USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=29 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= 0.822 K(o=0.47,f=-0.68) USER MOD Set 1.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 127 SER OG : rot 180:sc= -0.356 USER MOD Set 2.1: A 113 MET CE :methyl -177:sc= 0 (180deg=-0.00989) USER MOD Set 2.2: A 115 THR OG1 : rot 120:sc= 1.37 USER MOD Set 2.3: A 139 CYS SG : rot 70:sc= 0.606 USER MOD Set 3.1: A 93 CYS SG : rot -112:sc= 1.39 USER MOD Set 3.2: A 97 GLN : amide:sc= -1.15! K(o=0.23!,f=1.6) USER MOD Set 4.1: A 69 HIS : no HE2:sc= -8.68! C(o=-16!,f=-15!) USER MOD Set 4.2: A 71 GLN : amide:sc= -6.91! K(o=-16!,f=-10) USER MOD Set 5.1: A 67 THR OG1 : rot 45:sc= -0.782 USER MOD Set 5.2: A 146 THR OG1 : rot 180:sc= -0.384 USER MOD Set 6.1: A 42 ASN : amide:sc= -5.38! C(o=-5.2!,f=-4.1!) USER MOD Set 6.2: A 120 TYR OH : rot 40:sc= 0.135 USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= -0.831! (180deg=-1.07!) USER MOD Single : A 48 LYS NZ :NH3+ 149:sc= 0.0113 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 50:sc= 0.112 USER MOD Single : A 57 SER OG : rot 72:sc= 1.22 USER MOD Single : A 58 SER OG : rot 180:sc=-1.87e-05 USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= -0.94 (180deg=-1.51!) USER MOD Single : A 64 GLN : amide:sc= -7.87! K(o=-7.9!,f=-1.4) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0773 USER MOD Single : A 73 SER OG : rot 180:sc= -0.858! USER MOD Single : A 76 ASN : amide:sc= -0.0663 X(o=-0.066,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -130:sc= -0.535 USER MOD Single : A 106 MET CE :methyl 177:sc= -5.41! (180deg=-5.47!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= -0.174 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 CYS SG : rot 123:sc= -2.02 USER MOD Single : A 125 GLN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -149:sc= 1.19 (180deg=-0.993!) USER MOD ----------------------------------------------------------------- ATOM 489 N TRP A 36 -7.620 1.967 1.909 1.00 0.53 N ATOM 490 CA TRP A 36 -6.680 3.084 1.861 1.00 0.45 C ATOM 491 C TRP A 36 -6.425 3.534 0.424 1.00 0.46 C ATOM 492 O TRP A 36 -7.101 3.100 -0.510 1.00 0.52 O ATOM 493 CB TRP A 36 -5.341 2.696 2.505 1.00 0.38 C ATOM 494 CG TRP A 36 -5.457 1.637 3.560 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.383 1.573 4.566 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.606 0.498 3.729 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.177 0.446 5.319 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.090 -0.225 4.833 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.488 0.006 3.046 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.490 -1.402 5.274 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -2.903 -1.157 3.489 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.401 -1.850 4.585 1.00 0.19 C ATOM 0 HA TRP A 36 -7.130 3.906 2.417 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -4.663 2.346 1.727 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -4.890 3.585 2.945 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.160 2.302 4.741 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.744 0.155 6.115 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.092 0.529 2.188 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.872 -1.940 6.129 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -2.036 -1.541 2.972 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.916 -2.763 4.898 1.00 0.19 H new ATOM 513 N LEU A 37 -5.426 4.391 0.264 1.00 0.43 N ATOM 514 CA LEU A 37 -5.045 4.909 -1.041 1.00 0.42 C ATOM 515 C LEU A 37 -4.424 3.811 -1.883 1.00 0.37 C ATOM 516 O LEU A 37 -3.348 3.308 -1.552 1.00 0.35 O ATOM 517 CB LEU A 37 -4.031 6.039 -0.875 1.00 0.45 C ATOM 518 CG LEU A 37 -3.547 6.692 -2.175 1.00 0.46 C ATOM 519 CD1 LEU A 37 -4.680 7.440 -2.852 1.00 0.49 C ATOM 520 CD2 LEU A 37 -2.377 7.624 -1.900 1.00 0.50 C ATOM 0 H LEU A 37 -4.859 4.746 1.034 1.00 0.43 H new ATOM 0 HA LEU A 37 -5.940 5.284 -1.538 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -4.474 6.811 -0.245 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -3.164 5.650 -0.341 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.208 5.905 -2.849 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -4.316 7.896 -3.773 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.486 6.745 -3.086 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.053 8.217 -2.185 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.047 8.079 -2.834 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -2.689 8.405 -1.207 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -1.556 7.057 -1.462 1.00 0.50 H new ATOM 532 N ASP A 38 -5.107 3.420 -2.952 1.00 0.38 N ATOM 533 CA ASP A 38 -4.547 2.430 -3.854 1.00 0.41 C ATOM 534 C ASP A 38 -3.490 3.065 -4.726 1.00 0.39 C ATOM 535 O ASP A 38 -3.739 4.042 -5.430 1.00 0.44 O ATOM 536 CB ASP A 38 -5.602 1.745 -4.718 1.00 0.56 C ATOM 537 CG ASP A 38 -5.085 0.424 -5.254 1.00 1.78 C ATOM 538 OD1 ASP A 38 -4.490 0.413 -6.340 1.00 2.14 O ATOM 539 OD2 ASP A 38 -5.269 -0.614 -4.592 1.00 2.51 O ATOM 0 H ASP A 38 -6.031 3.767 -3.210 1.00 0.38 H new ATOM 0 HA ASP A 38 -4.099 1.654 -3.234 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.505 1.576 -4.131 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -5.878 2.396 -5.547 1.00 0.56 H new ATOM 544 N ILE A 39 -2.307 2.493 -4.664 1.00 0.38 N ATOM 545 CA ILE A 39 -1.151 2.991 -5.371 1.00 0.38 C ATOM 546 C ILE A 39 -1.364 2.906 -6.877 1.00 0.39 C ATOM 547 O ILE A 39 -0.834 3.720 -7.638 1.00 0.46 O ATOM 548 CB ILE A 39 0.105 2.192 -4.971 1.00 0.39 C ATOM 549 CG1 ILE A 39 0.191 2.087 -3.438 1.00 0.40 C ATOM 550 CG2 ILE A 39 1.359 2.829 -5.547 1.00 0.41 C ATOM 551 CD1 ILE A 39 1.548 1.660 -2.919 1.00 0.43 C ATOM 0 H ILE A 39 -2.120 1.656 -4.112 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.008 4.037 -5.099 1.00 0.38 H new ATOM 0 HB ILE A 39 0.029 1.186 -5.385 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.063 3.054 -3.004 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -0.558 1.375 -3.091 1.00 0.40 H new ATOM 0 HG21 ILE A 39 2.232 2.247 -5.251 1.00 0.41 H new ATOM 0 HG22 ILE A 39 1.289 2.851 -6.635 1.00 0.41 H new ATOM 0 HG23 ILE A 39 1.456 3.847 -5.169 1.00 0.41 H new ATOM 0 HD11 ILE A 39 1.522 1.611 -1.830 1.00 0.43 H new ATOM 0 HD12 ILE A 39 1.799 0.678 -3.321 1.00 0.43 H new ATOM 0 HD13 ILE A 39 2.301 2.383 -3.232 1.00 0.43 H new ATOM 563 N LEU A 40 -2.149 1.919 -7.303 1.00 0.39 N ATOM 564 CA LEU A 40 -2.466 1.751 -8.720 1.00 0.49 C ATOM 565 C LEU A 40 -3.882 2.223 -8.996 1.00 0.49 C ATOM 566 O LEU A 40 -4.308 2.317 -10.149 1.00 0.62 O ATOM 567 CB LEU A 40 -2.338 0.283 -9.159 1.00 0.56 C ATOM 568 CG LEU A 40 -0.928 -0.330 -9.168 1.00 0.59 C ATOM 569 CD1 LEU A 40 -0.660 -0.990 -10.510 1.00 0.62 C ATOM 570 CD2 LEU A 40 0.141 0.701 -8.870 1.00 0.72 C ATOM 0 H LEU A 40 -2.576 1.225 -6.690 1.00 0.39 H new ATOM 0 HA LEU A 40 -1.752 2.348 -9.287 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -2.964 -0.321 -8.503 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -2.751 0.194 -10.164 1.00 0.56 H new ATOM 0 HG LEU A 40 -0.887 -1.079 -8.377 1.00 0.59 H new ATOM 0 HD11 LEU A 40 0.341 -1.422 -10.510 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -1.395 -1.776 -10.682 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -0.733 -0.245 -11.303 1.00 0.62 H new ATOM 0 HD21 LEU A 40 1.121 0.224 -8.887 1.00 0.72 H new ATOM 0 HD22 LEU A 40 0.108 1.488 -9.623 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.035 1.134 -7.885 1.00 0.72 H new ATOM 582 N GLY A 41 -4.598 2.516 -7.922 1.00 0.43 N ATOM 583 CA GLY A 41 -6.008 2.827 -8.011 1.00 0.51 C ATOM 584 C GLY A 41 -6.811 1.645 -8.522 1.00 0.45 C ATOM 585 O GLY A 41 -7.888 1.812 -9.093 1.00 0.52 O ATOM 0 H GLY A 41 -4.219 2.544 -6.975 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -6.379 3.122 -7.029 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -6.152 3.679 -8.675 1.00 0.51 H new ATOM 589 N ASN A 42 -6.282 0.443 -8.313 1.00 0.39 N ATOM 590 CA ASN A 42 -6.933 -0.765 -8.807 1.00 0.42 C ATOM 591 C ASN A 42 -7.617 -1.552 -7.694 1.00 0.43 C ATOM 592 O ASN A 42 -8.581 -2.275 -7.946 1.00 0.56 O ATOM 593 CB ASN A 42 -5.960 -1.658 -9.596 1.00 0.49 C ATOM 594 CG ASN A 42 -4.943 -2.452 -8.775 1.00 0.55 C ATOM 595 OD1 ASN A 42 -4.599 -3.569 -9.153 1.00 0.95 O ATOM 596 ND2 ASN A 42 -4.436 -1.908 -7.682 1.00 0.44 N ATOM 0 H ASN A 42 -5.411 0.280 -7.809 1.00 0.39 H new ATOM 0 HA ASN A 42 -7.712 -0.434 -9.494 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -6.546 -2.362 -10.186 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -5.414 -1.029 -10.299 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -3.744 -2.417 -7.133 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -4.737 -0.979 -7.388 1.00 0.44 H new ATOM 603 N GLY A 43 -7.125 -1.422 -6.471 1.00 0.40 N ATOM 604 CA GLY A 43 -7.796 -2.040 -5.342 1.00 0.50 C ATOM 605 C GLY A 43 -7.006 -3.192 -4.760 1.00 0.45 C ATOM 606 O GLY A 43 -7.484 -3.906 -3.881 1.00 0.72 O ATOM 0 H GLY A 43 -6.278 -0.903 -6.239 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -7.964 -1.291 -4.568 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -8.776 -2.398 -5.657 1.00 0.50 H new ATOM 610 N LEU A 44 -5.786 -3.364 -5.245 1.00 0.29 N ATOM 611 CA LEU A 44 -4.949 -4.479 -4.825 1.00 0.36 C ATOM 612 C LEU A 44 -3.785 -3.985 -3.980 1.00 0.25 C ATOM 613 O LEU A 44 -3.311 -4.674 -3.081 1.00 0.27 O ATOM 614 CB LEU A 44 -4.399 -5.233 -6.050 1.00 0.60 C ATOM 615 CG LEU A 44 -5.388 -6.142 -6.794 1.00 0.51 C ATOM 616 CD1 LEU A 44 -6.526 -5.354 -7.423 1.00 1.46 C ATOM 617 CD2 LEU A 44 -4.664 -6.958 -7.852 1.00 1.56 C ATOM 0 H LEU A 44 -5.352 -2.745 -5.930 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.565 -5.155 -4.231 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -4.011 -4.499 -6.757 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -3.554 -5.841 -5.726 1.00 0.60 H new ATOM 0 HG LEU A 44 -5.826 -6.817 -6.058 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -7.201 -6.038 -7.938 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -7.073 -4.822 -6.645 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -6.121 -4.637 -8.137 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -5.379 -7.597 -8.371 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -4.191 -6.287 -8.569 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -3.902 -7.576 -7.377 1.00 1.56 H new ATOM 629 N LEU A 45 -3.328 -2.793 -4.301 1.00 0.23 N ATOM 630 CA LEU A 45 -2.107 -2.246 -3.738 1.00 0.22 C ATOM 631 C LEU A 45 -2.363 -0.909 -3.032 1.00 0.22 C ATOM 632 O LEU A 45 -2.516 0.109 -3.684 1.00 0.32 O ATOM 633 CB LEU A 45 -1.107 -2.099 -4.880 1.00 0.30 C ATOM 634 CG LEU A 45 0.119 -1.237 -4.607 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.901 -1.753 -3.417 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.996 -1.207 -5.838 1.00 0.31 C ATOM 0 H LEU A 45 -3.794 -2.172 -4.963 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.709 -2.914 -2.974 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -0.767 -3.095 -5.165 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -1.631 -1.683 -5.740 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.213 -0.226 -4.370 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.769 -1.116 -3.249 1.00 0.28 H new ATOM 0 HD12 LEU A 45 0.266 -1.742 -2.531 1.00 0.28 H new ATOM 0 HD13 LEU A 45 1.232 -2.773 -3.613 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.874 -0.591 -5.644 1.00 0.31 H new ATOM 0 HD22 LEU A 45 1.312 -2.221 -6.085 1.00 0.31 H new ATOM 0 HD23 LEU A 45 0.436 -0.788 -6.674 1.00 0.31 H new ATOM 648 N ARG A 46 -2.392 -0.904 -1.702 1.00 0.20 N ATOM 649 CA ARG A 46 -2.741 0.310 -0.948 1.00 0.22 C ATOM 650 C ARG A 46 -1.793 0.556 0.216 1.00 0.19 C ATOM 651 O ARG A 46 -1.355 -0.388 0.859 1.00 0.19 O ATOM 652 CB ARG A 46 -4.164 0.189 -0.417 1.00 0.25 C ATOM 653 CG ARG A 46 -5.200 0.183 -1.514 1.00 0.36 C ATOM 654 CD ARG A 46 -6.583 -0.169 -0.994 1.00 0.37 C ATOM 655 NE ARG A 46 -6.622 -1.498 -0.382 1.00 0.54 N ATOM 656 CZ ARG A 46 -7.740 -2.136 -0.041 1.00 0.75 C ATOM 657 NH1 ARG A 46 -8.930 -1.595 -0.293 1.00 1.14 N ATOM 658 NH2 ARG A 46 -7.665 -3.324 0.548 1.00 0.99 N ATOM 0 H ARG A 46 -2.181 -1.716 -1.123 1.00 0.20 H new ATOM 0 HA ARG A 46 -2.657 1.155 -1.632 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.253 -0.728 0.165 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.365 1.018 0.262 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.231 1.164 -1.988 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -4.909 -0.533 -2.282 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -6.894 0.576 -0.261 