096 1.00 0.20 H new ATOM 0 HA MET A 106 4.354 8.065 2.391 1.00 0.24 H new ATOM 0 HB2 MET A 106 5.054 6.159 3.345 1.00 0.33 H new ATOM 0 HB3 MET A 106 5.725 5.683 1.798 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.834 7.002 2.519 1.00 0.53 H new ATOM 0 HG3 MET A 106 7.138 6.984 4.127 1.00 0.53 H new ATOM 0 HE1 MET A 106 7.107 3.881 5.530 1.00 0.54 H new ATOM 0 HE2 MET A 106 5.836 4.877 4.781 1.00 0.54 H new ATOM 0 HE3 MET A 106 6.151 3.234 4.175 1.00 0.54 H new ATOM 1588 N ASP A 107 6.163 9.496 3.496 1.00 0.18 N ATOM 1589 CA ASP A 107 7.043 10.578 3.930 1.00 0.18 C ATOM 1590 C ASP A 107 8.194 10.037 4.764 1.00 0.14 C ATOM 1591 O ASP A 107 8.086 8.975 5.381 1.00 0.13 O ATOM 1592 CB ASP A 107 6.263 11.615 4.742 1.00 0.25 C ATOM 1593 CG ASP A 107 6.102 12.932 4.011 1.00 0.56 C ATOM 1594 OD1 ASP A 107 7.004 13.793 4.110 1.00 0.97 O ATOM 1595 OD2 ASP A 107 5.077 13.112 3.327 1.00 0.92 O ATOM 0 H ASP A 107 5.452 9.231 4.178 1.00 0.18 H new ATOM 0 HA ASP A 107 7.448 11.056 3.038 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.278 11.215 4.983 1.00 0.25 H new ATOM 0 HB3 ASP A 107 6.776 11.790 5.688 1.00 0.25 H new ATOM 1600 N VAL A 108 9.306 10.763 4.775 1.00 0.16 N ATOM 1601 CA VAL A 108 10.453 10.369 5.574 1.00 0.16 C ATOM 1602 C VAL A 108 10.092 10.367 7.046 1.00 0.15 C ATOM 1603 O VAL A 108 9.637 11.369 7.597 1.00 0.19 O ATOM 1604 CB VAL A 108 11.679 11.288 5.321 1.00 0.21 C ATOM 1605 CG1 VAL A 108 12.596 11.360 6.538 1.00 0.68 C ATOM 1606 CG2 VAL A 108 12.470 10.797 4.118 1.00 0.80 C ATOM 0 H VAL A 108 9.435 11.623 4.242 1.00 0.16 H new ATOM 0 HA VAL A 108 10.732 9.360 5.272 1.00 0.16 H new ATOM 0 HB VAL A 108 11.296 12.290 5.125 1.00 0.21 H new ATOM 0 HG11 VAL A 108 13.441 12.013 6.319 1.00 0.68 H new ATOM 0 HG12 VAL A 108 12.042 11.757 7.388 1.00 0.68 H new ATOM 0 HG13 VAL A 108 12.962 10.362 6.778 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.326 11.451 3.954 1.00 0.80 H new ATOM 0 HG22 VAL A 108 12.820 9.781 4.303 1.00 0.80 H new ATOM 0 HG23 VAL A 108 11.832 10.806 3.235 1.00 0.80 H new ATOM 1616 N GLY A 109 10.301 9.228 7.665 1.00 0.15 N ATOM 1617 CA GLY A 109 10.044 9.086 9.078 1.00 0.17 C ATOM 1618 C GLY A 109 8.658 8.558 9.370 1.00 0.18 C ATOM 1619 O GLY A 109 8.179 8.667 10.497 1.00 0.28 O ATOM 0 H GLY A 109 10.649 8.384 7.210 1.00 0.15 H new ATOM 0 HA2 GLY A 109 10.783 8.413 9.511 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.170 10.053 9.565 1.00 0.17 H new ATOM 1623 N GLU A 110 8.002 7.984 8.368 1.00 0.13 N ATOM 1624 CA GLU A 110 6.682 7.434 8.576 1.00 0.13 C ATOM 1625 C GLU A 110 6.726 5.921 8.627 1.00 0.10 C ATOM 1626 O GLU A 110 7.735 5.294 8.291 1.00 0.12 O ATOM 1627 CB GLU A 110 5.692 7.890 7.494 1.00 0.17 C ATOM 1628 CG GLU A 110 5.719 7.106 6.195 1.00 0.20 C ATOM 1629 CD GLU A 110 4.471 7.338 5.350 1.00 0.27 C ATOM 1630 OE1 GLU A 110 4.162 8.508 5.029 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.779 6.358 5.015 1.00 0.39 O ATOM 0 H GLU A 110 8.362 7.891 7.418 1.00 0.13 H new ATOM 0 HA GLU A 110 6.331 7.813 9.536 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.684 7.837 7.906 1.00 0.17 H new ATOM 0 HB3 GLU A 110 5.889 8.938 7.267 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.601 7.390 5.621 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.812 6.043 6.417 1.00 0.20 H new ATOM 1638 N THR A 111 5.629 5.343 9.062 1.00 0.10 N ATOM 1639 CA THR A 111 5.471 3.917 9.057 1.00 0.11 C ATOM 1640 C THR A 111 4.156 3.596 8.386 1.00 0.11 C ATOM 1641 O THR A 111 3.093 4.018 8.847 1.00 0.12 O ATOM 1642 CB THR A 111 5.506 3.334 10.483 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.626 3.878 11.191 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.622 1.815 10.446 1.00 0.19 C ATOM 0 H THR A 111 4.825 5.853 9.428 1.00 0.10 H new ATOM 0 HA THR A 111 6.300 3.464 8.512 1.00 0.11 H new ATOM 0 HB THR A 111 4.578 3.599 10.989 1.00 0.16 H new ATOM 0 HG1 THR A 111 6.649 3.510 12.099 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.645 1.427 11.464 1.00 0.19 H new ATOM 0 HG22 THR A 111 4.765 1.397 9.918 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.539 1.533 9.929 1.00 0.19 H new ATOM 1652 N ALA A 112 4.228 2.898 7.271 1.00 0.12 N ATOM 1653 CA ALA A 112 3.042 2.606 6.506 1.00 0.13 C ATOM 1654 C ALA A 112 2.813 1.119 6.420 1.00 0.12 C ATOM 1655 O ALA A 112 3.745 0.344 6.215 1.00 0.13 O ATOM 1656 CB ALA A 112 3.145 3.212 5.116 1.00 0.18 C ATOM 0 H ALA A 112 5.093 2.526 6.879 1.00 0.12 H new ATOM 0 HA ALA A 112 2.188 3.052 7.016 1.00 0.13 H new ATOM 0 HB1 ALA A 112 2.242 2.982 4.551 1.00 0.18 H new ATOM 0 HB2 ALA A 112 3.257 4.293 5.198 1.00 0.18 H new ATOM 0 HB3 ALA A 