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.299 -0.128 -1.815 1.00 0.37 H new ATOM 0 HE ARG A 46 -5.734 -1.967 -0.205 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -8.990 -0.685 -0.750 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -9.782 -2.090 -0.029 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.754 -3.743 0.737 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -8.518 -3.817 0.811 1.00 0.99 H new ATOM 672 N LYS A 47 -1.510 1.825 0.503 1.00 0.20 N ATOM 673 CA LYS A 47 -0.635 2.187 1.621 1.00 0.17 C ATOM 674 C LYS A 47 -1.420 2.963 2.678 1.00 0.18 C ATOM 675 O LYS A 47 -2.107 3.931 2.358 1.00 0.22 O ATOM 676 CB LYS A 47 0.539 3.047 1.143 1.00 0.23 C ATOM 677 CG LYS A 47 1.650 3.164 2.172 1.00 0.25 C ATOM 678 CD LYS A 47 2.343 4.516 2.150 1.00 0.32 C ATOM 679 CE LYS A 47 1.416 5.640 2.580 1.00 0.20 C ATOM 680 NZ LYS A 47 2.170 6.882 2.903 1.00 0.35 N ATOM 0 H LYS A 47 -1.873 2.621 -0.022 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.248 1.264 2.052 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.945 2.620 0.226 1.00 0.23 H new ATOM 0 HB3 LYS A 47 0.174 4.044 0.896 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.237 2.990 3.166 1.00 0.25 H new ATOM 0 HG3 LYS A 47 2.387 2.382 1.992 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.210 4.489 2.810 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.714 4.717 1.145 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.700 5.846 1.784 1.00 0.20 H new ATOM 0 HE3 LYS A 47 0.842 5.325 3.452 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.501 7.646 3.127 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 2.787 6.711 3.723 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 2.750 7.158 2.085 1.00 0.35 H new ATOM 694 N LYS A 48 -1.319 2.530 3.929 1.00 0.16 N ATOM 695 CA LYS A 48 -1.966 3.218 5.039 1.00 0.18 C ATOM 696 C LYS A 48 -0.940 3.873 5.950 1.00 0.17 C ATOM 697 O LYS A 48 -0.083 3.201 6.522 1.00 0.22 O ATOM 698 CB LYS A 48 -2.811 2.245 5.863 1.00 0.25 C ATOM 699 CG LYS A 48 -3.564 2.908 7.009 1.00 0.32 C ATOM 700 CD LYS A 48 -4.430 1.913 7.774 1.00 0.69 C ATOM 701 CE LYS A 48 -3.603 0.811 8.419 1.00 0.52 C ATOM 702 NZ LYS A 48 -4.417 -0.044 9.327 1.00 1.07 N ATOM 0 H LYS A 48 -0.792 1.700 4.201 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.609 3.987 4.612 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.528 1.753 5.205 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.163 1.467 6.267 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -2.851 3.369 7.693 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.192 3.708 6.616 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -4.993 2.440 8.544 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -5.157 1.469 7.094 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -3.157 0.191 7.641 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -2.782 1.256 8.981 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -4.034 -1.011 9.329 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -4.383 0.343 10.292 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -5.403 -0.062 8.996 1.00 1.07 H new ATOM 716 N THR A 49 -1.041 5.183 6.079 1.00 0.18 N ATOM 717 CA THR A 49 -0.193 5.940 6.980 1.00 0.20 C ATOM 718 C THR A 49 -0.579 5.714 8.440 1.00 0.21 C ATOM 719 O THR A 49 -1.560 6.284 8.930 1.00 0.29 O ATOM 720 CB THR A 49 -0.283 7.444 6.663 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.648 7.800 6.402 1.00 0.33 O ATOM 722 CG2 THR A 49 0.577 7.805 5.468 1.00 0.25 C ATOM 0 H THR A 49 -1.712 5.751 5.563 1.00 0.18 H new ATOM 0 HA THR A 49 0.829 5.590 6.833 1.00 0.20 H new ATOM 0 HB THR A 49 0.085 7.998 7.526 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.219 7.455 7.120 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.493 8.873 5.269 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.617 7.556 5.680 1.00 0.25 H new ATOM 0 HG23 THR A 49 0.241 7.245 4.595 1.00 0.25 H new ATOM 730 N LEU A 50 0.180 4.868 9.128 1.00 0.18 N ATOM 731 CA LEU A 50 0.030 4.715 10.565 1.00 0.21 C ATOM 732 C LEU A 50 0.494 6.010 11.196 1.00 0.23 C ATOM 733 O LEU A 50 -0.192 6.634 12.003 1.00 0.28 O ATOM 734 CB LEU A 50 0.898 3.563 11.068 1.00 0.21 C ATOM 735 CG LEU A 50 0.888 2.313 10.190 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.019 1.389 10.593 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.450 1.600 10.288 1.00 0.24 C ATOM 0 H LEU A 50 0.903 4.280 8.712 1.00 0.18 H new ATOM 0 HA LEU A 50 -1.006 4.496 10.822 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.925 3.916 11.159 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.565 3.288 12.069 1.00 0.21 H new ATOM 0 HG LEU A 50 1.034 2.612 9.152 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.005 0.500 9.962 1.00 0.21 H new ATOM 0 HD12 LEU A 50 2.971 1.905 10.472 1.00 0.21 H new ATOM 0 HD13 LEU A 50 1.896 1.096 11.636 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.437 0.712 9.655 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.631 1.306 11.322 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -1.244 2.269 9.957 1.00 0.24 H new ATOM 749 N VAL A 51 1.684 6.385 10.779 1.00 0.23 N ATOM 750 CA VAL A 51 2.260 7.683 11.037 1.00 0.27 C ATOM 751 C VAL A 51 2.885 8.125 9.746 1.00 0.24 C ATOM 752 O VAL A 51 3.575 7.331 9.130 1.00 0.23 O ATOM 753 CB VAL A 51 3.372 7.626 12.092 1.00 0.30 C ATOM 754 CG1 VAL A 51 3.970 9.004 12.335 1.00 0.36 C ATOM 755 CG2 VAL A 51 2.847 7.035 13.382 1.00 0.36 C ATOM 0 H VAL A 51 2.294 5.775 10.235 1.00 0.23 H new ATOM 0 HA VAL A 51 1.484 8.354 11.404 1.00 0.27 H new ATOM 0 HB VAL A 51 4.165 6.981 11.713 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.755 8.932 13.087 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.392 9.387 11.406 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.192 9.682 12.686 1.00 0.36 H new ATOM 0 HG21 VAL A 51 3.649 7.002 14.120 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.032 7.652 13.760 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.482 6.025 13.197 1.00 0.36 H new ATOM 765 N PRO A 52 2.616 9.340 9.283 1.00 0.29 N ATOM 766 CA PRO A 52 3.201 9.861 8.068 1.00 0.32 C ATOM 767 C PRO A 52 4.312 10.876 8.316 1.00 0.34 C ATOM 768 O PRO A 52 4.270 12.003 7.816 1.00 0.54 O ATOM 769 CB PRO A 52 1.981 10.494 7.442 1.00 0.41 C ATOM 770 CG PRO A 52 1.189 11.040 8.599 1.00 0.46 C ATOM 771 CD PRO A 52 1.651 10.295 9.833 1.00 0.37 C ATOM 0 HA PRO A 52 3.703 9.110 7.458 1.00 0.32 H new ATOM 0 HB2 PRO A 52 2.260 11.285 6.746 1.00 0.41 H new ATOM 0 HB3 PRO A 52 1.402 9.763 6.878 1.00 0.41 H new ATOM 0 HG2 PRO A 52 1.354 12.112 8.710 1.00 0.46 H new ATOM 0 HG3 PRO A 52 0.120 10.897 8.438 1.00 0.46 H new ATOM 0 HD2 PRO A 52 2.111 10.963 10.562 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.825 9.793 10.337 1.00 0.37 H new ATOM 779 N GLY A 53 5.317 10.452 9.074 1.00 0.24 N ATOM 780 CA GLY A 53 6.461 11.293 9.343 1.00 0.28 C ATOM 781 C GLY A 53 6.158 12.385 10.344 1.00 0.29 C ATOM 782 O GLY A 53 5.018 12.529 10.787 1.00 0.55 O ATOM 0 H GLY A 53 5.356 9.530 9.510 1.00 0.24 H new ATOM 0 HA2 GLY A 53 7.279 10.678 9.718 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.803 11.744 8.411 1.00 0.28 H new ATOM 821 N SER A 57 7.870 16.635 6.990 1.00 0.52 N ATOM 822 CA SER A 57 8.766 15.632 6.457 1.00 0.40 C ATOM 823 C SER A 57 8.948 15.812 4.953 1.00 0.34 C ATOM 824 O SER A 57 8.538 16.826 4.381 1.00 0.43 O ATOM 825 CB SER A 57 8.186 14.260 6.768 1.00 0.40 C ATOM 826 OG SER A 57 6.771 14.308 6.748 1.00 0.99 O ATOM 0 HA SER A 57 9.749 15.733 6.918 1.00 0.40 H new ATOM 0 HB2 SER A 57 8.542 13.533 6.038 1.00 0.40 H new ATOM 0 HB3 SER A 57 8.531 13.925 7.746 1.00 0.40 H new ATOM 0 HG SER A 57 6.460 14.400 5.823 1.00 0.99 H new ATOM 832 N SER A 58 9.557 14.825 4.315 1.00 0.28 N ATOM 833 CA SER A 58 9.806 14.878 2.885 1.00 0.30 C ATOM 834 C SER A 58 9.699 13.482 2.293 1.00 0.27 C ATOM 835 O SER A 58 10.170 12.517 2.888 1.00 0.38 O ATOM 836 CB SER A 58 11.202 15.455 2.616 1.00 0.38 C ATOM 837 OG SER A 58 11.380 16.710 3.261 1.00 1.28 O ATOM 0 H SER A 58 9.889 13.974 4.769 1.00 0.28 H new ATOM 0 HA SER A 58 9.062 15.523 2.417 1.00 0.30 H new ATOM 0 HB2 SER A 58 11.960 14.754 2.966 1.00 0.38 H new ATOM 0 HB3 SER A 58 11.348 15.573 1.542 1.00 0.38 H new ATOM 0 HG SER A 58 12.279 17.050 3.072 1.00 1.28 H new ATOM 843 N ARG A 59 9.070 13.365 1.136 1.00 0.32 N ATOM 844 CA ARG A 59 8.961 12.078 0.466 1.00 0.30 C ATOM 845 C ARG A 59 10.121 11.906 -0.501 1.00 0.27 C ATOM 846 O ARG A 59 10.273 12.693 -1.441 1.00 0.34 O ATOM 847 CB ARG A 59 7.618 11.972 -0.263 1.00 0.42 C ATOM 848 CG ARG A 59 6.437 12.256 0.647 1.00 0.64 C ATOM 849 CD ARG A 59 5.099 12.035 -0.040 1.00 0.68 C ATOM 850 NE ARG A 59 3.992 12.251 0.892 1.00 1.41 N ATOM 851 CZ ARG A 59 2.754 12.580 0.536 1.00 1.81 C ATOM 852 NH1 ARG A 59 2.448 12.756 -0.742 1.00 1.78 N ATOM 853 NH2 ARG A 59 1.825 12.748 1.470 1.00 2.81 N ATOM 0 H ARG A 59 8.629 14.141 0.642 1.00 0.32 H new ATOM 0 HA ARG A 59 9.005 11.280 1.207 1.00 0.30 H new ATOM 0 HB2 ARG A 59 7.606 12.673 -1.098 1.00 0.42 H new ATOM 0 HB3 ARG A 59 7.515 10.972 -0.684 1.00 0.42 H new ATOM 0 HG2 ARG A 59 6.499 11.615 1.526 1.00 0.64 H new ATOM 0 HG3 ARG A 59 6.494 13.286 0.999 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.004 12.714 -0.887 1.00 0.68 H new ATOM 0 HD3 ARG A 59 5.053 11.021 -0.437 1.00 0.68 H new ATOM 0 HE ARG A 59 4.184 12.141 1.888 1.00 1.41 H new ATOM 0 HH11 ARG A 59 3.164 12.639 -1.459 1.00 1.78 H new ATOM 0 HH12 ARG A 59 1.496 13.008 -1.008 1.00 1.78 H new ATOM 0 HH21 ARG A 59 2.063 12.625 2.454 1.00 2.81 H new ATOM 0 HH22 ARG A 59 0.873 13.000 1.203 1.00 2.81 H new ATOM 867 N PRO A 60 10.983 10.903 -0.244 1.00 0.23 N ATOM 868 CA PRO A 60 12.161 10.612 -1.073 1.00 0.26 C ATOM 869 C PRO A 60 11.828 10.466 -2.551 1.00 0.26 C ATOM 870 O PRO A 60 10.704 10.120 -2.918 1.00 0.28 O ATOM 871 CB PRO A 60 12.686 9.275 -0.526 1.00 0.30 C ATOM 872 CG PRO A 60 11.623 8.768 0.391 1.00 0.28 C ATOM 873 CD PRO A 60 10.896 9.978 0.896 1.00 0.21 C ATOM 0 HA PRO A 60 12.882 11.428 -1.019 1.00 0.26 H new ATOM 0 HB2 PRO A 60 12.875 8.569 -1.334 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.628 9.412 0.005 1.00 0.30 H new ATOM 0 HG2 PRO A 60 10.944 8.096 -0.134 1.00 0.28 H new ATOM 0 HG3 PRO A 60 12.057 8.202 1.215 1.00 0.28 H new ATOM 0 HD2 PRO A 60 9.862 9.751 1.156 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.366 10.390 1.789 1.00 0.21 H new ATOM 881 N VAL A 61 12.818 10.708 -3.398 1.00 0.29 N ATOM 882 CA VAL A 61 12.615 10.637 -4.835 1.00 0.31 C ATOM 883 C VAL A 61 13.278 9.387 -5.391 1.00 0.28 C ATOM 884 O VAL A 61 14.207 8.845 -4.794 1.00 0.27 O ATOM 885 CB VAL A 61 13.145 11.910 -5.546 1.00 0.40 C ATOM 886 CG1 VAL A 61 14.589 12.200 -5.163 1.00 0.81 C ATOM 887 CG2 VAL A 61 13.004 11.820 -7.061 1.00 0.88 C ATOM 0 H VAL A 61 13.766 10.954 -3.115 1.00 0.29 H new ATOM 0 HA VAL A 61 11.544 10.582 -5.028 1.00 0.31 H new ATOM 0 HB VAL A 61 12.526 12.739 -5.204 1.00 0.40 H new ATOM 0 HG11 VAL A 61 14.929 13.098 -5.679 1.00 0.81 H new ATOM 0 HG12 VAL A 61 14.656 12.353 -4.086 1.00 0.81 H new ATOM 0 HG13 VAL A 61 15.218 11.357 -5.450 1.00 0.81 H new ATOM 0 HG21 VAL A 61 13.388 12.733 -7.517 1.00 0.88 H new ATOM 0 HG22 VAL A 61 13.571 10.965 -7.429 1.00 0.88 H new ATOM 0 HG23 VAL A 61 11.953 11.698 -7.322 1.00 0.88 H new ATOM 897 N LYS A 62 12.770 8.913 -6.508 1.00 0.27 N ATOM 898 CA LYS A 62 13.336 7.745 -7.159 1.00 0.27 C ATOM 899 C LYS A 62 14.752 8.048 -7.601 1.00 0.25 C ATOM 900 O LYS A 62 15.010 9.013 -8.321 1.00 0.31 O ATOM 901 CB LYS A 62 12.463 7.306 -8.338 1.00 0.30 C ATOM 902 CG LYS A 62 11.119 6.739 -7.907 1.00 0.37 C ATOM 903 CD LYS A 62 10.311 6.227 -9.090 1.00 0.41 C ATOM 904 CE LYS A 62 9.164 5.335 -8.637 1.00 0.60 C ATOM 905 NZ LYS A 62 8.193 6.066 -7.790 1.00 1.17 N ATOM 0 H LYS A 62 11.965 9.317 -6.987 1.00 0.27 H new ATOM 0 HA LYS A 62 13.364 6.917 -6.451 1.00 0.27 H new ATOM 0 HB2 LYS A 62 12.297 8.159 -8.996 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.998 6.555 -8.919 1.00 0.30 H new ATOM 0 HG2 LYS A 62 11.279 5.927 -7.198 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.551 7.509 -7.386 1.00 0.37 H new ATOM 0 HD2 LYS A 62 9.916 7.071 -9.655 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.963 5.670 -9.763 1.00 0.41 H new ATOM 0 HE2 LYS A 62 8.652 4.932 -9.511 1.00 0.60 H new ATOM 0 HE3 LYS A 62 9.563 4.486 -8.081 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 7.624 5.385 -7.248 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 8.705 6.689 -7.134 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 7.568 6.638 -8.393 1.00 1.17 H new ATOM 919 N GLY A 63 15.663 7.223 -7.136 1.00 0.25 N ATOM 920 CA GLY A 63 17.057 7.499 -7.300 1.00 0.27 C ATOM 921 C GLY A 63 17.727 7.650 -5.961 1.00 0.30 C ATOM 922 O GLY A 63 18.951 7.743 -5.862 1.00 0.42 O ATOM 0 H GLY A 63 15.455 6.356 -6.641 1.00 0.25 H new ATOM 0 HA2 GLY A 63 17.530 6.692 -7.861 1.00 0.27 H new ATOM 0 HA3 GLY A 63 17.187 8.411 -7.883 1.00 0.27 H new ATOM 926 N GLN A 64 16.933 7.709 -4.905 1.00 0.26 N ATOM 927 CA GLN A 64 17.501 7.733 -3.573 1.00 0.28 C ATOM 928 C GLN A 64 17.554 6.323 -3.014 1.00 0.24 C ATOM 929 O GLN A 64 16.609 5.548 -3.173 1.00 0.24 O ATOM 930 CB GLN A 64 16.717 8.636 -2.612 1.00 0.30 C ATOM 931 CG GLN A 64 16.350 10.032 -3.129 1.00 0.36 C ATOM 932 CD GLN A 64 17.497 10.851 -3.719 1.00 0.44 C ATOM 933 OE1 GLN A 64 17.549 12.067 -3.537 1.00 0.59 O ATOM 934 NE2 GLN A 64 18.377 10.232 -4.487 1.00 0.43 N ATOM 0 H GLN A 64 15.914 7.741 -4.943 1.00 0.26 H new ATOM 0 HA GLN A 64 18.506 8.146 -3.660 1.00 0.28 H new ATOM 0 HB2 GLN A 64 15.796 8.122 -2.336 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.303 8.753 -1.700 1.00 0.30 H new ATOM 0 HG2 GLN A 64 15.578 9.924 -3.891 1.00 0.36 H new ATOM 0 HG3 GLN A 64 15.911 10.598 -2.308 1.00 0.36 H new ATOM 0 HE21 GLN A 64 18.314 9.223 -4.623 1.00 0.43 H new ATOM 0 HE22 GLN A 64 19.119 10.763 -4.943 1.00 0.43 H new ATOM 943 N VAL A 65 18.672 5.987 -2.392 1.00 0.28 N ATOM 944 CA VAL A 65 18.786 4.742 -1.668 1.00 0.31 C ATOM 945 C VAL A 65 18.188 4.935 -0.280 1.00 0.25 C ATOM 946 O VAL A 65 18.658 5.747 0.521 1.00 0.32 O ATOM 947 CB VAL A 65 20.250 4.242 -1.586 1.00 0.49 C ATOM 948 CG1 VAL A 65 21.180 5.312 -1.029 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.337 2.966 -0.757 1.00 1.05 C ATOM 0 H VAL A 65 19.513 6.564 -2.377 1.00 0.28 H new ATOM 0 HA VAL A 65 18.236 3.969 -2.205 1.00 0.31 H new ATOM 0 HB VAL A 65 20.579 4.019 -2.601 1.00 0.49 H new ATOM 0 HG11 VAL A 65 22.198 4.924 -0.987 1.00 1.22 H new ATOM 0 HG12 VAL A 65 21.153 6.190 -1.675 1.00 1.22 H new ATOM 0 HG13 VAL A 65 20.856 5.590 -0.026 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.373 2.631 -0.712 1.00 1.05 H new ATOM 0 HG22 VAL A 65 19.975 3.162 0.252 1.00 1.05 H new ATOM 0 HG23 VAL A 65 19.725 2.190 -1.218 1.00 1.05 H new ATOM 959 N VAL A 66 17.120 4.216 -0.017 1.00 0.19 N ATOM 960 CA VAL A 66 16.330 4.438 1.180 1.00 0.15 C ATOM 961 C VAL A 66 16.331 3.211 2.072 1.00 0.16 C ATOM 962 O VAL A 66 16.439 2.084 1.587 1.00 0.21 O ATOM 963 CB VAL A 66 14.877 4.824 0.824 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.822 6.208 0.202 1.00 0.18 C ATOM 965 CG2 VAL A 66 14.281 3.817 -0.135 1.00 0.25 C ATOM 0 H VAL A 66 16.775 3.468 -0.618 1.00 0.19 H new ATOM 0 HA VAL A 66 16.789 5.265 1.722 1.00 0.15 H new ATOM 0 HB VAL A 66 14.298 4.828 1.747 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.789 6.457 -0.040 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.216 6.940 0.907 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.421 6.222 -0.708 1.00 0.18 H new ATOM 0 HG21 VAL A 66 13.257 4.105 -0.375 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.874 3.790 -1.049 1.00 0.25 H new ATOM 0 HG23 VAL A 66 14.282 2.830 0.327 1.00 0.25 H new ATOM 975 N THR A 67 16.238 3.440 3.376 1.00 0.13 N ATOM 976 CA THR A 67 16.169 2.356 4.338 1.00 0.15 C ATOM 977 C THR A 67 14.727 2.101 4.733 1.00 0.16 C ATOM 978 O THR A 67 14.083 2.958 5.348 1.00 0.21 O ATOM 979 CB THR A 67 16.965 2.650 5.631 1.00 0.20 C ATOM 980 OG1 THR A 67 16.485 3.840 6.266 1.00 0.29 O ATOM 981 CG2 THR A 67 18.447 2.803 5.368 1.00 0.27 C ATOM 0 H THR A 67 16.209 4.372 3.789 1.00 0.13 H new ATOM 0 HA THR A 67 16.608 1.487 3.848 1.00 0.15 H new ATOM 0 HB THR A 67 16.815 1.792 6.286 1.00 0.20 H new ATOM 0 HG1 THR A 67 15.505 3.835 6.272 1.00 0.29 H new ATOM 0 HG21 THR A 67 18.964 3.008 6.306 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.836 1.882 4.933 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.610 3.629 4.675 1.00 0.27 H new ATOM 989 N VAL A 68 14.199 0.947 4.376 1.00 0.15 N ATOM 990 CA VAL A 68 12.892 0.580 4.862 1.00 0.15 C ATOM 991 C VAL A 68 12.986 -0.575 5.832 1.00 0.15 C ATOM 992 O VAL A 68 13.770 -1.493 5.648 1.00 0.17 O ATOM 993 CB VAL A 68 11.884 0.217 3.747 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.566 1.431 2.894 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.407 -0.916 2.881 1.00 0.19 C ATOM 0 H VAL A 68 14.646 0.263 3.765 1.00 0.15 H new ATOM 0 HA VAL A 68 12.513 1.472 5.361 1.00 0.15 H new ATOM 0 HB VAL A 68 10.965 -0.120 4.227 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.855 1.153 2.116 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.133 2.212 3.519 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.482 1.802 2.433 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.677 -1.149 2.106 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.346 -0.615 2.416 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.575 -1.798 3.499 1.00 0.19 H new ATOM 1005 N HIS A 69 12.198 -0.513 6.871 1.00 0.14 N ATOM 1006 CA HIS A 69 12.022 -1.655 7.735 1.00 0.15 C ATOM 1007 C HIS A 69 10.689 -2.276 7.377 1.00 0.14 C ATOM 1008 O HIS A 69 9.660 -1.658 7.587 1.00 0.15 O ATOM 1009 CB HIS A 69 12.031 -1.256 9.228 1.00 0.15 C ATOM 1010 CG HIS A 69 11.734 -2.418 10.148 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.333 -2.639 11.367 1.00 0.19 N ATOM 1012 CD2 HIS A 69 10.883 -3.448 9.983 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.844 -3.762 11.888 1.00 0.18 C ATOM 1014 NE2 HIS A 69 10.971 -4.259 11.069 1.00 0.18 N ATOM 0 H HIS A 69 11.667 0.314 7.142 1.00 0.14 H new ATOM 0 HA HIS A 69 12.846 -2.354 7.592 1.00 0.15 H new ATOM 0 HB2 HIS A 69 13.005 -0.838 9.481 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.294 -0.470 9.394 1.00 0.15 H new ATOM 0 HD1 HIS A 69 13.036 -2.041 11.800 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.239 -3.603 9.130 1.00 0.18 H new ATOM 0 HE1 HIS A 69 12.128 -4.189 12.838 1.00 0.18 H new ATOM 1023 N LEU A 70 10.690 -3.492 6.865 1.00 0.15 N ATOM 1024 CA LEU A 70 9.429 -4.118 6.552 1.00 0.16 C ATOM 1025 C LEU A 70 9.285 -5.456 7.242 1.00 0.15 C ATOM 1026 O LEU A 70 10.174 -6.297 7.223 1.00 0.21 O ATOM 1027 CB LEU A 70 9.182 -4.251 5.047 1.00 0.21 C ATOM 1028 CG LEU A 70 9.410 -5.624 4.422 1.00 0.31 C ATOM 1029 CD1 LEU A 70 8.640 -5.723 3.113 1.00 0.39 C ATOM 1030 CD2 LEU A 70 10.884 -5.867 4.164 1.00 0.38 C ATOM 0 H LEU A 70 11.522 -4.047 6.664 1.00 0.15 H new ATOM 0 HA LEU A 70 8.660 -3.449 6.938 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.152 -3.955 4.846 1.00 0.21 H new ATOM 0 HB3 LEU A 70 9.825 -3.535 4.535 1.00 0.21 H new ATOM 0 HG LEU A 70 9.054 -6.382 5.120 1.00 0.31 H new ATOM 0 HD11 LEU A 70 8.804 -6.704 2.668 1.00 0.39 H new ATOM 0 HD12 LEU A 70 7.576 -5.585 3.305 1.00 0.39 H new ATOM 0 HD13 LEU A 70 8.988 -4.951 2.427 1.00 0.39 H new ATOM 0 HD21 LEU A 70 11.018 -6.853 3.718 1.00 0.38 H new ATOM 0 HD22 LEU A 70 11.264 -5.106 3.483 1.00 0.38 H new ATOM 0 HD23 LEU A 70 11.431 -5.817 5.105 1.00 0.38 H new ATOM 1042 N GLN A 71 8.170 -5.611 7.898 1.00 0.13 N ATOM 1043 CA GLN A 71 7.756 -6.892 8.427 1.00 0.14 C ATOM 1044 C GLN A 71 6.430 -7.180 7.807 1.00 0.14 C ATOM 1045 O GLN A 71 5.449 -6.462 8.022 1.00 0.14 O ATOM 1046 CB GLN A 71 7.612 -6.900 9.939 1.00 0.15 C ATOM 1047 CG GLN A 71 8.496 -5.913 10.658 1.00 0.15 C ATOM 1048 CD GLN A 71 7.821 -4.580 10.883 1.00 0.16 C ATOM 1049 OE1 GLN A 71 8.144 -3.867 11.828 1.00 0.27 O ATOM 1050 NE2 GLN A 71 6.861 -4.251 10.043 1.00 0.18 N ATOM 0 H GLN A 71 7.515 -4.852 8.085 1.00 0.13 H new ATOM 0 HA GLN A 71 8.514 -7.639 8.194 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.573 -6.690 10.193 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.834 -7.902 10.307 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.794 -6.332 11.619 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.408 -5.761 10.081 1.00 0.15 H new ATOM 0 HE21 GLN A 71 6.624 -4.873 9.270 1.00 0.18 H new ATOM 0 HE22 GLN A 71 6.355 -3.374 10.165 1.00 0.18 H new ATOM 1059 N THR A 72 6.414 -8.201 7.021 1.00 0.15 N ATOM 1060 CA THR A 72 5.308 -8.457 6.163 1.00 0.16 C ATOM 1061 C THR A 72 4.436 -9.568 6.698 1.00 0.16 C ATOM 1062 O THR A 72 4.917 -10.652 7.024 1.00 0.17 O ATOM 1063 CB THR A 72 5.826 -8.830 4.783 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.682 -7.797 4.290 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.690 -9.052 3.828 1.00 0.19 C ATOM 0 H THR A 72 7.169 -8.884 6.955 1.00 0.15 H new ATOM 0 HA THR A 72 4.699 -7.555 6.107 1.00 0.16 H new ATOM 0 HB THR A 72 6.391 -9.759 4.866 1.00 0.17 H new ATOM 0 HG1 THR A 72 7.014 -8.044 3.402 1.00 0.19 H new ATOM 0 HG21 THR A 72 5.085 -9.318 2.848 1.00 0.19 H new ATOM 0 HG22 THR A 72 4.058 -9.861 4.196 1.00 0.19 H new ATOM 0 HG23 THR A 72 4.100 -8.139 3.746 1.00 0.19 H new ATOM 1073 N SER A 73 3.158 -9.284 6.777 1.00 0.17 N ATOM 1074 CA SER A 73 2.189 -10.257 7.187 1.00 0.17 C ATOM 1075 C SER A 73 1.446 -10.753 5.965 1.00 0.15 C ATOM 1076 O SER A 73 1.398 -10.089 4.928 1.00 0.26 O ATOM 1077 CB SER A 73 1.179 -9.637 8.162 1.00 0.23 C ATOM 1078 OG SER A 73 1.795 -8.744 9.081 1.00 1.06 O ATOM 0 H SER A 73 2.766 -8.368 6.557 1.00 0.17 H new ATOM 0 HA SER A 73 2.703 -11.079 7.685 1.00 0.17 H new ATOM 0 HB2 SER A 73 0.413 -9.104 7.598 1.00 0.23 H new ATOM 0 HB3 SER A 73 0.675 -10.431 8.713 1.00 0.23 H new ATOM 0 HG SER A 73 1.115 -8.372 9.681 1.00 1.06 H new ATOM 1084 N LEU A 74 0.896 -11.928 6.089 1.00 0.19 N ATOM 1085 CA LEU A 74 0.042 -12.487 5.078 1.00 0.18 C ATOM 1086 C LEU A 74 -1.364 -11.961 5.260 1.00 0.19 C ATOM 1087 O LEU A 74 -1.680 -11.389 6.304 1.00 0.21 O ATOM 1088 CB LEU A 74 0.066 -14.006 5.176 1.00 0.22 C ATOM 1089 CG LEU A 74 1.397 -14.646 4.798 1.00 0.38 C ATOM 1090 CD1 LEU A 74 1.215 -16.123 4.487 1.00 0.84 C ATOM 1091 CD2 LEU A 74 2.029 -13.912 3.623 1.00 0.72 C ATOM 0 H LEU A 74 1.029 -12.530 6.901 1.00 0.19 H new ATOM 0 HA LEU A 74 0.398 -12.197 4.089 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -0.184 -14.295 6.197 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.713 -14.411 4.530 1.00 0.22 H new ATOM 0 HG LEU A 74 2.073 -14.565 5.650 1.00 0.38 H new ATOM 0 HD11 LEU A 74 2.177 -16.560 4.220 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.816 -16.633 5.364 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.521 -16.237 3.654 1.00 0.84 H new ATOM 0 HD21 LEU A 74 2.978 -14.383 3.368 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.359 -13.956 2.764 1.00 0.72 H new ATOM 0 HD23 LEU A 74 2.202 -12.871 3.895 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.196 -12.137 4.250 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.612 -11.799 4.351 1.00 0.26 C ATOM 1105 C GLU A 75 -4.255 -12.534 5.528 1.00 0.32 C ATOM 1106 O GLU A 75 -5.291 -12.126 6.047 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.336 -12.164 3.055 1.00 0.30 C ATOM 1108 CG GLU A 75 -4.119 -13.606 2.616 1.00 0.34 C ATOM 1109 CD GLU A 75 -4.904 -13.959 1.373 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -4.531 -13.485 0.278 1.00 0.82 O ATOM 1111 OE2 GLU A 75 -5.897 -14.698 1.487 1.00 1.14 O ATOM 0 H GLU A 75 -1.918 -12.514 3.344 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.698 -10.725 4.517 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.404 -11.990 3.185 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -3.999 -11.497 2.261 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -3.058 -13.769 2.430 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.407 -14.276 3.426 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.614 -13.623 5.938 1.00 0.34 N ATOM 1119 CA ASN A 76 -4.089 -14.438 7.044 1.00 0.41 C ATOM 1120 C ASN A 76 -3.527 -13.938 8.373 1.00 0.39 C ATOM 1121 O ASN A 76 -3.881 -14.442 9.435 1.00 0.51 O ATOM 1122 CB ASN A 76 -3.693 -15.902 6.830 1.00 0.50 C ATOM 1123 CG ASN A 76 -4.153 -16.439 5.485 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -5.284 -16.901 5.345 1.00 2.14 O ATOM 1125 ND2 ASN A 76 -3.274 -16.406 4.489 1.00 1.13 N ATOM 0 H ASN A 76 -2.752 -13.963 5.512 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.176 -14.361 7.079 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -2.610 -15.996 6.904 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -4.121 -16.511 7.626 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -3.529 -16.772 3.572 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -2.344 -16.015 4.642 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.641 -12.946 8.305 1.00 0.30 N ATOM 1133 CA GLY A 77 -2.088 -12.353 9.511 1.00 0.32 C ATOM 1134 C GLY A 77 -0.699 -12.868 9.838 1.00 0.32 C ATOM 1135 O GLY A 77 -0.038 -12.366 10.746 1.00 0.51 O ATOM 0 H GLY A 77 -2.296 -12.542 7.434 