112 4.011 2.796 4.601 1.00 0.18 H new ATOM 1662 N MET A 113 1.573 0.725 6.594 1.00 0.12 N ATOM 1663 CA MET A 113 1.188 -0.647 6.378 1.00 0.12 C ATOM 1664 C MET A 113 0.586 -0.730 4.996 1.00 0.12 C ATOM 1665 O MET A 113 -0.420 -0.087 4.712 1.00 0.14 O ATOM 1666 CB MET A 113 0.184 -1.111 7.434 1.00 0.16 C ATOM 1667 CG MET A 113 -0.575 -2.370 7.037 1.00 0.25 C ATOM 1668 SD MET A 113 -1.708 -2.939 8.313 1.00 0.53 S ATOM 1669 CE MET A 113 -0.556 -3.773 9.404 1.00 1.32 C ATOM 0 H MET A 113 0.812 1.339 6.886 1.00 0.12 H new ATOM 0 HA MET A 113 2.056 -1.301 6.461 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.712 -1.294 8.370 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.530 -0.309 7.622 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.135 -2.177 6.122 1.00 0.25 H new ATOM 0 HG3 MET A 113 0.139 -3.163 6.813 1.00 0.25 H new ATOM 0 HE1 MET A 113 -0.812 -4.831 9.464 1.00 1.32 H new ATOM 0 HE2 MET A 113 0.456 -3.666 9.014 1.00 1.32 H new ATOM 0 HE3 MET A 113 -0.611 -3.330 10.398 1.00 1.32 H new ATOM 1679 N VAL A 114 1.212 -1.487 4.132 1.00 0.12 N ATOM 1680 CA VAL A 114 0.770 -1.568 2.759 1.00 0.12 C ATOM 1681 C VAL A 114 0.242 -2.949 2.468 1.00 0.13 C ATOM 1682 O VAL A 114 0.905 -3.947 2.747 1.00 0.16 O ATOM 1683 CB VAL A 114 1.926 -1.270 1.787 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.436 -1.060 0.361 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.723 -0.078 2.264 1.00 0.17 C ATOM 0 H VAL A 114 2.029 -2.057 4.352 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.016 -0.826 2.619 1.00 0.12 H new ATOM 0 HB VAL A 114 2.577 -2.145 1.775 1.00 0.15 H new ATOM 0 HG11 VAL A 114 2.286 -0.853 -0.289 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.926 -1.959 0.015 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.745 -0.218 0.334 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.536 0.119 1.566 1.00 0.17 H new ATOM 0 HG22 VAL A 114 2.073 0.795 2.320 1.00 0.17 H new ATOM 0 HG23 VAL A 114 3.135 -0.287 3.251 1.00 0.17 H new ATOM 1695 N THR A 115 -0.949 -3.023 1.923 1.00 0.14 N ATOM 1696 CA THR A 115 -1.442 -4.286 1.490 1.00 0.14 C ATOM 1697 C THR A 115 -1.423 -4.323 -0.011 1.00 0.13 C ATOM 1698 O THR A 115 -2.141 -3.587 -0.688 1.00 0.16 O ATOM 1699 CB THR A 115 -2.842 -4.596 2.027 1.00 0.17 C ATOM 1700 OG1 THR A 115 -2.827 -4.535 3.451 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.266 -5.978 1.603 1.00 0.20 C ATOM 0 H THR A 115 -1.577 -2.233 1.775 1.00 0.14 H new ATOM 0 HA THR A 115 -0.791 -5.061 1.894 1.00 0.14 H new ATOM 0 HB THR A 115 -3.543 -3.864 1.627 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.484 -3.876 3.757 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.263 -6.188 1.991 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.280 -6.036 0.515 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.562 -6.711 1.997 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.565 -5.167 -0.508 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.377 -5.344 -1.925 1.00 0.13 C ATOM 1711 C ALA A 116 -0.640 -6.781 -2.284 1.00 0.12 C ATOM 1712 O ALA A 116 -0.182 -7.688 -1.586 1.00 0.13 O ATOM 1713 CB ALA A 116 1.031 -4.960 -2.320 1.00 0.15 C ATOM 0 H ALA A 116 0.034 -5.761 0.065 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.073 -4.701 -2.463 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.158 -5.099 -3.394 1.00 0.15 H new ATOM 0 HB2 ALA A 116 1.208 -3.915 -2.066 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.743 -5.589 -1.786 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.393 -6.993 -3.346 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.570 -8.330 -3.869 1.00 0.13 C ATOM 1721 C ASP A 117 -0.207 -8.948 -4.088 1.00 0.11 C ATOM 1722 O ASP A 117 0.743 -8.246 -4.442 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.324 -8.310 -5.183 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.786 -9.695 -5.612 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -1.931 -10.513 -5.998 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -4.008 -9.965 -5.550 1.00 0.58 O ATOM 0 H ASP A 117 -1.887 -6.263 -3.858 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.149 -8.913 -3.153 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -3.190 -7.654 -5.091 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.685 -7.888 -5.958 1.00 0.16 H new ATOM 1731 N SER A 118 -0.111 -10.239 -3.873 1.00 0.13 N ATOM 1732 CA SER A 118 1.137 -10.958 -4.036 1.00 0.16 C ATOM 1733 C SER A 118 1.745 -10.674 -5.413 1.00 0.13 C ATOM 1734 O SER A 118 2.950 -10.730 -5.591 1.00 0.15 O ATOM 1735 CB SER A 118 0.878 -12.450 -3.858 1.00 0.27 C ATOM 1736 OG SER A 118 2.032 -13.132 -3.409 1.00 0.82 