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -2.050 -11.270 9.393 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.753 -12.559 10.349 1.00 0.32 H new ATOM 1139 N THR A 78 -0.249 -13.854 9.082 1.00 0.28 N ATOM 1140 CA THR A 78 1.024 -14.501 9.349 1.00 0.28 C ATOM 1141 C THR A 78 2.193 -13.695 8.802 1.00 0.23 C ATOM 1142 O THR A 78 2.340 -13.543 7.594 1.00 0.21 O ATOM 1143 CB THR A 78 1.048 -15.918 8.747 1.00 0.34 C ATOM 1144 OG1 THR A 78 -0.125 -16.640 9.156 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.300 -16.672 9.174 1.00 0.39 C ATOM 0 H THR A 78 -0.749 -14.226 8.274 1.00 0.28 H new ATOM 0 HA THR A 78 1.131 -14.565 10.432 1.00 0.28 H new ATOM 0 HB THR A 78 1.059 -15.830 7.661 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.106 -17.540 8.769 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.291 -17.670 8.735 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.184 -16.133 8.833 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.322 -16.754 10.261 1.00 0.39 H new ATOM 1153 N ARG A 79 3.017 -13.164 9.697 1.00 0.24 N ATOM 1154 CA ARG A 79 4.208 -12.436 9.289 1.00 0.22 C ATOM 1155 C ARG A 79 5.281 -13.388 8.815 1.00 0.24 C ATOM 1156 O ARG A 79 5.709 -14.284 9.538 1.00 0.33 O ATOM 1157 CB ARG A 79 4.715 -11.538 10.401 1.00 0.25 C ATOM 1158 CG ARG A 79 3.838 -10.320 10.561 1.00 0.25 C ATOM 1159 CD ARG A 79 4.652 -9.106 10.960 1.00 0.28 C ATOM 1160 NE ARG A 79 3.917 -7.855 10.746 1.00 0.33 N ATOM 1161 CZ ARG A 79 4.225 -6.693 11.331 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.190 -6.643 12.235 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.551 -5.589 11.032 1.00 0.47 N ATOM 0 H ARG A 79 2.882 -13.224 10.706 1.00 0.24 H new ATOM 0 HA ARG A 79 3.938 -11.792 8.452 1.00 0.22 H new ATOM 0 HB2 ARG A 79 4.743 -12.095 11.338 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.737 -11.228 10.184 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.316 -10.119 9.625 1.00 0.25 H new ATOM 0 HG3 ARG A 79 3.076 -10.514 11.316 1.00 0.25 H new ATOM 0 HD2 ARG A 79 4.932 -9.187 12.010 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.577 -9.085 10.385 1.00 0.28 H new ATOM 0 HE ARG A 79 3.120 -7.873 10.110 1.00 0.33 H new ATOM 0 HH11 ARG A 79 5.699 -7.491 12.485 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.425 -5.757 12.681 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.792 -5.623 10.352 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.792 -4.706 11.483 1.00 0.47 H new ATOM 1177 N VAL A 80 5.702 -13.174 7.590 1.00 0.20 N ATOM 1178 CA VAL A 80 6.548 -14.117 6.893 1.00 0.22 C ATOM 1179 C VAL A 80 7.973 -13.610 6.751 1.00 0.21 C ATOM 1180 O VAL A 80 8.866 -14.352 6.342 1.00 0.27 O ATOM 1181 CB VAL A 80 5.971 -14.399 5.501 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.622 -15.076 5.627 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.853 -13.117 4.689 1.00 0.22 C ATOM 0 H VAL A 80 5.468 -12.342 7.048 1.00 0.20 H new ATOM 0 HA VAL A 80 6.575 -15.032 7.485 1.00 0.22 H new ATOM 0 HB VAL A 80 6.653 -15.066 4.974 1.00 0.23 H new ATOM 0 HG11 VAL A 80 4.219 -15.273 4.633 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.736 -16.017 6.165 1.00 0.26 H new ATOM 0 HG13 VAL A 80 3.938 -14.426 6.173 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.441 -13.346 3.706 1.00 0.22 H new ATOM 0 HG22 VAL A 80 5.194 -12.419 5.205 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.839 -12.667 4.574 1.00 0.22 H new ATOM 1193 N GLN A 81 8.184 -12.349 7.080 1.00 0.18 N ATOM 1194 CA GLN A 81 9.498 -11.751 6.944 1.00 0.19 C ATOM 1195 C GLN A 81 9.618 -10.524 7.835 1.00 0.19 C ATOM 1196 O GLN A 81 8.704 -9.699 7.885 1.00 0.26 O ATOM 1197 CB GLN A 81 9.764 -11.383 5.475 1.00 0.23 C ATOM 1198 CG GLN A 81 8.761 -10.405 4.887 1.00 0.23 C ATOM 1199 CD GLN A 81 9.037 -10.093 3.437 1.00 0.37 C ATOM 1200 OE1 GLN A 81 9.815 -9.200 3.114 1.00 0.59 O ATOM 1201 NE2 GLN A 81 8.381 -10.822 2.550 1.00 0.50 N ATOM 0 H GLN A 81 7.466 -11.722 7.442 1.00 0.18 H new ATOM 0 HA GLN A 81 10.247 -12.477 7.260 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.763 -10.954 5.395 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.759 -12.294 4.877 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.757 -10.819 4.981 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.780 -9.480 5.464 1.00 0.23 H new ATOM 0 HE21 GLN A 81 7.744 -11.554 2.863 1.00 0.50 H new ATOM 0 HE22 GLN A 81 8.512 -10.652 1.553 1.00 0.50 H new ATOM 1210 N GLU A 82 10.719 -10.427 8.567 1.00 0.24 N ATOM 1211 CA GLU A 82 11.005 -9.233 9.342 1.00 0.24 C ATOM 1212 C GLU A 82 12.334 -8.638 8.909 1.00 0.25 C ATOM 1213 O GLU A 82 13.401 -9.183 9.191 1.00 0.41 O ATOM 1214 CB GLU A 82 11.024 -9.505 10.848 1.00 0.35 C ATOM 1215 CG GLU A 82 11.254 -8.241 11.668 1.00 0.44 C ATOM 1216 CD GLU A 82 11.275 -8.496 13.156 1.00 0.82 C ATOM 1217 OE1 GLU A 82 12.313 -8.961 13.670 1.00 1.21 O ATOM 1218 OE2 GLU A 82 10.257 -8.222 13.825 1.00 1.34 O ATOM 0 H GLU A 82 11.425 -11.159 8.639 1.00 0.24 H new ATOM 0 HA GLU A 82 10.200 -8.524 9.149 1.00 0.24 H new ATOM 0 HB2 GLU A 82 10.078 -9.959 11.144 1.00 0.35 H new ATOM 0 HB3 GLU A 82 11.808 -10.228 11.073 1.00 0.35 H new ATOM 0 HG2 GLU A 82 12.200 -7.789 11.370 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.469 -7.519 11.440 1.00 0.44 H new ATOM 1225 N GLU A 83 12.250 -7.532 8.209 1.00 0.22 N ATOM 1226 CA GLU A 83 13.418 -6.840 7.716 1.00 0.26 C ATOM 1227 C GLU A 83 13.591 -5.521 8.437 1.00 0.23 C ATOM 1228 O GLU A 83 12.856 -4.577 8.183 1.00 0.24 O ATOM 1229 CB GLU A 83 13.256 -6.573 6.223 1.00 0.39 C ATOM 1230 CG GLU A 83 14.448 -5.905 5.575 1.00 1.20 C ATOM 1231 CD GLU A 83 15.392 -6.901 4.947 1.00 1.73 C ATOM 1232 OE1 GLU A 83 16.197 -7.503 5.686 1.00 1.69 O ATOM 1233 OE2 GLU A 83 15.349 -7.075 3.714 1.00 2.59 O ATOM 0 H GLU A 83 11.367 -7.085 7.964 1.00 0.22 H new ATOM 0 HA GLU A 83 14.295 -7.462 7.892 1.00 0.26 H new ATOM 0 HB2 GLU A 83 13.065 -7.519 5.716 1.00 0.39 H new ATOM 0 HB3 GLU A 83 12.377 -5.947 6.072 1.00 0.39 H new ATOM 0 HG2 GLU A 83 14.101 -5.207 4.813 1.00 1.20 H new ATOM 0 HG3 GLU A 83 14.985 -5.320 6.322 1.00 1.20 H new ATOM 1240 N PRO A 84 14.556 -5.429 9.346 1.00 0.23 N ATOM 1241 CA PRO A 84 14.794 -4.203 10.094 1.00 0.21 C ATOM 1242 C PRO A 84 15.319 -3.084 9.211 1.00 0.19 C ATOM 1243 O PRO A 84 15.161 -1.905 9.534 1.00 0.20 O ATOM 1244 CB PRO A 84 15.831 -4.598 11.146 1.00 0.25 C ATOM 1245 CG PRO A 84 15.902 -6.092 11.108 1.00 0.50 C ATOM 1246 CD PRO A 84 15.483 -6.499 9.729 1.00 0.31 C ATOM 0 HA PRO A 84 13.874 -3.814 10.530 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.802 -4.155 10.924 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.538 -4.246 12.135 1.00 0.25 H new ATOM 0 HG2 PRO A 84 16.912 -6.439 11.325 1.00 0.50 H new ATOM 0 HG3 PRO A 84 15.246 -6.531 11.859 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.333 -6.561 9.049 1.00 0.31 H new ATOM 0 HD3 PRO A 84 14.999 -7.476 9.724 1.00 0.31 H new ATOM 1254 N GLU A 85 15.905 -3.450 8.084 1.00 0.20 N ATOM 1255 CA GLU A 85 16.437 -2.475 7.153 1.00 0.22 C ATOM 1256 C GLU A 85 16.714 -3.104 5.805 1.00 0.24 C ATOM 1257 O GLU A 85 17.441 -4.090 5.687 1.00 0.35 O ATOM 1258 CB GLU A 85 17.701 -1.810 7.715 1.00 0.31 C ATOM 1259 CG GLU A 85 18.332 -0.786 6.782 1.00 0.34 C ATOM 1260 CD GLU A 85 19.644 -1.262 6.194 1.00 0.90 C ATOM 1261 OE1 GLU A 85 19.620 -2.063 5.237 1.00 1.30 O ATOM 1262 OE2 GLU A 85 20.709 -0.843 6.689 1.00 1.37 O ATOM 0 H GLU A 85 16.024 -4.420 7.792 1.00 0.20 H new ATOM 0 HA GLU A 85 15.682 -1.701 7.014 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.453 -1.322 8.658 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.436 -2.583 7.939 1.00 0.31 H new ATOM 0 HG2 GLU A 85 17.637 -0.560 5.973 1.00 0.34 H new ATOM 0 HG3 GLU A 85 18.499 0.143 7.328 1.00 0.34 H new ATOM 1269 N LEU A 86 16.090 -2.522 4.812 1.00 0.23 N ATOM 1270 CA LEU A 86 16.257 -2.902 3.439 1.00 0.24 C ATOM 1271 C LEU A 86 16.508 -1.652 2.612 1.00 0.23 C ATOM 1272 O LEU A 86 15.602 -0.848 2.399 1.00 0.25 O ATOM 1273 CB LEU A 86 15.000 -3.614 2.946 1.00 0.26 C ATOM 1274 CG LEU A 86 14.948 -3.850 1.444 1.00 0.33 C ATOM 1275 CD1 LEU A 86 16.063 -4.780 0.996 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.589 -4.393 1.032 1.00 0.38 C ATOM 0 H LEU A 86 15.435 -1.751 4.944 1.00 0.23 H new ATOM 0 HA LEU A 86 17.104 -3.581 3.341 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.921 -4.575 3.454 1.00 0.26 H new ATOM 0 HB3 LEU A 86 14.129 -3.027 3.238 1.00 0.26 H new ATOM 0 HG LEU A 86 15.096 -2.891 0.948 1.00 0.33 H new ATOM 0 HD11 LEU A 86 16.000 -4.930 -0.082 1.00 0.38 H new ATOM 0 HD12 LEU A 86 17.028 -4.338 1.245 1.00 0.38 H new ATOM 0 HD13 LEU A 86 15.962 -5.740 1.503 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.573 -4.555 -0.046 1.00 0.38 H new ATOM 0 HD22 LEU A 86 13.404 -5.338 1.543 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.814 -3.676 1.303 1.00 0.38 H new ATOM 1288 N VAL A 87 17.741 -1.460 2.194 1.00 0.24 N ATOM 1289 CA VAL A 87 18.083 -0.324 1.391 1.00 0.22 C ATOM 1290 C VAL A 87 17.977 -0.665 -0.085 1.00 0.21 C ATOM 1291 O VAL A 87 18.343 -1.766 -0.508 1.00 0.28 O ATOM 1292 CB VAL A 87 19.507 0.156 1.698 1.00 0.27 C ATOM 1293 CG1 VAL A 87 19.624 0.587 3.141 1.00 1.00 C ATOM 1294 CG2 VAL A 87 20.532 -0.916 1.379 1.00 0.94 C ATOM 0 H VAL A 87 18.521 -2.084 2.402 1.00 0.24 H new ATOM 0 HA VAL A 87 17.381 0.474 1.630 1.00 0.22 H new ATOM 0 HB VAL A 87 19.712 1.016 1.060 1.00 0.27 H new ATOM 0 HG11 VAL A 87 20.642 0.924 3.339 1.00 1.00 H new ATOM 0 HG12 VAL A 87 18.927 1.403 3.335 1.00 1.00 H new ATOM 0 HG13 VAL A 87 19.387 -0.254 3.792 1.00 1.00 H new ATOM 0 HG21 VAL A 87 21.531 -0.544 1.608 1.00 0.94 H new ATOM 0 HG22 VAL A 87 20.329 -1.803 1.979 1.00 0.94 H new ATOM 0 HG23 VAL A 87 20.474 -1.172 0.321 1.00 0.94 H new ATOM 1304 N PHE A 88 17.453 0.265 -0.859 1.00 0.17 N ATOM 1305 CA PHE A 88 17.330 0.080 -2.298 1.00 0.19 C ATOM 1306 C PHE A 88 17.212 1.421 -3.000 1.00 0.20 C ATOM 1307 O PHE A 88 16.863 2.426 -2.378 1.00 0.23 O ATOM 1308 CB PHE A 88 16.109 -0.780 -2.627 1.00 0.21 C ATOM 1309 CG PHE A 88 14.804 -0.144 -2.247 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.374 -0.163 -0.932 1.00 0.19 C ATOM 1311 CD2 PHE A 88 14.010 0.470 -3.203 1.00 0.17 C ATOM 1312 CE1 PHE A 88 13.178 0.417 -0.574 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.811 1.052 -2.851 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.394 1.025 -1.537 1.00 0.15 C ATOM 0 H PHE A 88 17.104 1.160 -0.517 1.00 0.17 H new ATOM 0 HA PHE A 88 18.228 -0.428 -2.650 1.00 0.19 H new ATOM 0 HB2 PHE A 88 16.102 -0.992 -3.696 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.200 -1.737 -2.113 1.00 0.21 H new ATOM 0 HD1 PHE A 88 14.984 -0.638 -0.178 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.334 0.493 -4.233 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.853 0.397 0.456 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.199 1.528 -3.603 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.454 1.479 -1.260 1.00 0.15 H new ATOM 1324 N THR A 89 17.510 1.433 -4.289 1.00 0.23 N ATOM 1325 CA THR A 89 17.317 2.616 -5.103 1.00 0.25 C ATOM 1326 C THR A 89 15.839 2.763 -5.450 1.00 0.21 C ATOM 1327 O THR A 89 15.260 1.895 -6.105 1.00 0.22 O ATOM 1328 CB THR A 89 18.144 2.524 -6.400 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.471 2.071 -6.100 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.215 3.874 -7.097 1.00 0.37 C ATOM 0 H THR A 89 17.888 0.631 -4.794 1.00 0.23 H new ATOM 0 HA THR A 89 17.651 3.486 -4.537 1.00 0.25 H new ATOM 0 HB THR A 89 17.654 1.814 -7.066 1.00 0.33 H new ATOM 0 HG1 THR A 89 19.992 2.013 -6.928 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.804 3.782 -8.009 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.208 4.208 -7.347 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.684 4.601 -6.434 1.00 0.37 H new ATOM 1338 N LEU A 90 15.223 3.832 -4.973 1.00 0.19 N ATOM 1339 CA LEU A 90 13.822 4.096 -5.262 1.00 0.16 C ATOM 1340 C LEU A 90 13.591 4.154 -6.765 1.00 0.15 C ATOM 1341 O LEU A 90 14.336 4.817 -7.484 1.00 0.18 O ATOM 1342 CB LEU A 90 13.386 5.417 -4.641 1.00 0.16 C ATOM 1343 CG LEU A 90 11.876 5.574 -4.479 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.302 4.378 -3.737 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.555 6.862 -3.741 1.00 0.60 C ATOM 0 H LEU A 90 15.672 4.533 -4.383 1.00 0.19 H new ATOM 0 HA LEU A 90 13.233 3.284 -4.834 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.856 5.516 -3.662 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.759 6.234 -5.258 1.00 0.16 H new ATOM 0 HG LEU A 90 11.420 5.621 -5.468 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.225 4.501 -3.627 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.508 3.468 -4.300 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.761 4.307 -2.751 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.475 6.960 -3.633 1.00 0.60 H new ATOM 0 HD22 LEU A 90 12.018 6.841 -2.754 1.00 0.60 H new ATOM 0 HD23 LEU A 90 11.942 7.711 -4.305 1.00 0.60 H new ATOM 1357 N GLY A 91 12.580 3.446 -7.237 1.00 0.20 N ATOM 1358 CA GLY A 91 12.217 3.510 -8.636 1.00 0.23 C ATOM 1359 C GLY A 91 13.006 2.546 -9.482 1.00 0.26 C ATOM 1360 O GLY A 91 12.750 2.409 -10.679 1.00 0.37 O ATOM 0 H GLY A 91 12.000 2.824 -6.673 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.154 3.295 -8.742 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.375 4.524 -9.003 1.00 0.23 H new ATOM 1364 N ASP A 92 13.943 1.855 -8.857 1.00 0.27 N ATOM 1365 CA ASP A 92 14.829 0.953 -9.572 1.00 0.32 C ATOM 1366 C ASP A 92 14.181 -0.408 -9.700 1.00 0.30 C ATOM 1367 O ASP A 92 14.616 -1.246 -10.491 1.00 0.37 O ATOM 1368 CB ASP A 92 16.173 0.852 -8.837 1.00 0.42 C ATOM 1369 CG ASP A 92 17.257 0.183 -9.655 1.00 0.59 C ATOM 1370 OD1 ASP A 92 17.269 -1.065 -9.719 1.00 0.82 O ATOM 1371 OD2 ASP A 92 18.094 0.893 -10.246 1.00 0.93 O ATOM 0 H ASP A 92 14.110 1.902 -7.852 1.00 0.27 H new ATOM 0 HA ASP A 92 15.013 1.342 -10.573 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.503 1.853 -8.560 1.00 0.42 H new ATOM 0 HB3 ASP A 92 16.031 0.295 -7.911 1.00 0.42 H new ATOM 1376 N CYS A 93 13.097 -0.602 -8.946 1.00 0.28 N ATOM 1377 CA CYS A 93 12.449 -1.898 -8.862 1.00 0.27 C ATOM 1378 C CYS A 93 13.440 -2.909 -8.310 1.00 0.26 C ATOM 1379 O CYS A 93 13.428 -4.085 -8.675 1.00 0.31 O ATOM 1380 CB CYS A 93 11.943 -2.347 -10.231 1.00 0.38 C ATOM 1381 SG CYS A 93 10.984 -1.092 -11.112 1.00 0.62 S ATOM 0 H CYS A 93 12.654 0.127 -8.387 1.00 0.28 H new ATOM 0 HA CYS A 93 11.588 -1.823 -8.198 1.00 0.27 H new ATOM 0 HB2 CYS A 93 12.796 -2.634 -10.845 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.327 -3.237 -10.105 1.00 0.38 H new ATOM 0 HG CYS A 93 9.746 -1.478 -11.204 1.00 0.62 H new ATOM 1387 N ASP A 94 14.303 -2.424 -7.419 1.00 0.27 N ATOM 1388 CA ASP A 94 15.286 -3.270 -6.758 1.00 0.33 C ATOM 1389 C ASP A 94 14.571 -4.151 -5.742 1.00 0.33 C ATOM 1390 O ASP A 94 15.110 -5.128 -5.223 1.00 0.48 O ATOM 1391 CB ASP A 94 16.350 -2.401 -6.076 1.00 0.41 C ATOM 1392 CG ASP A 94 17.509 -3.204 -5.514 1.00 0.65 C ATOM 1393 OD1 ASP A 94 18.198 -3.887 -6.302 1.00 0.96 O ATOM 1394 OD2 ASP A 94 17.754 -3.134 -4.293 1.00 1.33 O ATOM 0 H ASP A 94 14.338 -1.444 -7.139 1.00 0.27 H new ATOM 0 HA ASP A 94 15.788 -3.903 -7.490 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.733 -1.677 -6.795 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.884 -1.834 -5.270 1.00 0.41 H new ATOM 1399 N VAL A 95 13.321 -3.786 -5.515 1.00 0.23 N ATOM 1400 CA VAL A 95 12.470 -4.418 -4.527 1.00 0.21 C ATOM 1401 C VAL A 95 11.146 -4.836 -5.153 1.00 0.20 C ATOM 1402 O VAL A 95 11.046 -4.975 -6.370 1.00 0.22 O ATOM 1403 CB VAL A 95 12.189 -3.432 -3.380 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.440 -3.232 -2.553 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.705 -2.102 -3.942 1.00 0.19 C ATOM 0 H VAL A 95 12.863 -3.029 -6.022 1.00 0.23 H new ATOM 0 HA VAL A 95 12.981 -5.301 -4.145 1.00 0.21 H new ATOM 0 HB VAL A 95 11.409 -3.843 -2.739 1.00 0.20 H new ATOM 0 HG11 VAL A 95 13.233 -2.533 -1.743 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.757 -4.188 -2.135 1.00 0.23 H new ATOM 0 HG13 VAL A 95 14.233 -2.831 -3.184 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.509 -1.411 -3.123 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.470 -1.683 -4.595 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.789 -2.259 -4.511 1.00 0.19 H new ATOM 1415 N ILE A 96 10.129 -5.012 -4.325 1.00 0.19 N ATOM 1416 CA ILE A 96 8.806 -5.304 -4.812 1.00 0.19 C ATOM 1417 C ILE A 96 8.162 -3.999 -5.219 1.00 0.16 C ATOM 1418 O ILE A 96 8.307 -2.989 -4.530 1.00 0.15 O ATOM 1419 CB ILE A 96 7.942 -6.020 -3.748 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.862 -5.197 -2.457 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.497 -7.406 -3.472 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.972 -5.810 -1.398 1.00 0.29 C ATOM 0 H ILE A 96 10.203 -4.956 -3.309 1.00 0.19 H new ATOM 0 HA ILE A 96 8.880 -5.982 -5.662 1.00 0.19 H new ATOM 0 HB ILE A 96 6.929 -6.121 -4.138 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.866 -5.078 -2.050 1.00 0.25 H new ATOM 0 HG13 ILE A 96 7.494 -4.199 -2.695 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.881 -7.902 -2.721 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.489 -7.991 -4.392 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.520 -7.322 -3.104 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.965 -5.172 -0.514 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.958 -5.904 -1.785 1.00 0.29 H new ATOM 0 HD13 ILE A 96 7.351 -6.796 -1.130 1.00 0.29 H new ATOM 1434 N GLN A 97 7.482 -4.005 -6.342 1.00 0.17 N ATOM 1435 CA GLN A 97 6.946 -2.772 -6.895 1.00 0.17 C ATOM 1436 C GLN A 97 5.963 -2.118 -5.928 1.00 0.16 C ATOM 1437 O GLN A 97 5.818 -0.897 -5.917 1.00 0.16 O ATOM 1438 CB GLN A 97 6.272 -3.018 -8.239 1.00 0.19 C ATOM 1439 CG GLN A 97 6.267 -1.781 -9.115 1.00 0.25 C ATOM 1440 CD GLN A 97 7.617 -1.527 -9.771 1.00 0.31 C ATOM 1441 OE1 GLN A 97 7.855 -1.967 -10.893 1.00 0.40 O ATOM 1442 NE2 GLN A 97 8.527 -0.853 -9.074 1.00 0.32 N ATOM 0 H GLN A 97 7.285 -4.841 -6.891 1.00 0.17 H new ATOM 0 HA GLN A 97 7.785 -2.093 -7.049 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.787 -3.826 -8.758 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.246 -3.348 -8.074 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.506 -1.890 -9.888 1.00 0.25 H new ATOM 0 HG3 GLN A 97 5.990 -0.915 -8.514 1.00 0.25 H new ATOM 0 HE21 GLN A 97 8.299 -0.500 -8.145 1.00 0.32 H new ATOM 0 HE22 GLN A 97 9.453 -0.689 -9.469 1.00 0.32 H new ATOM 1451 N ALA A 98 5.305 -2.938 -5.111 1.00 0.17 N ATOM 1452 CA ALA A 98 4.446 -2.434 -4.045 1.00 0.18 C ATOM 1453 C ALA A 98 5.214 -1.474 -3.153 1.00 0.17 C ATOM 1454 O ALA A 98 4.719 -0.414 -2.781 1.00 0.20 O ATOM 1455 CB ALA A 98 3.920 -3.588 -3.211 1.00 0.20 C ATOM 0 H ALA A 98 5.351 -3.955 -5.168 1.00 0.17 H new ATOM 0 HA ALA A 98 3.609 -1.904 -4.499 1.00 0.18 H new ATOM 0 HB1 ALA A 98 3.280 -3.202 -2.418 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.345 -4.263 -3.845 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.757 -4.130 -2.770 1.00 0.20 H new ATOM 1461 N LEU A 99 6.444 -1.847 -2.845 1.00 0.17 N ATOM 1462 CA LEU A 99 7.281 -1.058 -1.951 1.00 0.17 C ATOM 1463 C LEU A 99 7.903 0.115 -2.685 1.00 0.15 C ATOM 1464 O LEU A 99 7.974 1.228 -2.163 1.00 0.15 O ATOM 1465 CB LEU A 99 8.398 -1.899 -1.343 1.00 0.19 C ATOM 1466 CG LEU A 99 9.311 -1.132 -0.386 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.505 -0.554 0.769 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.416 -2.027 0.133 1.00 0.22 C ATOM 0 H LEU A 99 6.888 -2.693 -3.201 1.00 0.17 H new ATOM 0 HA LEU A 99 6.633 -0.693 -1.154 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.955 -2.740 -0.809 1.00 0.19 H new ATOM 0 HB3 LEU A 99 9.003 -2.316 -2.148 1.00 0.19 H new ATOM 0 HG LEU A 99 9.769 -0.309 -0.935 1.00 0.18 H new ATOM 0 HD11 LEU A 99 9.170 -0.011 1.441 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.748 0.127 0.380 1.00 0.21 H new ATOM 0 HD13 LEU A 99 8.019 -1.363 1.315 1.00 0.21 H new ATOM 0 HD21 LEU A 99 11.054 -1.461 0.812 1.00 0.22 H new ATOM 0 HD22 LEU A 99 9.980 -2.873 0.665 1.00 0.22 H new ATOM 0 HD23 LEU A 99 11.011 -2.393 -0.704 1.00 0.22 H new ATOM 1480 N ASP A 100 8.333 -0.154 -3.904 1.00 0.15 N ATOM 1481 CA ASP A 100 9.061 0.813 -4.710 1.00 0.16 C ATOM 1482 C ASP A 100 8.201 2.044 -4.949 1.00 0.15 C ATOM 1483 O ASP A 100 8.696 3.163 -5.080 1.00 0.16 O ATOM 1484 CB ASP A 100 9.463 0.153 -6.033 1.00 0.17 C ATOM 1485 CG ASP A 100 10.275 1.054 -6.938 1.00 0.20 C ATOM 1486 OD1 ASP A 100 9.666 1.800 -7.729 1.00 0.26 O ATOM 1487 OD2 ASP A 100 11.519 1.046 -6.840 1.00 0.21 O ATOM 0 H ASP A 100 8.188 -1.052 -4.366 1.00 0.15 H new ATOM 0 HA ASP A 100 9.962 1.134 -4.187 1.00 0.16 H new ATOM 0 HB2 ASP A 100 10.039 -0.748 -5.820 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.563 -0.162 -6.561 1.00 0.17 H new ATOM 1492 N LEU A 101 6.902 1.815 -4.999 1.00 0.16 N ATOM 1493 CA LEU A 101 5.936 2.880 -5.153 1.00 0.16 C ATOM 1494 C LEU A 101 5.454 3.428 -3.799 1.00 0.15 C ATOM 1495 O LEU A 101 5.165 4.620 -3.668 1.00 0.16 O ATOM 1496 CB LEU A 101 4.759 2.366 -5.969 1.00 0.19 C ATOM 1497 CG LEU A 101 5.107 1.881 -7.381 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.850 1.409 -8.102 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.813 2.983 -8.164 1.00 0.25 C ATOM 0 H LEU A 101 6.490 0.884 -4.934 1.00 0.16 H new ATOM 0 HA LEU A 101 6.419 3.708 -5.672 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.291 1.545 -5.425 1.00 0.19 H new ATOM 0 HB3 LEU A 101 4.017 3.161 -6.047 1.00 0.19 H new ATOM 0 HG LEU A 101 5.790 1.035 -7.305 1.00 0.22 H new ATOM 0 HD11 LEU A 101 4.112 1.067 -9.103 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.398 0.588 -7.545 1.00 0.25 H new ATOM 0 HD13 LEU A 101 3.140 2.233 -8.174 1.00 0.25 H new ATOM 0 HD21 LEU A 101 6.053 2.622 -9.164 1.00 0.25 H new ATOM 0 HD22 LEU A 101 5.159 3.852 -8.239 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.732 3.264 -7.649 1.00 0.25 H new ATOM 1511 N SER A 102 5.373 2.559 -2.794 1.00 0.15 N ATOM 1512 CA SER A 102 4.857 2.954 -1.480 1.00 0.17 C ATOM 1513 C SER A 102 5.760 3.984 -0.817 1.00 0.15 C ATOM 1514 O SER A 102 5.287 4.877 -0.117 1.00 0.18 O ATOM 1515 CB SER A 102 4.714 1.737 -0.561 1.00 0.23 C ATOM 1516 OG SER A 102 4.354 2.122 0.757 1.00 1.01 O ATOM 0 H SER A 102 5.656 1.581 -2.861 1.00 0.15 H new ATOM 0 HA SER A 102 3.875 3.400 -1.640 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.959 1.062 -0.964 1.00 0.23 H new ATOM 0 HB3 SER A 102 5.654 1.185 -0.537 1.00 0.23 H new ATOM 0 HG SER A 102 4.954 1.689 1.400 1.00 1.01 H new ATOM 1522 N VAL A 103 7.055 3.848 -1.038 1.00 0.15 N ATOM 1523 CA VAL A 103 8.032 4.726 -0.413 1.00 0.16 C ATOM 1524 C VAL A 103 7.833 6.194 -0.800 1.00 0.16 C ATOM 1525 O VAL A 103 7.699 7.037 0.076 1.00 0.18 O ATOM 1526 CB VAL A 103 9.461 4.296 -0.756 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.485 5.326 -0.283 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.757 2.940 -0.145 1.00 0.19 C ATOM 0 H VAL A 103 7.457 3.136 -1.648 1.00 0.15 H new ATOM 0 HA VAL A 103 7.876 4.638 0.662 1.00 0.16 H new ATOM 0 HB VAL A 103 9.539 4.225 -1.841 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.488 4.988 -0.543 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.288 6.283 -0.766 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.411 5.443 0.798 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.776 2.643 -0.395 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.651 2.998 0.938 1.00 0.19 H new ATOM 0 HG23 VAL A 103 9.057 2.203 -0.539 1.00 0.19 H new ATOM 1538 N PRO A 104 7.813 6.533 -2.107 1.00 0.17 N ATOM 1539 CA PRO A 104 7.540 7.909 -2.548 1.00 0.21 C ATOM 1540 C PRO A 104 6.123 8.359 -2.189 1.00 0.19 C ATOM 1541 O PRO A 104 5.826 9.553 -2.151 1.00 0.22 O ATOM 1542 CB PRO A 104 7.723 7.850 -4.069 1.00 0.27 C ATOM 1543 CG PRO A 104 7.580 6.412 -4.420 1.00 0.21 C ATOM 1544 CD PRO A 104 8.101 5.646 -3.245 1.00 0.17 C ATOM 0 HA PRO A 104 8.199 8.630 -2.063 1.00 0.21 H new ATOM 0 HB2 PRO A 104 6.976 8.457 -4.580 1.00 0.27 H new ATOM 0 HB3 PRO A 104 8.700 8.233 -4.364 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.538 6.161 -4.618 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.143 6.173 -5.322 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.602 4.682 -3.140 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.168 5.444 -3.338 1.00 0.17 H new ATOM 1552 N LEU A 105 5.246 7.388 -1.949 1.00 0.18 N ATOM 1553 CA LEU A 105 3.903 7.674 -1.461 1.00 0.19 C ATOM 1554 C LEU A 105 3.898 7.914 0.046 1.00 0.22 C ATOM 1555 O LEU A 105 2.896 8.353 0.618 1.00 0.32 O ATOM 1556 CB LEU A 105 2.962 6.521 -1.791 1.00 0.18 C ATOM 1557 CG LEU A 105 2.406 6.519 -3.212 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.263 5.529 -3.326 1.00 0.53 C ATOM 1559 CD2 LEU A 105 1.950 7.914 -3.618 1.00 0.64 C ATOM 0 H LEU A 105 5.443 6.396 -2.085 1.00 0.18 H new ATOM 0 HA LEU A 105 3.560 8.581 -1.958 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.491 5.583 -1.624 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.126 6.544 -1.092 1.00 0.18 H new ATOM 0 HG LEU A 105 3.201 6.214 -3.892 1.00 0.25 H new ATOM 0 HD11 LEU A 105 