O ATOM 0 H SER A 118 -0.894 -10.823 -3.580 1.00 0.13 H new ATOM 0 HA SER A 118 1.850 -10.624 -3.283 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.068 -12.596 -3.143 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.548 -12.877 -4.805 1.00 0.27 H new ATOM 0 HG SER A 118 1.813 -14.073 -3.247 1.00 0.82 H new ATOM 1742 N LYS A 119 0.905 -10.344 -6.378 1.00 0.13 N ATOM 1743 CA LYS A 119 1.370 -9.970 -7.707 1.00 0.14 C ATOM 1744 C LYS A 119 2.398 -8.823 -7.656 1.00 0.14 C ATOM 1745 O LYS A 119 3.337 -8.800 -8.449 1.00 0.18 O ATOM 1746 CB LYS A 119 0.181 -9.576 -8.577 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.719 -8.546 -7.931 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.805 -8.067 -8.874 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.732 -9.194 -9.289 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.502 -8.847 -10.514 1.00 0.81 N ATOM 0 H LYS A 119 -0.109 -10.327 -6.267 1.00 0.13 H new ATOM 0 HA LYS A 119 1.871 -10.835 -8.142 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.548 -9.184 -9.525 1.00 0.17 H new ATOM 0 HB3 LYS A 119 -0.404 -10.467 -8.806 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -1.177 -8.973 -7.039 1.00 0.19 H new ATOM 0 HG3 LYS A 119 -0.120 -7.695 -7.606 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.384 -7.280 -8.391 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.348 -7.628 -9.761 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -2.149 -10.098 -9.469 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -3.422 -9.416 -8.475 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -4.125 -9.640 -10.769 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -4.077 -7.999 -10.334 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -2.843 -8.659 -11.297 1.00 0.81 H new ATOM 1764 N TYR A 120 2.233 -7.887 -6.717 1.00 0.13 N ATOM 1765 CA TYR A 120 3.198 -6.799 -6.545 1.00 0.15 C ATOM 1766 C TYR A 120 4.193 -7.144 -5.457 1.00 0.15 C ATOM 1767 O TYR A 120 5.068 -6.346 -5.119 1.00 0.19 O ATOM 1768 CB TYR A 120 2.500 -5.489 -6.184 1.00 0.16 C ATOM 1769 CG TYR A 120 1.511 -5.019 -7.207 1.00 0.20 C ATOM 1770 CD1 TYR A 120 0.182 -5.408 -7.146 1.00 0.23 C ATOM 1771 CD2 TYR A 120 1.910 -4.188 -8.237 1.00 0.28 C ATOM 1772 CE1 TYR A 120 -0.727 -4.969 -8.090 1.00 0.30 C ATOM 1773 CE2 TYR A 120 1.013 -3.747 -9.179 1.00 0.34 C ATOM 1774 CZ TYR A 120 -0.328 -4.161 -9.097 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.205 -3.695 -10.052 1.00 0.42 O ATOM 0 H TYR A 120 1.446 -7.861 -6.069 1.00 0.13 H new ATOM 0 HA TYR A 120 3.718 -6.671 -7.494 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.988 -5.614 -5.230 1.00 0.16 H new ATOM 0 HB3 TYR A 120 3.254 -4.715 -6.042 1.00 0.16 H new ATOM 0 HD1 TYR A 120 -0.147 -6.062 -6.352 1.00 0.23 H new ATOM 0 HD2 TYR A 120 2.943 -3.881 -8.302 1.00 0.28 H new ATOM 0 HE1 TYR A 120 -1.761 -5.273 -8.023 1.00 0.30 H new ATOM 0 HE2 TYR A 120 1.334 -3.090 -9.974 1.00 0.34 H new ATOM 0 HH TYR A 120 -2.093 -3.584 -9.654 1.00 0.42 H new ATOM 1785 N CYS A 121 4.041 -8.336 -4.918 1.00 0.14 N ATOM 1786 CA CYS A 121 4.897 -8.812 -3.853 1.00 0.15 C ATOM 1787 C CYS A 121 5.652 -10.058 -4.300 1.00 0.16 C ATOM 1788 O CYS A 121 6.727 -9.947 -4.880 1.00 0.18 O ATOM 1789 CB CYS A 121 4.072 -9.089 -2.601 1.00 0.14 C ATOM 1790 SG CYS A 121 3.183 -7.643 -1.985 1.00 0.16 S ATOM 0 H CYS A 121 3.322 -9.000 -5.205 1.00 0.14 H new ATOM 0 HA CYS A 121 5.630 -8.041 -3.614 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.355 -9.881 -2.817 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.731 -9.461 -1.817 1.00 0.14 H new ATOM 0 HG CYS A 121 1.914 -7.916 -1.904 1.00 0.16 H new ATOM 1796 N TYR A 122 5.091 -11.246 -4.057 1.00 0.16 N ATOM 1797 CA TYR A 122 5.750 -12.472 -4.485 1.00 0.18 C ATOM 1798 C TYR A 122 4.751 -13.544 -4.938 1.00 0.18 C ATOM 1799 O TYR A 122 4.943 -14.710 -4.634 1.00 0.20 O ATOM 1800 CB TYR A 122 6.612 -13.045 -3.354 1.00 0.19 C ATOM 1801 CG TYR A 122 7.414 -12.018 -2.577 1.00 0.20 C ATOM 1802 CD1 TYR A 122 8.640 -11.564 -3.049 1.00 0.21 C ATOM 1803 CD2 TYR A 122 6.937 -11.490 -1.383 1.00 0.19 C ATOM 1804 CE1 TYR A 122 9.367 -10.624 -2.354 1.00 0.23 C ATOM 1805 CE2 TYR A 122 7.657 -10.542 -0.686 1.00 0.20 C ATOM 1806 CZ TYR A 122 8.892 -10.160 -1.132 1.00 0.22 C ATOM 1807 OH TYR A 122 9.592 -9.163 -0.482 1.00 0.24 O ATOM 0 H TYR A 122 4.201 -11.379 -3.576 1.00 0.16 H new ATOM 0 HA TYR A 122 6.376 -12.205 -5.336 1.00 0.18 H new ATOM 0 HB2 TYR A 122 5.965 -13.580 -2.659 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.300 -13.777 -3.777 1.00 0.19 H new ATOM 0 HD1 TYR A 122 9.029 -11.956 -3.977 1.00 0.21 H new ATOM 0 HD2 TYR A 122 