0.875 5.537 -4.345 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.622 4.529 -3.082 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.469 5.808 -2.633 1.00 0.53 H new ATOM 0 HD21 LEU A 105 1.558 7.887 -4.635 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.170 8.254 -2.937 1.00 0.64 H new ATOM 0 HD23 LEU A 105 2.795 8.600 -3.573 1.00 0.64 H new ATOM 1571 N MET A 106 4.997 7.579 0.691 1.00 0.20 N ATOM 1572 CA MET A 106 5.134 7.757 2.125 1.00 0.24 C ATOM 1573 C MET A 106 6.115 8.894 2.437 1.00 0.21 C ATOM 1574 O MET A 106 6.959 9.241 1.611 1.00 0.26 O ATOM 1575 CB MET A 106 5.597 6.433 2.742 1.00 0.33 C ATOM 1576 CG MET A 106 7.058 6.403 3.135 1.00 0.53 C ATOM 1577 SD MET A 106 7.686 4.723 3.330 1.00 0.78 S ATOM 1578 CE MET A 106 6.646 4.126 4.657 1.00 0.54 C ATOM 0 H MET A 106 5.818 7.177 0.239 1.00 0.20 H new ATOM 0 HA MET A 106 4.173 8.035 2.558 1.00 0.24 H new ATOM 0 HB2 MET A 106 4.992 6.226 3.625 1.00 0.33 H new ATOM 0 HB3 MET A 106 5.408 5.629 2.031 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.646 6.921 2.377 1.00 0.53 H new ATOM 0 HG3 MET A 106 7.191 6.948 4.070 1.00 0.53 H new ATOM 0 HE1 MET A 106 6.877 3.080 4.858 1.00 0.54 H new ATOM 0 HE2 MET A 106 6.827 4.716 5.555 1.00 0.54 H new ATOM 0 HE3 MET A 106 5.599 4.218 4.368 1.00 0.54 H new ATOM 1588 N ASP A 107 5.992 9.479 3.620 1.00 0.18 N ATOM 1589 CA ASP A 107 6.880 10.558 4.038 1.00 0.18 C ATOM 1590 C ASP A 107 8.076 10.012 4.800 1.00 0.14 C ATOM 1591 O ASP A 107 8.030 8.907 5.342 1.00 0.13 O ATOM 1592 CB ASP A 107 6.133 11.569 4.909 1.00 0.25 C ATOM 1593 CG ASP A 107 5.585 12.735 4.112 1.00 0.56 C ATOM 1594 OD1 ASP A 107 4.541 12.572 3.448 1.00 0.92 O ATOM 1595 OD2 ASP A 107 6.197 13.825 4.157 1.00 0.97 O ATOM 0 H ASP A 107 5.285 9.225 4.310 1.00 0.18 H new ATOM 0 HA ASP A 107 7.236 11.060 3.138 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.312 11.066 5.420 1.00 0.25 H new ATOM 0 HB3 ASP A 107 6.806 11.945 5.680 1.00 0.25 H new ATOM 1600 N VAL A 108 9.157 10.778 4.833 1.00 0.16 N ATOM 1601 CA VAL A 108 10.353 10.343 5.535 1.00 0.16 C ATOM 1602 C VAL A 108 10.084 10.255 7.034 1.00 0.15 C ATOM 1603 O VAL A 108 9.559 11.183 7.655 1.00 0.19 O ATOM 1604 CB VAL A 108 11.577 11.256 5.242 1.00 0.21 C ATOM 1605 CG1 VAL A 108 11.632 12.473 6.156 1.00 0.68 C ATOM 1606 CG2 VAL A 108 12.871 10.459 5.331 1.00 0.80 C ATOM 0 H VAL A 108 9.230 11.693 4.387 1.00 0.16 H new ATOM 0 HA VAL A 108 10.607 9.351 5.162 1.00 0.16 H new ATOM 0 HB VAL A 108 11.458 11.630 4.225 1.00 0.21 H new ATOM 0 HG11 VAL A 108 12.506 13.075 5.908 1.00 0.68 H new ATOM 0 HG12 VAL A 108 10.730 13.070 6.022 1.00 0.68 H new ATOM 0 HG13 VAL A 108 11.700 12.146 7.194 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.717 11.114 5.123 1.00 0.80 H new ATOM 0 HG22 VAL A 108 12.973 10.042 6.333 1.00 0.80 H new ATOM 0 HG23 VAL A 108 12.851 9.650 4.601 1.00 0.80 H new ATOM 1616 N GLY A 109 10.390 9.100 7.581 1.00 0.15 N ATOM 1617 CA GLY A 109 10.241 8.875 9.002 1.00 0.17 C ATOM 1618 C GLY A 109 8.900 8.262 9.361 1.00 0.18 C ATOM 1619 O GLY A 109 8.577 8.128 10.544 1.00 0.28 O ATOM 0 H GLY A 109 10.745 8.298 7.061 1.00 0.15 H new ATOM 0 HA2 GLY A 109 11.040 8.219 9.347 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.356 9.822 9.530 1.00 0.17 H new ATOM 1623 N GLU A 110 8.116 7.875 8.354 1.00 0.13 N ATOM 1624 CA GLU A 110 6.787 7.357 8.611 1.00 0.13 C ATOM 1625 C GLU A 110 6.774 5.844 8.671 1.00 0.10 C ATOM 1626 O GLU A 110 7.748 5.176 8.311 1.00 0.12 O ATOM 1627 CB GLU A 110 5.769 7.842 7.572 1.00 0.17 C ATOM 1628 CG GLU A 110 5.677 7.030 6.293 1.00 0.20 C ATOM 1629 CD GLU A 110 4.383 7.307 5.541 1.00 0.27 C ATOM 1630 OE1 GLU A 110 4.106 8.483 5.231 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.642 6.350 5.231 1.00 0.39 O ATOM 0 H GLU A 110 8.380 7.912 7.369 1.00 0.13 H new ATOM 0 HA GLU A 110 6.495 7.746 9.586 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.784 7.858 8.039 1.00 0.17 H new ATOM 0 HB3 GLU A 110 6.013 8.871 7.308 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.527 7.263 5.652 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.739 5.968 6.531 1.00 0.20 H new ATOM 1638 N THR A 111 5.662 5.315 9.148 1.00 0.10 N ATOM 1639 CA THR A 111 5.447 3.895 9.188 1.00 0.11 C ATOM 1640 C THR A 111 4.137 3.604 8.485 1.00 0.11 C ATOM 1641 O THR A 111 3.080 4.080 8.904 1.00 0.12 O ATOM 1642 CB THR A 111 5.409 3.374 10.639 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.465 3.984 11.396 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.573 1.863 10.680 1.00 0.19 C ATOM 0 H THR A 111 4.887 5.865 9.517 1.00 0.10 H new ATOM 0 HA THR A 111 6.270 3.385 8.688 1.00 0.11 H new ATOM 0 HB THR A 111 4.441 3.631 11.070 1.00 0.16 H new ATOM 0 HG1 THR A 111 6.439 3.654 12.318 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.543 1.522 11.715 1.00 0.19 H new ATOM 0 HG22 THR A 111 4.765 1.394 10.119 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.530 1.589 10.235 1.00 0.19 H new ATOM 1652 N ALA A 112 4.207 2.867 7.398 1.00 0.12 N ATOM 1653 CA ALA A 112 3.042 2.626 6.582 1.00 0.13 C ATOM 1654 C ALA A 112 2.741 1.150 6.500 1.00 0.12 C ATOM 1655 O ALA A 112 3.633 0.331 6.307 1.00 0.13 O ATOM 1656 CB ALA A 112 3.261 3.194 5.197 1.00 0.18 C ATOM 0 H ALA A 112 5.061 2.424 7.060 1.00 0.12 H new ATOM 0 HA ALA A 112 2.187 3.121 7.041 1.00 0.13 H new ATOM 0 HB1 ALA A 112 2.379 3.010 4.584 1.00 0.18 H new ATOM 0 HB2 ALA A 112 3.436 4.268 5.267 1.00 0.18 H new ATOM 0 HB3 ALA A 112 4.127 2.715 4.740 1.00 0.18 H new ATOM 1662 N MET A 113 1.486 0.813 6.657 1.00 0.12 N ATOM 1663 CA MET A 113 1.054 -0.545 6.441 1.00 0.12 C ATOM 1664 C MET A 113 0.487 -0.622 5.037 1.00 0.12 C ATOM 1665 O MET A 113 -0.473 0.071 4.718 1.00 0.14 O ATOM 1666 CB MET A 113 -0.010 -0.950 7.466 1.00 0.16 C ATOM 1667 CG MET A 113 -0.807 -2.177 7.052 1.00 0.25 C ATOM 1668 SD MET A 113 -2.086 -2.619 8.243 1.00 0.53 S ATOM 1669 CE MET A 113 -1.092 -3.437 9.481 1.00 1.32 C ATOM 0 H MET A 113 0.746 1.459 6.933 1.00 0.12 H new ATOM 0 HA MET A 113 1.894 -1.230 6.558 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.473 -1.145 8.423 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.694 -0.115 7.619 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.269 -1.993 6.082 1.00 0.25 H new ATOM 0 HG3 MET A 113 -0.127 -3.020 6.927 1.00 0.25 H new ATOM 0 HE1 MET A 113 -1.738 -3.823 10.270 1.00 1.32 H new ATOM 0 HE2 MET A 113 -0.547 -4.262 9.023 1.00 1.32 H new ATOM 0 HE3 MET A 113 -0.384 -2.726 9.907 1.00 1.32 H new ATOM 1679 N VAL A 114 1.096 -1.425 4.194 1.00 0.12 N ATOM 1680 CA VAL A 114 0.686 -1.518 2.808 1.00 0.12 C ATOM 1681 C VAL A 114 0.105 -2.884 2.548 1.00 0.13 C ATOM 1682 O VAL A 114 0.718 -3.894 2.900 1.00 0.16 O ATOM 1683 CB VAL A 114 1.892 -1.327 1.873 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.465 -1.097 0.434 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.766 -0.203 2.377 1.00 0.17 C ATOM 0 H VAL A 114 1.881 -2.026 4.444 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.053 -0.740 2.617 1.00 0.12 H new ATOM 0 HB VAL A 114 2.474 -2.249 1.880 1.00 0.15 H new ATOM 0 HG11 VAL A 114 2.348 -0.967 -0.191 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.894 -1.956 0.082 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.845 -0.202 0.377 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.617 -0.076 1.708 1.00 0.17 H new ATOM 0 HG22 VAL A 114 2.188 0.721 2.409 1.00 0.17 H new ATOM 0 HG23 VAL A 114 3.124 -0.442 3.378 1.00 0.17 H new ATOM 1695 N THR A 115 -1.057 -2.940 1.944 1.00 0.14 N ATOM 1696 CA THR A 115 -1.567 -4.207 1.536 1.00 0.14 C ATOM 1697 C THR A 115 -1.531 -4.271 0.030 1.00 0.13 C ATOM 1698 O THR A 115 -2.228 -3.530 -0.662 1.00 0.16 O ATOM 1699 CB THR A 115 -2.981 -4.491 2.065 1.00 0.17 C ATOM 1700 OG1 THR A 115 -2.997 -4.407 3.494 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.409 -5.880 1.663 1.00 0.20 C ATOM 0 H THR A 115 -1.649 -2.137 1.732 1.00 0.14 H new ATOM 0 HA THR A 115 -0.935 -4.983 1.968 1.00 0.14 H new ATOM 0 HB THR A 115 -3.663 -3.753 1.643 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.628 -3.712 3.774 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.412 -6.075 2.041 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.409 -5.960 0.576 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.715 -6.610 2.081 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.680 -5.142 -0.444 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.436 -5.311 -1.861 1.00 0.13 C ATOM 1711 C ALA A 116 -0.645 -6.750 -2.249 1.00 0.12 C ATOM 1712 O ALA A 116 -0.190 -7.652 -1.545 1.00 0.13 O ATOM 1713 CB ALA A 116 0.981 -4.892 -2.190 1.00 0.15 C ATOM 0 H ALA A 116 -0.128 -5.764 0.146 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.133 -4.687 -2.420 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.160 -5.021 -3.257 1.00 0.15 H new ATOM 0 HB2 ALA A 116 1.122 -3.845 -1.922 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.682 -5.508 -1.627 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.340 -6.968 -3.352 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.483 -8.311 -3.884 1.00 0.13 C ATOM 1721 C ASP A 117 -0.105 -8.931 -4.025 1.00 0.11 C ATOM 1722 O ASP A 117 0.876 -8.228 -4.276 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.166 -8.296 -5.246 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.651 -9.678 -5.672 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -1.805 -10.550 -5.942 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -3.887 -9.896 -5.718 1.00 0.58 O ATOM 0 H ASP A 117 -1.809 -6.241 -3.891 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.100 -8.893 -3.199 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -3.013 -7.611 -5.216 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.471 -7.912 -5.993 1.00 0.16 H new ATOM 1731 N SER A 118 -0.027 -10.233 -3.853 1.00 0.13 N ATOM 1732 CA SER A 118 1.233 -10.939 -3.963 1.00 0.16 C ATOM 1733 C SER A 118 1.868 -10.677 -5.329 1.00 0.13 C ATOM 1734 O SER A 118 3.076 -10.724 -5.479 1.00 0.15 O ATOM 1735 CB SER A 118 1.008 -12.433 -3.749 1.00 0.27 C ATOM 1736 OG SER A 118 2.186 -13.082 -3.315 1.00 0.82 O ATOM 0 H SER A 118 -0.826 -10.828 -3.635 1.00 0.13 H new ATOM 0 HA SER A 118 1.916 -10.576 -3.195 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.219 -12.580 -3.012 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.664 -12.886 -4.679 1.00 0.27 H new ATOM 0 HG SER A 118 2.005 -14.036 -3.185 1.00 0.82 H new ATOM 1742 N LYS A 119 1.054 -10.373 -6.326 1.00 0.13 N ATOM 1743 CA LYS A 119 1.575 -10.010 -7.637 1.00 0.14 C ATOM 1744 C LYS A 119 2.512 -8.797 -7.551 1.00 0.14 C ATOM 1745 O LYS A 119 3.452 -8.678 -8.336 1.00 0.18 O ATOM 1746 CB LYS A 119 0.432 -9.737 -8.612 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.629 -8.819 -8.067 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.711 -8.558 -9.102 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.459 -9.832 -9.464 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.357 -9.642 -10.633 1.00 0.81 N ATOM 0 H LYS A 119 0.036 -10.370 -6.256 1.00 0.13 H new ATOM 0 HA LYS A 119 2.156 -10.854 -8.009 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.841 -9.302 -9.524 1.00 0.17 H new ATOM 0 HB3 LYS A 119 -0.029 -10.685 -8.890 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -1.073 -9.261 -7.175 1.00 0.19 H new ATOM 0 HG3 LYS A 119 -0.177 -7.875 -7.763 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.414 -7.820 -8.716 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.262 -8.132 -9.999 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -1.742 -10.623 -9.684 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -3.046 -10.163 -8.607 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -3.846 -10.535 -10.844 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -4.059 -8.906 -10.416 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -2.795 -9.352 -11.459 1.00 0.81 H new ATOM 1764 N TYR A 120 2.271 -7.911 -6.582 1.00 0.13 N ATOM 1765 CA TYR A 120 3.151 -6.769 -6.352 1.00 0.15 C ATOM 1766 C TYR A 120 4.190 -7.111 -5.301 1.00 0.15 C ATOM 1767 O TYR A 120 5.076 -6.312 -4.985 1.00 0.19 O ATOM 1768 CB TYR A 120 2.344 -5.549 -5.901 1.00 0.16 C ATOM 1769 CG TYR A 120 1.294 -5.134 -6.884 1.00 0.20 C ATOM 1770 CD1 TYR A 120 0.028 -5.688 -6.839 1.00 0.23 C ATOM 1771 CD2 TYR A 120 1.576 -4.200 -7.864 1.00 0.28 C ATOM 1772 CE1 TYR A 120 -0.940 -5.329 -7.746 1.00 0.30 C ATOM 1773 CE2 TYR A 120 0.615 -3.832 -8.781 1.00 0.34 C ATOM 1774 CZ TYR A 120 -0.640 -4.400 -8.718 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.594 -4.040 -9.636 1.00 0.42 O ATOM 0 H TYR A 120 1.475 -7.964 -5.947 1.00 0.13 H new ATOM 0 HA TYR A 120 3.654 -6.531 -7.289 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.869 -5.770 -4.945 1.00 0.16 H new ATOM 0 HB3 TYR A 120 3.025 -4.714 -5.733 1.00 0.16 H new ATOM 0 HD1 TYR A 120 -0.205 -6.417 -6.077 1.00 0.23 H new ATOM 0 HD2 TYR A 120 2.559 -3.755 -7.911 1.00 0.28 H new ATOM 0 HE1 TYR A 120 -1.925 -5.770 -7.697 1.00 0.30 H new ATOM 0 HE2 TYR A 120 0.844 -3.103 -9.544 1.00 0.34 H new ATOM 0 HH TYR A 120 -2.464 -3.965 -9.191 1.00 0.42 H new ATOM 1785 N CYS A 121 4.074 -8.315 -4.784 1.00 0.14 N ATOM 1786 CA CYS A 121 4.930 -8.785 -3.724 1.00 0.15 C ATOM 1787 C CYS A 121 5.710 -10.016 -4.176 1.00 0.16 C ATOM 1788 O CYS A 121 6.788 -9.883 -4.750 1.00 0.18 O ATOM 1789 CB CYS A 121 4.087 -9.088 -2.496 1.00 0.14 C ATOM 1790 SG CYS A 121 3.124 -7.675 -1.906 1.00 0.16 S ATOM 0 H CYS A 121 3.379 -8.996 -5.091 1.00 0.14 H new ATOM 0 HA CYS A 121 5.655 -8.012 -3.469 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.407 -9.908 -2.727 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.740 -9.431 -1.694 1.00 0.14 H new ATOM 0 HG CYS A 121 1.863 -7.989 -1.882 1.00 0.16 H new ATOM 1796 N TYR A 122 5.169 -11.217 -3.950 1.00 0.16 N ATOM 1797 CA TYR A 122 5.852 -12.425 -4.388 1.00 0.18 C ATOM 1798 C TYR A 122 4.873 -13.519 -4.826 1.00 0.18 C ATOM 1799 O TYR A 122 5.081 -14.671 -4.484 1.00 0.20 O ATOM 1800 CB TYR A 122 6.737 -12.989 -3.267 1.00 0.19 C ATOM 1801 CG TYR A 122 7.493 -11.959 -2.466 1.00 0.20 C ATOM 1802 CD1 TYR A 122 8.731 -11.500 -2.890 1.00 0.21 C ATOM 1803 CD2 TYR A 122 6.976 -11.458 -1.274 1.00 0.19 C ATOM 1804 CE1 TYR A 122 9.433 -10.571 -2.151 1.00 0.23 C ATOM 1805 CE2 TYR A 122 7.671 -10.533 -0.534 1.00 0.20 C ATOM 1806 CZ TYR A 122 8.900 -10.090 -0.974 1.00 0.22 C ATOM 1807 OH TYR A 122 9.597 -9.167 -0.235 1.00 0.24 O ATOM 0 H TYR A 122 4.279 -11.372 -3.476 1.00 0.16 H new ATOM 0 HA TYR A 122 6.463 -12.137 -5.243 1.00 0.18 H new ATOM 0 HB2 TYR A 122 6.111 -13.566 -2.587 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.454 -13.682 -3.706 1.00 0.19 H new ATOM 0 HD1 TYR A 122 9.151 -11.875 -3.811 1.00 0.21 H new ATOM 0 HD2 TYR A 122 6.013 -11.802 -0.926 1.00 0.19 H new ATOM 0 HE1 TYR A 122 10.396 -10.222 -2.493 1.00 0.23 H new ATOM 0 HE2 TYR A 122 7.256 -10.154 0.389 1.00 0.20 H new ATOM 0 HH TYR A 122 9.082 -8.931 0.564 1.00 0.24 H new ATOM 1817 N GLY A 123 3.822 -13.171 -5.582 1.00 0.19 N ATOM 1818 CA GLY A 123 2.882 -14.176 -6.075 1.00 0.21 C ATOM 1819 C GLY A 123 3.551 -15.300 -6.842 1.00 0.21 C ATOM 1820 O GLY A 123 3.886 -16.330 -6.270 1.00 0.25 O ATOM 0 H GLY A 123 3.607 -12.214 -5.860 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.335 -14.597 -5.231 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.149 -13.692 -6.720 1.00 0.21 H new ATOM 1824 N PRO A 124 3.754 -15.132 -8.153 1.00 0.25 N ATOM 1825 CA PRO A 124 4.497 -16.098 -8.960 1.00 0.30 C ATOM 1826 C PRO A 124 6.002 -15.926 -8.773 1.00 0.30 C ATOM 1827 O PRO A 124 6.809 -16.494 -9.508 1.00 0.34 O ATOM 1828 CB PRO A 124 4.088 -15.740 -10.388 1.00 0.37 C ATOM 1829 CG PRO A 124 3.813 -14.276 -10.340 1.00 0.58 C ATOM 1830 CD PRO A 124 3.259 -14.000 -8.965 1.00 0.32 C ATOM 0 HA PRO A 124 4.281 -17.133 -8.693 1.00 0.30 H new ATOM 0 HB2 PRO A 124 4.882 -15.972 -11.098 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.207 -16.300 -10.701 1.00 0.37 H new ATOM 0 HG2 PRO A 124 4.723 -13.702 -10.516 1.00 0.58 H new ATOM 0 HG3 PRO A 124 3.100 -13.988 -11.113 1.00 0.58 H new ATOM 0 HD2 PRO A 124 3.611 -13.044 -8.576 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.170 -13.959 -8.973 1.00 0.32 H new ATOM 1838 N GLN A 125 6.363 -15.116 -7.786 1.00 0.27 N ATOM 1839 CA GLN A 125 7.748 -14.769 -7.541 1.00 0.30 C ATOM 1840 C GLN A 125 8.280 -15.542 -6.348 1.00 0.32 C ATOM 1841 O GLN A 125 9.371 -16.108 -6.390 1.00 0.39 O ATOM 1842 CB GLN A 125 7.849 -13.270 -7.286 1.00 0.30 C ATOM 1843 CG GLN A 125 7.164 -12.447 -8.359 1.00 0.33 C ATOM 1844 CD GLN A 125 7.097 -10.974 -8.024 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.006 -10.213 -8.346 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.008 -10.558 -7.391 1.00 0.29 N ATOM 0 H GLN A 125 5.704 -14.685 -7.138 1.00 0.27 H new ATOM 0 HA GLN A 125 8.348 -15.030 -8.413 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.405 -13.039 -6.318 1.00 0.30 H new ATOM 0 HB3 GLN A 125 8.900 -12.985 -7.230 1.00 0.30 H new ATOM 0 HG2 GLN A 125 7.696 -12.575 -9.302 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.153 -12.826 -8.509 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.277 -11.224 -7.142 1.00 0.29 H new ATOM 0 HE22 GLN A 125 5.902 -9.572 -7.153 1.00 0.29 H new ATOM 1855 N GLY A 126 7.478 -15.561 -5.292 1.00 0.27 N ATOM 1856 CA GLY A 126 7.855 -16.191 -4.051 1.00 0.27 C ATOM 1857 C GLY A 126 8.839 -15.366 -3.259 1.00 0.28 C ATOM 1858 O GLY A 126 9.713 -14.701 -3.814 1.00 0.30 O ATOM 0 H GLY A 126 6.550 -15.138 -5.280 1.00 0.27 H new ATOM 0 HA2 GLY A 126 6.963 -16.363 -3.449 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.291 -17.168 -4.261 1.00 0.27 H new ATOM 1862 N SER A 127 8.683 -15.399 -1.955 1.00 0.27 N ATOM 1863 CA SER A 127 9.517 -14.610 -1.079 1.00 0.28 C ATOM 1864 C SER A 127 10.747 -15.392 -0.616 1.00 0.32 C ATOM 1865 O SER A 127 10.814 -16.613 -0.762 1.00 0.33 O ATOM 1866 CB SER A 127 8.689 -14.091 0.112 1.00 0.27 C ATOM 1867 OG SER A 127 9.506 -13.570 1.154 1.00 0.30 O ATOM 0 H SER A 127 7.983 -15.966 -1.477 1.00 0.27 H new ATOM 0 HA SER A 127 9.887 -13.751 -1.638 1.00 0.28 H new ATOM 0 HB2 SER A 127 8.007 -13.314 -0.234 1.00 0.27 H new ATOM 0 HB3 SER A 127 8.076 -14.902 0.506 1.00 0.27 H new ATOM 0 HG SER A 127 8.938 -13.251 1.887 1.00 0.30 H new ATOM 1873 N ARG A 128 11.725 -14.654 -0.088 1.00 0.38 N ATOM 1874 CA ARG A 128 13.026 -15.202 0.277 1.00 0.42 C ATOM 1875 C ARG A 128 12.905 -16.337 1.293 1.00 0.42 C ATOM 1876 O ARG A 128 13.531 -17.381 1.134 1.00 0.52 O ATOM 1877 CB ARG A 128 13.926 -14.082 0.817 1.00 0.52 C ATOM 1878 CG ARG A 128 13.324 -13.323 1.995 1.00 1.12 C ATOM 1879 CD ARG A 128 14.227 -12.194 2.460 1.00 1.41 C ATOM 1880 NE ARG A 128 14.375 -11.154 1.438 1.00 1.81 N ATOM 1881 CZ ARG A 128 14.433 -9.847 1.700 1.00 2.33 C ATOM 1882 NH1 ARG A 128 14.359 -9.412 2.946 1.00 2.45 N ATOM 1883 NH2 ARG A 128 14.570 -8.981 0.705 1.00 3.17 N ATOM 0 H ARG A 128 11.633 -13.655 0.098 1.00 0.38 H new ATOM 0 HA ARG A 128 13.477 -15.627 -0.620 1.00 0.42 H new ATOM 0 HB2 ARG A 128 14.880 -14.511 1.123 1.00 0.52 H new ATOM 0 HB3 ARG A 128 14.136 -13.378 0.012 1.00 0.52 H new ATOM 0 HG2 ARG A 128 12.354 -12.918 1.708 1.00 1.12 H new ATOM 0 HG3 ARG A 128 13.150 -14.013 2.821 1.00 1.12 H new ATOM 0 HD2 ARG A 128 13.818 -11.753 3.369 1.00 1.41 H new ATOM 0 HD3 ARG A 128 15.208 -12.595 2.714 1.00 1.41 H new ATOM 0 HE ARG A 128 14.438 -11.448 0.463 1.00 1.81 H new ATOM 0 HH11 ARG A 128 14.257 -10.077 3.713 1.00 2.45 H new ATOM 0 HH12 ARG A 128 14.404 -8.412 3.140 1.00 2.45 H new ATOM 0 HH21 ARG A 128 14.631 -9.315 -0.257 1.00 3.17 H new ATOM 0 HH22 ARG A 128 14.615 -7.981 0.902 1.00 3.17 H new ATOM 1897 N SER A 129 12.095 -16.140 2.323 1.00 0.42 N ATOM 1898 CA SER A 129 11.900 -17.172 3.322 1.00 0.44 C ATOM 1899 C SER A 129 10.774 -18.116 2.896 1.00 0.41 C ATOM 1900 O SER A 129 11.006 -19.316 2.737 1.00 0.44 O ATOM 1901 CB SER A 129 11.643 -16.557 4.703 1.00 0.48 C ATOM 1902 OG SER A 129 12.746 -15.766 5.118 1.00 1.23 O ATOM 0 H SER A 129 11.568 -15.282 2.485 1.00 0.42 H new ATOM 0 HA SER A 129 12.814 -17.761 3.402 1.00 0.44 H new ATOM 0 HB2 SER A 129 10.742 -15.944 4.671 1.00 0.48 H new ATOM 0 HB3 SER A 129 11.464 -17.349 5.431 1.00 0.48 H new ATOM 0 HG SER A 129 12.560 -15.382 6.000 1.00 1.23 H new ATOM 1908 N PRO A 130 9.536 -17.620 2.704 1.00 0.37 N ATOM 1909 CA PRO A 130 8.467 -18.402 2.135 1.00 0.36 C ATOM 1910 C PRO A 130 8.138 -17.965 0.712 1.00 0.32 C ATOM 1911 O PRO A 130 7.893 -16.789 0.466 1.00 0.27 O ATOM 1912 CB PRO A 130 7.293 -18.030 3.055 1.00 0.37 C ATOM 1913 CG PRO A 130 7.698 -16.735 3.722 1.00 0.37 C ATOM 1914 CD PRO A 130 9.003 -16.319 3.088 1.00 0.37 C ATOM 0 HA PRO A 130 8.703 -19.464 2.076 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.372 -17.907 2.486 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.110 -18.811 3.793 1.00 0.37 H new ATOM 0 HG2 PRO A 130 6.935 -15.969 3.579 1.00 0.37 H new ATOM 0 HG3 PRO A 130 7.815 -16.872 4.797 1.00 0.37 H new ATOM 0 HD2 PRO A 130 8.857 -15.661 2.231 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.654 -15.793 3.786 1.00 0.37 H new ATOM 1922 N TYR A 131 8.131 -18.887 -0.224 1.00 0.33 N ATOM 1923 CA TYR A 131 7.528 -18.624 -1.515 1.00 0.32 C ATOM 1924 C TYR A 131 6.069 -18.250 -1.282 1.00 0.30 C ATOM 1925 O TYR A 131 5.215 -19.117 -1.084 1.00 0.32 O ATOM 1926 CB TYR A 131 7.646 -19.849 -2.436 1.00 0.36 C ATOM 1927 CG TYR A 131 7.120 -19.634 -3.851 1.00 0.45 C ATOM 1928 CD1 TYR A 131 5.753 -19.601 -4.117 1.00 0.78 C ATOM 1929 CD2 TYR A 131 7.995 -19.472 -4.921 1.00 1.00 C ATOM 1930 CE1 TYR A 131 5.276 -19.406 -5.400 1.00 0.87 C ATOM 1931 CE2 TYR A 131 7.526 -19.275 -6.208 1.00 1.14 C ATOM 1932 CZ TYR A 131 6.165 -19.243 -6.441 1.00 0.81 C ATOM 1933 OH TYR A 131 5.692 -19.047 -7.720 1.00 1.00 O ATOM 0 H TYR A 131 8.532 -19.819 -0.119 1.00 0.33 H new ATOM 0 HA TYR A 131 8.047 -17.805 -2.012 1.00 0.32 H new ATOM 0 HB2 TYR A 131 8.694 -20.144 -2.493 1.00 0.36 H new ATOM 0 HB3 TYR A 131 7.105 -20.680 -1.984 1.00 0.36 H new ATOM 0 HD1 TYR A 131 5.052 -19.730 -3.305 1.00 0.78 H new ATOM 0 HD2 TYR A 131 9.060 -19.501 -4.744 1.00 1.00 H new ATOM 0 HE1 TYR A 131 4.212 -19.381 -5.586 1.00 0.87 H new ATOM 0 HE2 TYR A 131 8.220 -19.147 -7.025 1.00 1.14 H new ATOM 0 HH TYR A 131 6.447 -18.949 -8.337 1.00 1.00 H new ATOM 1943 N ILE A 132 5.805 -16.953 -1.254 1.00 0.27 N ATOM 1944 CA ILE A 132 4.486 -16.461 -0.934 1.00 0.26 C ATOM 1945 C ILE A 132 3.492 -16.904 -1.999 1.00 0.25 C ATOM 1946 O ILE A 132 3.736 -16.725 -3.188 1.00 0.25 O ATOM 1947 CB ILE A 132 4.463 -14.918 -0.832 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.484 -14.388 0.168 1.00 0.39 C ATOM 1949 CG2 ILE A 132 3.081 -14.444 -0.452 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.468 -15.075 1.503 1.00 0.23 C ATOM 0 H ILE A 132 6.492 -16.225 -1.450 1.00 0.27 H new ATOM 0 HA ILE A 132 4.207 -16.876 0.035 1.00 0.26 H new ATOM 0 HB ILE A 132 4.732 -14.526 -1.813 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.480 -14.485 -0.264 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.305 -13.324 0.320 1.00 0.39 H new ATOM 0 HG21 ILE A 132 3.076 -13.356 -0.383 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.366 -14.763 -1.210 1.00 0.26 H new ATOM 0 HG23 ILE A 132 2.802 -14.870 0.512 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.226 -14.633 2.149 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.486 -14.956 1.962 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.680 -16.136 1.369 1.00 0.23 H new ATOM 1962 N PRO A 133 2.377 -17.526 -1.577 1.00 0.27 N ATOM 1963 CA PRO A 133 1.332 -18.000 -2.484 1.00 0.28 C ATOM 1964 C PRO A 133 0.898 -16.917 -3.466 1.00 0.26 C ATOM 1965 O PRO A 133 0.746 -15.747 -3.095 1.00 0.26 O ATOM 1966 CB PRO A 133 0.169 -18.376 -1.548 1.00 0.34 C ATOM 1967 CG PRO A 133 0.547 -17.853 -0.202 1.00 0.61 C ATOM 1968 CD PRO A 133 2.045 -17.814 -0.180 1.00 0.31 C ATOM 0 HA PRO A 133 1.675 -18.832 -3.099 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.767 -17.935 -1.890 1.00 0.34 H new ATOM 0 HB3 PRO A 133 0.022 -19.456 -1.521 1.00 0.34 H new ATOM 0 HG2 PRO A 133 0.128 -16.860 -0.037 1.00 0.61 H new ATOM 0 HG3 PRO A 133 0.162 -18.496 0.589 1.00 0.61 H new ATOM 0 HD2 PRO A 133 2.421 -17.043 0.493 1.00 0.31 H new ATOM 0 HD3 PRO A 133 2.470 -18.761 0.151 1.00 0.31 H new ATOM 1976 N PRO A 134 0.725 -17.280 -4.740 1.00 0.27 N ATOM 1977 CA PRO A 134 0.302 -16.343 -5.770 1.00 0.25 C ATOM 1978 C PRO A 134 -1.038 -15.700 -5.443 1.00 0.27 C ATOM 1979 O PRO A 134 -1.987 -16.381 -5.057 1.00 0.32 O ATOM 1980 CB PRO A 134 0.199 -17.193 -7.036 1.00 0.29 C ATOM 1981 CG PRO A 134 1.037 -18.393 -6.761 1.00 0.52 C ATOM 1982 CD PRO A 134 0.948 -18.628 -5.279 1.00 0.33 C ATOM 0 HA PRO A 134 1.003 -15.514 -5.871 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -0.835 -17.472 -7.242 1.00 0.29 H new ATOM 0 HB3 PRO A 134 0.562 -16.649 -7.908 1.00 0.29 H new ATOM 0 HG2 PRO A 134 0.674 -19.258 -7.316 1.00 0.52 H new ATOM 0 HG3 PRO A 134 2.069 -18.227 -7.069 1.00 0.52 H new ATOM 0 HD2 PRO A 134 0.130 -19.303 -5.026 1.00 0.33 H new ATOM 0 HD3 PRO A 134 1.862 -19.073 -4.886 1.00 0.33 H new ATOM 1990 N HIS A 135 -1.074 -14.380 -5.583 1.00 0.26 N ATOM 1991 CA HIS A 135 -2.274 -13.561 -5.347 1.00 0.31 C ATOM 1992 C HIS A 135 -2.548 -13.351 -3.861 1.00 0.32 