5.987 -11.827 -0.995 1.00 0.19 H new ATOM 0 HE1 TYR A 122 10.298 -10.250 -2.754 1.00 0.23 H new ATOM 0 HE2 TYR A 122 7.246 -10.102 0.211 1.00 0.20 H new ATOM 0 HH TYR A 122 9.560 -9.318 0.485 1.00 0.24 H new ATOM 1817 N GLY A 123 3.699 -13.158 -5.668 1.00 0.19 N ATOM 1818 CA GLY A 123 2.721 -14.130 -6.154 1.00 0.21 C ATOM 1819 C GLY A 123 3.334 -15.261 -6.962 1.00 0.21 C ATOM 1820 O GLY A 123 3.574 -16.342 -6.433 1.00 0.25 O ATOM 0 H GLY A 123 3.506 -12.192 -5.931 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.187 -14.552 -5.302 1.00 0.21 H new ATOM 0 HA3 GLY A 123 1.984 -13.614 -6.769 1.00 0.21 H new ATOM 1824 N PRO A 124 3.583 -15.050 -8.260 1.00 0.25 N ATOM 1825 CA PRO A 124 4.255 -16.036 -9.101 1.00 0.30 C ATOM 1826 C PRO A 124 5.761 -15.998 -8.888 1.00 0.30 C ATOM 1827 O PRO A 124 6.523 -16.630 -9.616 1.00 0.34 O ATOM 1828 CB PRO A 124 3.901 -15.601 -10.536 1.00 0.37 C ATOM 1829 CG PRO A 124 3.001 -14.412 -10.404 1.00 0.58 C ATOM 1830 CD PRO A 124 3.227 -13.856 -9.025 1.00 0.32 C ATOM 0 HA PRO A 124 3.944 -17.056 -8.877 1.00 0.30 H new ATOM 0 HB2 PRO A 124 4.800 -15.348 -11.099 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.404 -16.407 -11.075 1.00 0.37 H new ATOM 0 HG2 PRO A 124 3.230 -13.666 -11.165 1.00 0.58 H new ATOM 0 HG3 PRO A 124 1.958 -14.698 -10.541 1.00 0.58 H new ATOM 0 HD2 PRO A 124 4.024 -13.113 -9.012 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.334 -13.372 -8.631 1.00 0.32 H new ATOM 1838 N GLN A 125 6.180 -15.241 -7.884 1.00 0.27 N ATOM 1839 CA GLN A 125 7.588 -15.009 -7.637 1.00 0.30 C ATOM 1840 C GLN A 125 8.056 -15.835 -6.451 1.00 0.32 C ATOM 1841 O GLN A 125 9.029 -16.587 -6.531 1.00 0.39 O ATOM 1842 CB GLN A 125 7.807 -13.526 -7.360 1.00 0.30 C ATOM 1843 CG GLN A 125 7.226 -12.630 -8.440 1.00 0.33 C ATOM 1844 CD GLN A 125 7.245 -11.167 -8.050 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.228 -10.463 -8.276 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.145 -10.699 -7.477 1.00 0.29 N ATOM 0 H GLN A 125 5.556 -14.776 -7.225 1.00 0.27 H new ATOM 0 HA GLN A 125 8.164 -15.307 -8.513 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.356 -13.270 -6.401 1.00 0.30 H new ATOM 0 HB3 GLN A 125 8.876 -13.332 -7.271 1.00 0.30 H new ATOM 0 HG2 GLN A 125 7.791 -12.764 -9.362 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.200 -12.934 -8.647 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.354 -11.320 -7.309 1.00 0.29 H new ATOM 0 HE22 GLN A 125 6.090 -9.718 -7.204 1.00 0.29 H new ATOM 1855 N GLY A 126 7.312 -15.703 -5.362 1.00 0.27 N ATOM 1856 CA GLY A 126 7.681 -16.299 -4.109 1.00 0.27 C ATOM 1857 C GLY A 126 8.690 -15.463 -3.369 1.00 0.28 C ATOM 1858 O GLY A 126 9.559 -14.824 -3.967 1.00 0.30 O ATOM 0 H GLY A 126 6.438 -15.178 -5.334 1.00 0.27 H new ATOM 0 HA2 GLY A 126 6.792 -16.427 -3.491 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.092 -17.293 -4.286 1.00 0.27 H new ATOM 1862 N SER A 127 8.554 -15.444 -2.066 1.00 0.27 N ATOM 1863 CA SER A 127 9.394 -14.619 -1.233 1.00 0.28 C ATOM 1864 C SER A 127 10.642 -15.354 -0.746 1.00 0.32 C ATOM 1865 O SER A 127 10.684 -16.584 -0.713 1.00 0.33 O ATOM 1866 CB SER A 127 8.564 -14.088 -0.057 1.00 0.27 C ATOM 1867 OG SER A 127 9.375 -13.546 0.969 1.00 0.30 O ATOM 0 H SER A 127 7.864 -15.995 -1.556 1.00 0.27 H new ATOM 0 HA SER A 127 9.756 -13.784 -1.833 1.00 0.28 H new ATOM 0 HB2 SER A 127 7.876 -13.323 -0.416 1.00 0.27 H new ATOM 0 HB3 SER A 127 7.957 -14.896 0.351 1.00 0.27 H new ATOM 0 HG SER A 127 9.653 -12.639 0.722 1.00 0.30 H new ATOM 1873 N ARG A 128 11.665 -14.557 -0.405 1.00 0.38 N ATOM 1874 CA ARG A 128 12.958 -15.058 0.074 1.00 0.42 C ATOM 1875 C ARG A 128 12.798 -16.196 1.080 1.00 0.42 C ATOM 1876 O ARG A 128 13.233 -17.319 0.823 1.00 0.52 O ATOM 1877 CB ARG A 128 13.782 -13.914 0.694 1.00 0.52 C ATOM 1878 CG ARG A 128 12.961 -12.939 1.533 1.00 1.12 C ATOM 1879 CD ARG A 128 13.833 -11.898 2.224 1.00 1.41 C ATOM 1880 NE ARG A 128 14.536 -12.444 3.391 1.00 1.81 N ATOM 1881 CZ ARG A 128 14.951 -11.706 4.425 1.00 2.33 C ATOM 1882 NH1 ARG A 128 14.782 -10.387 4.420 1.00 2.45 N ATOM 1883 NH2 ARG A 128 15.546 -12.285 5.463 1.00 3.17 N ATOM 0 H ARG A 128 11.616 -13.539 -0.455 1.00 0.38 H new ATOM 0 HA ARG A 128 13.489 -15.457 -0.790 1.00 0.42 H new ATOM 0 HB2 ARG A 128 14.566 -14.342 1.318 1.00 0.52 H new ATOM 0 HB3 ARG A 128 14.276 -13.362 -0.105 1.00 0.52 H new ATOM 0 HG2 ARG A 128 12.234 -12.436 0.895 1.00 1.12 H new ATOM 0 HG3 ARG A 128 12.397 -13.493 2.283 1.00 1.12 H new ATOM 0 HD2 ARG A 128 14.562 -11.509 1.513 1.00 1.41 H new ATOM 0 HD3 ARG A 128 13.213 -11.058 2.537 1.00 1.41 H new ATOM 0 HE ARG A 128 14.719 -13.447 3.414 1.00 1.81 H new ATOM 0 HH11 ARG A 128 14.334 -9.933 3.624 1.00 2.45 H new ATOM 0 HH12 ARG A 128 15.101 -9.829 5.212 1.00 2.45 H new ATOM 0 HH21 ARG A 128 15.687 -13.295 5.472 1.00 3.17 H new ATOM 0 HH22 ARG A 128 15.862 -11.719 6.251 1.00 3.17 H new ATOM 1897 N SER A 129 12.180 -15.910 2.221 1.00 0.42 N ATOM 1898 CA SER A 129 11.955 -16.931 3.225 1.00 0.44 C ATOM 1899 C SER A 129 10.859 -17.901 2.766 1.00 0.41 C ATOM 1900 O SER A 129 11.148 -19.073 2.523 1.00 0.44 O ATOM 1901 CB SER A 129 11.627 -16.291 4.575 1.00 0.48 C ATOM 1902 OG SER A 129 12.616 -15.338 4.933 1.00 1.23 O ATOM 0 H SER A 129 11.830 -14.984 2.468 1.00 0.42 H new ATOM 0 HA SER A 129 12.869 -17.510 3.354 1.00 0.44 H new ATOM 0 HB2 SER A 129 10.651 -15.808 4.526 1.00 0.48 H new ATOM 0 HB3 SER A 129 11.564 -17.062 5.343 1.00 0.48 H new ATOM 0 HG SER A 129 12.387 -14.939 5.798 1.00 1.23 H new ATOM 1908 N PRO A 130 9.587 -17.464 2.630 1.00 0.37 N ATOM 1909 CA PRO A 130 8.531 -18.304 2.114 1.00 0.36 C ATOM 1910 C PRO A 130 8.139 -17.931 0.690 1.00 0.32 C ATOM 1911 O PRO A 130 7.866 -16.771 0.410 1.00 0.27 O ATOM 1912 CB PRO A 130 7.368 -17.956 3.056 1.00 0.37 C ATOM 1913 CG PRO A 130 7.742 -16.641 3.694 1.00 0.37 C ATOM 1914 CD PRO A 130 9.010 -16.182 3.021 1.00 0.37 C ATOM 0 HA PRO A 130 8.814 -19.356 2.079 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.430 -17.872 2.507 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.228 -18.731 3.809 1.00 0.37 H new ATOM 0 HG2 PRO A 130 6.947 -15.907 3.564 1.00 0.37 H new ATOM 0 HG3 PRO A 130 7.894 -16.760 4.767 1.00 0.37 H new ATOM 0 HD2 PRO A 130 8.814 -15.538 2.164 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.659 -15.625 3.697 1.00 0.37 H new ATOM 1922 N TYR A 131 8.115 -18.891 -0.213 1.00 0.33 N ATOM 1923 CA TYR A 131 7.448 -18.686 -1.485 1.00 0.32 C ATOM 1924 C TYR A 131 5.993 -18.315 -1.212 1.00 0.30 C ATOM 1925 O TYR A 131 5.168 -19.177 -0.915 1.00 0.32 O ATOM 1926 CB TYR A 131 7.532 -19.943 -2.366 1.00 0.36 C ATOM 1927 CG TYR A 131 6.805 -19.814 -3.698 1.00 0.45 C ATOM 1928 CD1 TYR A 131 5.442 -20.064 -3.798 1.00 0.78 C ATOM 1929 CD2 TYR A 131 7.490 -19.459 -4.858 1.00 1.00 C ATOM 1930 CE1 TYR A 131 4.785 -19.970 -5.012 1.00 0.87 C ATOM 1931 CE2 TYR A 131 6.838 -19.359 -6.072 1.00 1.14 C ATOM 1932 CZ TYR A 131 5.466 -19.536 -6.126 1.00 0.81 C ATOM 1933 OH TYR A 131 4.839 -19.533 -7.355 1.00 1.00 O ATOM 0 H TYR A 131 8.543 -19.809 -0.094 1.00 0.33 H new ATOM 0 HA TYR A 131 7.942 -17.880 -2.028 1.00 0.32 H new ATOM 0 HB2 TYR A 131 8.581 -20.172 -2.556 1.00 0.36 H new ATOM 0 HB3 TYR A 131 7.116 -20.788 -1.817 1.00 0.36 H new ATOM 0 HD1 TYR A 131 4.886 -20.336 -2.913 1.00 0.78 H new ATOM 0 HD2 TYR A 131 8.550 -19.258 -4.807 1.00 1.00 H new ATOM 0 HE1 TYR A 131 3.741 -20.236 -5.085 1.00 0.87 H new ATOM 0 HE2 TYR A 131 7.395 -19.144 -6.972 1.00 1.14 H new ATOM 0 HH TYR A 131 5.457 -19.197 -8.037 1.00 1.00 H new ATOM 1943 N ILE A 132 5.705 -17.023 -1.247 1.00 0.27 N ATOM 1944 CA ILE A 132 4.366 -16.540 -0.981 1.00 0.26 C ATOM 1945 C ILE A 132 3.425 -16.999 -2.092 1.00 0.25 C ATOM 1946 O ILE A 132 3.739 -16.842 -3.269 1.00 0.25 O ATOM 1947 CB ILE A 132 4.333 -14.999 -0.888 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.398 -14.459 0.066 1.00 0.39 C ATOM 1949 CG2 ILE A 132 2.963 -14.535 -0.444 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.397 -15.087 1.432 1.00 0.23 C ATOM 0 H ILE A 132 6.384 -16.292 -1.458 1.00 0.27 H new ATOM 0 HA ILE A 132 4.043 -16.949 -0.024 1.00 0.26 H new ATOM 0 HB ILE A 132 4.550 -14.607 -1.882 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.379 -14.607 -0.386 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.256 -13.384 0.176 1.00 0.39 H new ATOM 0 HG21 ILE A 132 2.950 -13.447 -0.381 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.215 -14.866 -1.165 1.00 0.26 H new ATOM 0 HG23 ILE A 132 2.735 -14.957 0.535 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.186 -14.641 2.038 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.432 -14.917 1.910 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.572 -16.159 1.340 1.00 0.23 H new ATOM 1962 N PRO A 133 2.277 -17.601 -1.736 1.00 0.27 N ATOM 1963 CA PRO A 133 1.287 -18.064 -2.719 1.00 0.28 C ATOM 1964 C PRO A 133 0.791 -16.935 -3.632 1.00 0.26 C ATOM 1965 O PRO A 133 0.666 -15.782 -3.202 1.00 0.26 O ATOM 1966 CB PRO A 133 0.135 -18.606 -1.857 1.00 0.34 C ATOM 1967 CG PRO A 133 0.378 -18.090 -0.478 1.00 0.61 C ATOM 1968 CD PRO A 133 1.860 -17.893 -0.354 1.00 0.31 C ATOM 0 HA PRO A 133 1.712 -18.807 -3.394 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.829 -18.268 -2.236 1.00 0.34 H new ATOM 0 HB3 PRO A 133 0.118 -19.696 -1.869 1.00 0.34 H new ATOM 0 HG2 PRO A 133 -0.153 -17.152 -0.315 1.00 0.61 H new ATOM 0 HG3 PRO A 133 0.016 -18.796 0.270 1.00 0.61 H new ATOM 0 HD2 PRO A 133 2.102 -17.073 0.322 1.00 0.31 H new ATOM 0 HD3 PRO A 133 2.353 -18.783 0.036 1.00 0.31 H new ATOM 1976 N PRO A 134 0.508 -17.254 -4.907 1.00 0.27 N ATOM 1977 CA PRO A 134 0.039 -16.273 -5.883 1.00 0.25 C ATOM 1978 C PRO A 134 -1.243 -15.574 -5.451 1.00 0.27 C ATOM 1979 O PRO A 134 -2.185 -16.207 -4.970 1.00 0.32 O ATOM 1980 CB PRO A 134 -0.203 -17.094 -7.151 1.00 0.29 C ATOM 1981 CG PRO A 134 0.637 -18.311 -6.978 1.00 0.52 C ATOM 1982 CD PRO A 134 0.644 -18.593 -5.502 1.00 0.33 C ATOM 0 HA PRO A 134 0.766 -15.471 -6.014 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -1.256 -17.352 -7.261 1.00 0.29 H new ATOM 0 HB3 PRO A 134 0.084 -16.538 -8.044 1.00 0.29 H new ATOM 0 HG2 PRO A 134 0.226 -19.153 -7.536 1.00 0.52 H new ATOM 0 HG3 PRO A 134 1.648 -18.145 -7.350 1.00 0.52 H new ATOM 0 HD2 PRO A 134 -0.178 -19.248 -5.213 1.00 0.33 H new ATOM 0 HD3 PRO A 134 1.567 -19.082 -5.189 1.00 0.33 H new ATOM 1990 N HIS A 135 -1.239 -14.255 -5.613 1.00 0.26 N ATOM 1991 CA HIS A 135 -2.403 -13.407 -5.317 1.00 0.31 C ATOM 1992 C HIS A 135 -2.734 -13.370 -3.828 1.00 0.32 C ATOM 1993 O HIS A 135 -3.790 -12.869 -3.442 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.649 -13.854 -6.094 1.00 0.41 C ATOM 1995 CG HIS A 135 -3.567 -13.639 -7.572 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -4.012 -14.569 -8.481 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -3.107 -12.596 -8.299 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -3.831 -14.113 -9.703 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -3.281 -12.914 -9.623 1.00 2.25 N ATOM 0 H HIS A 135 -0.429 -13.736 -5.954 1.00 0.26 H new ATOM 0 HA HIS A 135 -2.121 -12.404 -5.636 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.821 -14.913 -5.902 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -4.515 -13.316 -5.709 1.00 0.41 H new ATOM 0 HD2 HIS A 135 -2.682 -11.683 -7.910 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -4.088 -14.631 -10.615 1.00 2.38 H new ATOM 0 HE2 HIS A 135 -3.028 -12.323 -10.414 1.00 2.25 H new ATOM 2008 N ALA A 136 -1.847 -13.887 -2.993 1.00 0.24 N ATOM 2009 CA ALA A 136 -2.040 -13.774 -1.559 1.00 0.24 C ATOM 2010 C ALA A 136 -1.798 -12.331 -1.157 1.00 0.21 C ATOM 2011 O ALA A 136 -0.740 -11.778 -1.449 1.00 0.22 O ATOM 2012 CB ALA A 136 -1.111 -14.712 -0.801 1.00 0.26 C ATOM 0 H ALA A 136 -1.001 -14.380 -3.278 1.00 0.24 H new ATOM 0 HA ALA A 136 -3.059 -14.064 -1.305 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -1.280 -14.604 0.270 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -1.312 -15.741 -1.098 1.00 0.26 H new ATOM 0 HB3 ALA A 136 -0.075 -14.463 -1.032 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.765 -11.716 -0.505 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.662 -10.297 -0.216 1.00 0.19 C ATOM 2020 C ALA A 137 -1.654 -10.076 0.901 1.00 0.16 C ATOM 2021 O ALA A 137 -1.868 -10.480 2.044 1.00 0.20 O ATOM 2022 CB ALA A 137 -4.025 -9.715 0.138 1.00 0.22 C ATOM 0 H ALA A 137 -3.617 -12.165 -0.170 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.311 -9.775 -1.106 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.922 -8.651 0.350 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.708 -9.853 -0.700 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.421 -10.224 1.017 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.549 -9.451 0.553 1.00 0.13 N ATOM 2029 CA LEU A 138 0.539 -9.245 1.486 1.00 0.12 C ATOM 2030 C LEU A 138 0.355 -7.925 2.219 1.00 0.13 C ATOM 2031 O LEU A 138 0.103 -6.894 1.600 1.00 0.15 O ATOM 2032 CB LEU A 138 1.875 -9.261 0.743 1.00 0.13 C ATOM 2033 CG LEU A 138 2.899 -10.244 1.300 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.297 -11.631 1.392 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.146 -10.266 0.437 1.00 0.19 C ATOM 0 H LEU A 138 -0.380 -9.073 -0.379 1.00 0.13 H new ATOM 0 HA LEU A 138 0.537 -10.052 2.218 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.691 -9.503 -0.304 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.302 -8.258 0.768 1.00 0.13 H new ATOM 0 HG LEU A 138 3.182 -9.917 2.301 1.00 0.15 H new ATOM 0 HD11 LEU A 138 3.038 -12.324 1.791 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.430 -11.608 2.052 1.00 0.22 H new ATOM 0 HD13 LEU A 138 1.990 -11.961 0.400 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.863 -10.974 0.852 1.00 0.19 H new ATOM 0 HD22 LEU A 138 3.882 -10.569 -0.576 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.590 -9.271 0.414 1.00 0.19 H new ATOM 2047 N CYS A 139 0.485 -7.957 3.530 1.00 0.13 N ATOM 2048 CA CYS A 139 0.339 -6.761 4.328 1.00 0.14 C ATOM 2049 C CYS A 139 1.659 -6.468 5.017 1.00 0.13 C ATOM 2050 O CYS A 139 1.993 -7.073 6.031 1.00 0.14 O ATOM 2051 CB CYS A 139 -0.769 -6.963 5.356 1.00 0.18 C ATOM 2052 SG CYS A 139 -1.523 -5.438 5.954 1.00 1.20 S ATOM 0 H CYS A 139 0.692 -8.801 4.064 1.00 0.13 H new ATOM 0 HA CYS A 139 0.070 -5.916 3.694 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.545 -7.589 4.916 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -0.362 -7.510 6.207 1.00 0.18 H new ATOM 0 HG CYS A 139 -2.001 -4.767 4.948 1.00 1.20 H new ATOM 2058 N LEU A 140 2.408 -5.548 4.460 1.00 0.13 N ATOM 2059 CA LEU A 140 3.754 -5.288 4.926 1.00 0.14 C ATOM 2060 C LEU A 140 3.844 -3.937 5.609 1.00 0.13 C ATOM 2061 O LEU A 140 3.292 -2.952 5.134 1.00 0.12 O ATOM 2062 CB LEU A 140 4.735 -5.372 3.762 1.00 0.17 C ATOM 2063 CG LEU A 140 4.384 -4.507 2.564 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.292 -3.292 2.524 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.488 -5.308 1.277 1.00 0.32 C ATOM 0 H LEU A 140 2.109 -4.963 3.680 1.00 0.13 H new ATOM 0 HA LEU A 140 4.017 -6.048 5.662 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.725 -5.088 4.119 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.800 -6.410 3.435 1.00 0.17 H new ATOM 0 HG LEU A 140 3.353 -4.167 2.661 1.00 0.17 H new ATOM 0 HD11 LEU A 140 5.036 -2.675 1.663 1.00 0.26 H new ATOM 0 HD12 LEU A 140 5.163 -2.711 3.438 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.330 -3.616 2.443 1.00 0.26 H new ATOM 0 HD21 LEU A 140 4.233 -4.671 0.430 1.00 0.32 H new ATOM 0 HD22 LEU A 140 5.507 -5.677 1.159 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.799 -6.152 1.317 1.00 0.32 H new ATOM 2077 N GLU A 141 4.527 -3.905 6.733 1.00 0.14 N ATOM 2078 CA GLU A 141 4.674 -2.691 7.503 1.00 0.13 C ATOM 2079 C GLU A 141 6.076 -2.131 7.284 1.00 0.12 C ATOM 2080 O GLU A 141 7.061 -2.764 7.654 1.00 0.15 O ATOM 2081 CB GLU A 141 4.422 -3.020 8.974 1.00 0.18 C ATOM 2082 CG GLU A 141 4.568 -1.855 9.929 1.00 0.26 C ATOM 2083 CD GLU A 141 4.418 -2.304 11.368 1.00 0.30 C ATOM 2084 OE1 GLU A 141 3.313 -2.757 11.748 1.00 1.00 O ATOM 2085 OE2 GLU A 141 5.411 -2.246 12.111 1.00 1.05 O ATOM 0 H GLU A 141 4.994 -4.717 7.137 1.00 0.14 H new ATOM 0 HA GLU A 141 3.956 -1.934 7.188 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.415 -3.425 9.072 1.00 0.18 H new ATOM 0 HB3 GLU A 141 5.113 -3.807 9.277 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.543 -1.388 9.791 1.00 0.26 H new ATOM 0 HG3 GLU A 141 3.817 -1.098 9.701 1.00 0.26 H new ATOM 2092 N VAL A 142 6.165 -0.973 6.645 1.00 0.12 N ATOM 2093 CA VAL A 142 7.453 -0.399 6.304 1.00 0.12 C ATOM 2094 C VAL A 142 7.724 0.907 7.044 1.00 0.12 C ATOM 2095 O VAL A 142 6.956 1.867 6.962 1.00 0.15 O ATOM 2096 CB VAL A 142 7.606 -0.184 4.783 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.890 -1.510 4.095 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.363 0.472 4.190 1.00 0.19 C ATOM 0 H VAL A 142 5.361 -0.416 6.354 1.00 0.12 H new ATOM 0 HA VAL A 142 8.196 -1.128 6.626 1.00 0.12 H new ATOM 0 HB VAL A 142 8.447 0.489 4.616 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.996 -1.348 3.022 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.812 -1.935 4.491 1.00 0.19 H new ATOM 0 HG13 VAL A 142 7.065 -2.199 4.278 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.501 0.610 3.118 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.496 -0.166 4.365 1.00 0.19 H new ATOM 0 HG23 VAL A 142 6.202 1.441 4.663 1.00 0.19 H new ATOM 2108 N THR A 143 8.806 0.903 7.804 1.00 0.13 N ATOM 2109 CA THR A 143 9.324 2.103 8.449 1.00 0.13 C ATOM 2110 C THR A 143 10.345 2.785 7.546 1.00 0.12 C ATOM 2111 O THR A 143 11.413 2.231 7.292 1.00 0.15 O ATOM 2112 CB THR A 143 10.030 1.759 9.781 1.00 0.17 C ATOM 2113 OG1 THR A 143 9.258 0.795 10.510 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.220 3.007 10.634 1.00 0.22 C ATOM 0 H THR A 143 9.354 0.064 7.993 1.00 0.13 H new ATOM 0 HA THR A 143 8.476 2.761 8.640 1.00 0.13 H new ATOM 0 HB THR A 143 11.010 1.343 9.548 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.712 0.581 11.352 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.719 2.739 11.565 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.830 3.729 10.091 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.248 3.447 10.857 1.00 0.22 H new ATOM 2122 N LEU A 144 10.021 3.969 7.053 1.00 0.13 N ATOM 2123 CA LEU A 144 10.990 4.754 6.309 1.00 0.12 C ATOM 2124 C LEU A 144 11.833 5.542 7.284 1.00 0.12 C ATOM 2125 