C ATOM 1993 O HIS A 135 -3.524 -12.695 -3.509 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.546 -14.149 -5.985 1.00 0.41 C ATOM 1995 CG HIS A 135 -3.463 -14.397 -7.454 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -3.833 -15.594 -8.026 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -3.070 -13.600 -8.475 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -3.668 -15.526 -9.333 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -3.205 -14.328 -9.632 1.00 2.25 N ATOM 0 H HIS A 135 -0.262 -13.833 -5.868 1.00 0.26 H new ATOM 0 HA HIS A 135 -2.047 -12.607 -5.823 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.782 -15.089 -5.487 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -4.377 -13.470 -5.794 1.00 0.41 H new ATOM 0 HD2 HIS A 135 -2.717 -12.583 -8.395 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -3.877 -16.317 -10.038 1.00 2.38 H new ATOM 0 HE2 HIS A 135 -2.983 -13.996 -10.570 1.00 2.25 H new ATOM 2008 N ALA A 136 -1.710 -13.901 -2.988 1.00 0.24 N ATOM 2009 CA ALA A 136 -1.917 -13.728 -1.553 1.00 0.24 C ATOM 2010 C ALA A 136 -1.687 -12.278 -1.175 1.00 0.21 C ATOM 2011 O ALA A 136 -0.609 -11.738 -1.409 1.00 0.22 O ATOM 2012 CB ALA A 136 -1.000 -14.639 -0.754 1.00 0.26 C ATOM 0 H ALA A 136 -0.896 -14.460 -3.241 1.00 0.24 H new ATOM 0 HA ALA A 136 -2.945 -14.001 -1.315 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -1.176 -14.489 0.311 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -1.204 -15.678 -1.013 1.00 0.26 H new ATOM 0 HB3 ALA A 136 0.039 -14.404 -0.987 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.687 -11.648 -0.591 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.599 -10.227 -0.313 1.00 0.19 C ATOM 2020 C ALA A 137 -1.650 -9.992 0.852 1.00 0.16 C ATOM 2021 O ALA A 137 -1.923 -10.378 1.987 1.00 0.20 O ATOM 2022 CB ALA A 137 -3.975 -9.642 -0.021 1.00 0.22 C ATOM 0 H ALA A 137 -3.560 -12.090 -0.303 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.208 -9.719 -1.195 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.881 -8.576 0.184 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.624 -9.790 -0.884 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.406 -10.142 0.846 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.529 -9.365 0.556 1.00 0.13 N ATOM 2029 CA LEU A 138 0.503 -9.143 1.541 1.00 0.12 C ATOM 2030 C LEU A 138 0.257 -7.848 2.286 1.00 0.13 C ATOM 2031 O LEU A 138 -0.007 -6.813 1.678 1.00 0.15 O ATOM 2032 CB LEU A 138 1.874 -9.105 0.872 1.00 0.13 C ATOM 2033 CG LEU A 138 2.810 -10.218 1.315 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.130 -11.553 1.132 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.115 -10.171 0.549 1.00 0.19 C ATOM 0 H LEU A 138 -0.311 -8.998 -0.370 1.00 0.13 H new ATOM 0 HA LEU A 138 0.479 -9.967 2.254 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.741 -9.164 -0.208 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.343 -8.144 1.083 1.00 0.13 H new ATOM 0 HG LEU A 138 3.045 -10.079 2.370 1.00 0.15 H new ATOM 0 HD11 LEU A 138 2.802 -12.350 1.450 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.221 -11.584 1.733 1.00 0.22 H new ATOM 0 HD13 LEU A 138 1.875 -11.691 0.081 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.765 -10.979 0.887 1.00 0.19 H new ATOM 0 HD22 LEU A 138 3.916 -10.287 -0.516 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.605 -9.213 0.724 1.00 0.19 H new ATOM 2047 N CYS A 139 0.345 -7.910 3.596 1.00 0.13 N ATOM 2048 CA CYS A 139 0.185 -6.734 4.419 1.00 0.14 C ATOM 2049 C CYS A 139 1.501 -6.447 5.122 1.00 0.13 C ATOM 2050 O CYS A 139 1.835 -7.068 6.129 1.00 0.14 O ATOM 2051 CB CYS A 139 -0.925 -6.964 5.439 1.00 0.18 C ATOM 2052 SG CYS A 139 -1.598 -5.453 6.167 1.00 1.20 S ATOM 0 H CYS A 139 0.528 -8.768 4.116 1.00 0.13 H new ATOM 0 HA CYS A 139 -0.089 -5.879 3.800 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.735 -7.513 4.958 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -0.541 -7.598 6.238 1.00 0.18 H new ATOM 0 HG CYS A 139 -2.270 -4.799 5.266 1.00 1.20 H new ATOM 2058 N LEU A 140 2.250 -5.513 4.583 1.00 0.13 N ATOM 2059 CA LEU A 140 3.585 -5.247 5.071 1.00 0.14 C ATOM 2060 C LEU A 140 3.686 -3.868 5.700 1.00 0.13 C ATOM 2061 O LEU A 140 3.207 -2.883 5.153 1.00 0.12 O ATOM 2062 CB LEU A 140 4.583 -5.388 3.927 1.00 0.17 C ATOM 2063 CG LEU A 140 4.216 -4.638 2.655 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.164 -3.469 2.457 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.247 -5.566 1.448 1.00 0.32 C ATOM 0 H LEU A 140 1.957 -4.923 3.804 1.00 0.13 H new ATOM 0 HA LEU A 140 3.818 -5.975 5.848 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.557 -5.037 4.269 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.691 -6.446 3.688 1.00 0.17 H new ATOM 0 HG LEU A 140 3.200 -4.257 2.755 1.00 0.17 H new ATOM 0 HD11 LEU A 140 4.897 -2.935 1.545 1.00 0.26 H new ATOM 0 HD12 LEU A 140 5.090 -2.792 3.308 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.186 -3.839 2.375 1.00 0.26 H new ATOM 0 HD21 LEU A 140 3.981 -5.006 0.552 1.00 0.32 H new ATOM 0 HD22 LEU A 140 5.249 -5.980 1.333 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.534 -6.377 1.594 1.00 0.32 H new ATOM 2077 N GLU A 141 4.310 -3.812 6.855 1.00 0.14 N ATOM 2078 CA GLU A 141 4.512 -2.564 7.559 1.00 0.13 C ATOM 2079 C GLU A 141 5.928 -2.062 7.306 1.00 0.12 C ATOM 2080 O GLU A 141 6.900 -2.692 7.724 1.00 0.15 O ATOM 2081 CB GLU A 141 4.260 -2.790 9.045 1.00 0.18 C ATOM 2082 CG GLU A 141 4.541 -1.597 9.938 1.00 0.26 C ATOM 2083 CD GLU A 141 4.198 -1.898 11.385 1.00 0.30 C ATOM 2084 OE1 GLU A 141 4.342 -3.072 11.799 1.00 1.00 O ATOM 2085 OE2 GLU A 141 3.758 -0.979 12.105 1.00 1.05 O ATOM 0 H GLU A 141 4.692 -4.628 7.333 1.00 0.14 H new ATOM 0 HA GLU A 141 3.817 -1.805 7.200 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.220 -3.087 9.179 1.00 0.18 H new ATOM 0 HB3 GLU A 141 4.875 -3.626 9.378 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.593 -1.322 9.861 1.00 0.26 H new ATOM 0 HG3 GLU A 141 3.962 -0.739 9.596 1.00 0.26 H new ATOM 2092 N VAL A 142 6.035 -0.952 6.595 1.00 0.12 N ATOM 2093 CA VAL A 142 7.322 -0.394 6.228 1.00 0.12 C ATOM 2094 C VAL A 142 7.618 0.898 6.985 1.00 0.12 C ATOM 2095 O VAL A 142 6.833 1.847 6.971 1.00 0.15 O ATOM 2096 CB VAL A 142 7.422 -0.136 4.710 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.578 -1.449 3.970 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.202 0.607 4.190 1.00 0.19 C ATOM 0 H VAL A 142 5.235 -0.416 6.258 1.00 0.12 H new ATOM 0 HA VAL A 142 8.067 -1.139 6.506 1.00 0.12 H new ATOM 0 HB VAL A 142 8.298 0.488 4.534 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.648 -1.257 2.899 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.484 -1.952 4.308 1.00 0.19 H new ATOM 0 HG13 VAL A 142 6.715 -2.084 4.169 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.306 0.772 3.118 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.307 0.015 4.381 1.00 0.19 H new ATOM 0 HG23 VAL A 142 6.117 1.568 4.698 1.00 0.19 H new ATOM 2108 N THR A 143 8.734 0.894 7.682 1.00 0.13 N ATOM 2109 CA THR A 143 9.267 2.085 8.310 1.00 0.13 C ATOM 2110 C THR A 143 10.325 2.722 7.416 1.00 0.12 C ATOM 2111 O THR A 143 11.395 2.148 7.212 1.00 0.15 O ATOM 2112 CB THR A 143 9.917 1.750 9.665 1.00 0.17 C ATOM 2113 OG1 THR A 143 9.098 0.818 10.389 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.111 3.006 10.496 1.00 0.22 C ATOM 0 H THR A 143 9.301 0.059 7.830 1.00 0.13 H new ATOM 0 HA THR A 143 8.438 2.775 8.465 1.00 0.13 H new ATOM 0 HB THR A 143 10.892 1.303 9.472 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.521 0.610 11.248 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.572 2.744 11.449 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.757 3.701 9.959 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.144 3.475 10.677 1.00 0.22 H new ATOM 2122 N LEU A 144 10.013 3.882 6.867 1.00 0.13 N ATOM 2123 CA LEU A 144 10.992 4.657 6.119 1.00 0.12 C ATOM 2124 C LEU A 144 11.824 5.454 7.093 1.00 0.12 C ATOM 2125 O LEU A 144 11.395 6.486 7.599 1.00 0.14 O ATOM 2126 CB LEU A 144 10.307 5.585 5.120 1.00 0.14 C ATOM 2127 CG LEU A 144 11.251 6.431 4.269 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.168 5.536 3.443 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.453 7.359 3.367 1.00 0.13 C ATOM 0 H LEU A 144 9.089 4.310 6.924 1.00 0.13 H new ATOM 0 HA LEU A 144 11.631 3.980 5.553 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.685 4.984 4.457 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.639 6.251 5.666 1.00 0.14 H new ATOM 0 HG LEU A 144 11.870 7.038 4.929 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.835 6.154 2.842 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.759 4.907 4.109 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.567 4.906 2.787 1.00 0.15 H new ATOM 0 HD21 LEU A 144 11.137 7.957 2.765 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.814 6.768 2.711 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.836 8.018 3.978 1.00 0.13 H new ATOM 2141 N LYS A 145 13.007 4.959 7.366 1.00 0.14 N ATOM 2142 CA LYS A 145 13.817 5.510 8.428 1.00 0.17 C ATOM 2143 C LYS A 145 14.864 6.452 7.868 1.00 0.16 C ATOM 2144 O LYS A 145 15.390 7.302 8.580 1.00 0.21 O ATOM 2145 CB LYS A 145 14.482 4.379 9.211 1.00 0.26 C ATOM 2146 CG LYS A 145 13.547 3.221 9.508 1.00 0.40 C ATOM 2147 CD LYS A 145 14.261 2.091 10.227 1.00 0.60 C ATOM 2148 CE LYS A 145 15.351 1.474 9.367 1.00 0.38 C ATOM 2149 NZ LYS A 145 16.180 0.510 10.136 1.00 1.08 N ATOM 0 H LYS A 145 13.431 4.176 6.868 1.00 0.14 H new ATOM 0 HA LYS A 145 13.175 6.078 9.101 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.338 4.010 8.646 1.00 0.26 H new ATOM 0 HB3 LYS A 145 14.868 4.775 10.150 1.00 0.26 H new ATOM 0 HG2 LYS A 145 12.715 3.573 10.119 1.00 0.40 H new ATOM 0 HG3 LYS A 145 13.123 2.848 8.576 1.00 0.40 H new ATOM 0 HD2 LYS A 145 14.697 2.467 11.152 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.539 1.323 10.505 1.00 0.60 H new ATOM 0 HE2 LYS A 145 14.898 0.966 8.515 1.00 0.38 H new ATOM 0 HE3 LYS A 145 15.988 2.262 8.966 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 17.150 0.509 9.760 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 16.198 0.789 11.138 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 15.774 -0.443 10.049 1.00 1.08 H new ATOM 2163 N THR A 146 15.177 6.301 6.590 1.00 0.16 N ATOM 2164 CA THR A 146 16.214 7.107 5.979 1.00 0.19 C ATOM 2165 C THR A 146 16.052 7.168 4.471 1.00 0.17 C ATOM 2166 O THR A 146 15.589 6.214 3.848 1.00 0.16 O ATOM 2167 CB THR A 146 17.617 6.540 6.291 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.760 6.302 7.700 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.712 7.489 5.831 1.00 0.37 C ATOM 0 H THR A 146 14.730 5.632 5.963 1.00 0.16 H new ATOM 0 HA THR A 146 16.117 8.108 6.398 1.00 0.19 H new ATOM 0 HB THR A 146 17.717 5.600 5.748 1.00 0.25 H new ATOM 0 HG1 THR A 146 18.653 5.942 7.882 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.687 7.061 6.065 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.632 7.642 4.755 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.603 8.445 6.343 1.00 0.37 H new ATOM 2177 N ALA A 147 16.428 8.300 3.899 1.00 0.20 N ATOM 2178 CA ALA A 147 16.548 8.433 2.462 1.00 0.19 C ATOM 2179 C ALA A 147 17.862 9.123 2.131 1.00 0.22 C ATOM 2180 O ALA A 147 18.162 10.180 2.683 1.00 0.25 O ATOM 2181 CB ALA A 147 15.369 9.214 1.903 1.00 0.21 C ATOM 0 H ALA A 147 16.657 9.148 4.418 1.00 0.20 H new ATOM 0 HA ALA A 147 16.541 7.445 2.002 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.473 9.306 0.822 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.442 8.689 2.135 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.345 10.207 2.351 1.00 0.21 H new ATOM 2187 N VAL A 148 18.653 8.519 1.254 1.00 0.24 N ATOM 2188 CA VAL A 148 19.916 9.096 0.853 1.00 0.31 C ATOM 2189 C VAL A 148 19.943 9.243 -0.648 1.00 0.34 C ATOM 2190 O VAL A 148 19.381 8.430 -1.364 1.00 0.36 O ATOM 2191 CB VAL A 148 21.114 8.223 1.247 1.00 0.42 C ATOM 2192 CG1 VAL A 148 22.281 9.096 1.629 1.00 0.92 C ATOM 2193 CG2 VAL A 148 20.774 7.250 2.372 1.00 0.75 C ATOM 0 H VAL A 148 18.436 7.627 0.809 1.00 0.24 H new ATOM 0 HA VAL A 148 19.999 10.057 1.361 1.00 0.31 H new ATOM 0 HB VAL A 148 21.385 7.620 0.380 1.00 0.42 H new ATOM 0 HG11 VAL A 148 23.128 8.469 1.908 1.00 0.92 H new ATOM 0 HG12 VAL A 148 22.557 9.725 0.783 1.00 0.92 H new ATOM 0 HG13 VAL A 148 22.003 9.726 2.474 1.00 0.92 H new ATOM 0 HG21 VAL A 148 21.653 6.654 2.616 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.459 7.809 3.253 1.00 0.75 H new ATOM 0 HG23 VAL A 148 19.967 6.591 2.052 1.00 0.75 H new