O LEU A 144 11.430 6.597 7.776 1.00 0.14 O ATOM 2126 CB LEU A 144 10.304 5.688 5.316 1.00 0.14 C ATOM 2127 CG LEU A 144 11.252 6.493 4.428 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.153 5.571 3.624 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.466 7.395 3.499 1.00 0.13 C ATOM 0 H LEU A 144 9.104 4.404 7.153 1.00 0.13 H new ATOM 0 HA LEU A 144 11.625 4.080 5.733 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.647 5.097 4.678 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.671 6.382 5.870 1.00 0.14 H new ATOM 0 HG LEU A 144 11.878 7.110 5.072 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.819 6.167 3.000 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.745 4.957 4.303 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.543 4.926 2.992 1.00 0.15 H new ATOM 0 HD21 LEU A 144 11.155 7.962 2.873 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.816 6.789 2.867 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.860 8.084 4.087 1.00 0.13 H new ATOM 2141 N LYS A 145 12.997 5.007 7.573 1.00 0.14 N ATOM 2142 CA LYS A 145 13.833 5.544 8.622 1.00 0.17 C ATOM 2143 C LYS A 145 14.846 6.524 8.052 1.00 0.16 C ATOM 2144 O LYS A 145 15.289 7.448 8.742 1.00 0.21 O ATOM 2145 CB LYS A 145 14.551 4.403 9.336 1.00 0.26 C ATOM 2146 CG LYS A 145 13.653 3.210 9.627 1.00 0.40 C ATOM 2147 CD LYS A 145 14.440 2.047 10.209 1.00 0.60 C ATOM 2148 CE LYS A 145 15.502 1.566 9.236 1.00 0.38 C ATOM 2149 NZ LYS A 145 16.466 0.634 9.883 1.00 1.08 N ATOM 0 H LYS A 145 13.388 4.196 7.094 1.00 0.14 H new ATOM 0 HA LYS A 145 13.205 6.079 9.334 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.392 4.075 8.725 1.00 0.26 H new ATOM 0 HB3 LYS A 145 14.964 4.774 10.274 1.00 0.26 H new ATOM 0 HG2 LYS A 145 12.869 3.505 10.325 1.00 0.40 H new ATOM 0 HG3 LYS A 145 13.159 2.893 8.709 1.00 0.40 H new ATOM 0 HD2 LYS A 145 14.910 2.353 11.144 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.762 1.227 10.447 1.00 0.60 H new ATOM 0 HE2 LYS A 145 15.023 1.066 8.394 1.00 0.38 H new ATOM 0 HE3 LYS A 145 16.041 2.424 8.833 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 17.359 0.632 9.349 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 16.647 0.944 10.859 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 16.067 -0.326 9.893 1.00 1.08 H new ATOM 2163 N THR A 146 15.224 6.316 6.798 1.00 0.16 N ATOM 2164 CA THR A 146 16.219 7.160 6.155 1.00 0.19 C ATOM 2165 C THR A 146 16.042 7.185 4.640 1.00 0.17 C ATOM 2166 O THR A 146 15.620 6.194 4.044 1.00 0.16 O ATOM 2167 CB THR A 146 17.643 6.657 6.459 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.812 6.472 7.872 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.698 7.629 5.949 1.00 0.37 C ATOM 0 H THR A 146 14.856 5.570 6.207 1.00 0.16 H new ATOM 0 HA THR A 146 16.079 8.165 6.554 1.00 0.19 H new ATOM 0 HB THR A 146 17.772 5.705 5.944 1.00 0.25 H new ATOM 0 HG1 THR A 146 18.720 6.151 8.054 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.691 7.243 6.180 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.596 7.744 4.870 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.564 8.597 6.431 1.00 0.37 H new ATOM 2177 N ALA A 147 16.365 8.314 4.030 1.00 0.20 N ATOM 2178 CA ALA A 147 16.410 8.416 2.582 1.00 0.19 C ATOM 2179 C ALA A 147 17.633 9.214 2.160 1.00 0.22 C ATOM 2180 O ALA A 147 17.845 10.323 2.655 1.00 0.25 O ATOM 2181 CB ALA A 147 15.142 9.071 2.059 1.00 0.21 C ATOM 0 H ALA A 147 16.601 9.177 4.520 1.00 0.20 H new ATOM 0 HA ALA A 147 16.479 7.414 2.158 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.190 9.141 0.972 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.278 8.472 2.346 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.047 10.071 2.483 1.00 0.21 H new ATOM 2187 N VAL A 148 18.440 8.664 1.252 1.00 0.24 N ATOM 2188 CA VAL A 148 19.664 9.345 0.833 1.00 0.31 C ATOM 2189 C VAL A 148 19.871 9.215 -0.668 1.00 0.34 C ATOM 2190 O VAL A 148 19.585 8.178 -1.255 1.00 0.36 O ATOM 2191 CB VAL A 148 20.915 8.809 1.573 1.00 0.42 C ATOM 2192 CG1 VAL A 148 20.753 8.973 3.076 1.00 0.92 C ATOM 2193 CG2 VAL A 148 21.188 7.352 1.229 1.00 0.75 C ATOM 0 H VAL A 148 18.273 7.765 0.800 1.00 0.24 H new ATOM 0 HA VAL A 148 19.539 10.396 1.094 1.00 0.31 H new ATOM 0 HB VAL A 148 21.771 9.396 1.241 1.00 0.42 H new ATOM 0 HG11 VAL A 148 21.640 8.592 3.581 1.00 0.92 H new ATOM 0 HG12 VAL A 148 20.625 10.029 3.315 1.00 0.92 H new ATOM 0 HG13 VAL A 148 19.878 8.416 3.410 1.00 0.92 H new ATOM 0 HG21 VAL A 148 22.073 7.011 1.767 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.331 6.743 1.517 1.00 0.75 H new ATOM 0 HG23 VAL A 148 21.356 7.257 0.156 1.00 0.75 H new