USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 578 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 115 ASN : amide:sc= 0.0197 X(o=0.95,f=0.7) USER MOD Set 1.2: A 117 ASN : amide:sc= 1.08 K(o=0.95,f=-0.82) USER MOD Set 1.3: A 121 SER OG : rot 177:sc= -0.151 USER MOD Set 2.1: A 98 SER OG : rot -175:sc= 0.426 USER MOD Set 2.2: A 153 HIS : no HD1:sc= -1.09! C(o=-0.67!,f=-3.8!) USER MOD Set 3.1: A 57 CYS SG : rot 150:sc= 0.847 USER MOD Set 3.2: A 60 TYR OH : rot -140:sc= 0.115 USER MOD Set 3.3: A 109 HIS : no HE2:sc= 0.77 K(o=1.7,f=-5.4!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.023 X(o=-0.023,f=-0.18) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.881 USER MOD Single : A 64 LYS NZ :NH3+ -124:sc= 0.211 (180deg=-0.415) USER MOD Single : A 68 ASN : amide:sc=-0.00027 K(o=-0.00027,f=-0.81) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -31:sc= 1.14 USER MOD Single : A 75 ASN : amide:sc=-0.00771 X(o=-0.0077,f=-0.18) USER MOD Single : A 77 ASN : amide:sc= -0.203 K(o=-0.2,f=-3.1!) USER MOD Single : A 78 ASN : amide:sc= 0.854 K(o=0.85,f=-0.39) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -167:sc= -0.295 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.42) USER MOD Single : A 92 ASN : amide:sc= 0.139 X(o=0.14,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.45 K(o=-1.4,f=-2.6!) USER MOD Single : A 102 SER OG : rot -69:sc= 0.479 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 40:sc= -2.08! USER MOD Single : A 127 MET CE :methyl -158:sc= -0.162 (180deg=-0.895) USER MOD Single : A 140 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= 0.19 X(o=0.19,f=0) USER MOD Single : A 151 TYR OH : rot -140:sc= -1.31 USER MOD ----------------------------------------------------------------- ATOM 723 N THR A 53 -7.907 -4.981 -12.660 1.00 43.34 N ATOM 724 CA THR A 53 -9.188 -5.710 -12.763 1.00 62.35 C ATOM 725 C THR A 53 -9.748 -6.126 -11.394 1.00 74.21 C ATOM 726 O THR A 53 -8.999 -6.415 -10.455 1.00 24.34 O ATOM 727 CB THR A 53 -9.065 -6.970 -13.660 1.00 64.42 C ATOM 728 OG1 THR A 53 -10.336 -7.635 -13.753 1.00 31.43 O ATOM 729 CG2 THR A 53 -8.019 -7.942 -13.117 1.00 71.21 C ATOM 0 HA THR A 53 -9.883 -5.006 -13.220 1.00 62.35 H new ATOM 0 HB THR A 53 -8.747 -6.643 -14.650 1.00 64.42 H new ATOM 0 HG1 THR A 53 -10.249 -8.428 -14.322 1.00 31.43 H new ATOM 0 HG21 THR A 53 -7.959 -8.813 -13.769 1.00 71.21 H new ATOM 0 HG22 THR A 53 -7.048 -7.448 -13.080 1.00 71.21 H new ATOM 0 HG23 THR A 53 -8.303 -8.259 -12.114 1.00 71.21 H new ATOM 737 N ALA A 54 -11.078 -6.167 -11.297 1.00 75.41 N ATOM 738 CA ALA A 54 -11.764 -6.521 -10.049 1.00 74.34 C ATOM 739 C ALA A 54 -11.447 -7.959 -9.608 1.00 2.14 C ATOM 740 O ALA A 54 -11.341 -8.869 -10.431 1.00 42.51 O ATOM 741 CB ALA A 54 -13.269 -6.336 -10.203 1.00 71.33 C ATOM 0 H ALA A 54 -11.707 -5.958 -12.072 1.00 75.41 H new ATOM 0 HA ALA A 54 -11.397 -5.851 -9.272 1.00 74.34 H new ATOM 0 HB1 ALA A 54 -13.766 -6.602 -9.270 1.00 71.33 H new ATOM 0 HB2 ALA A 54 -13.485 -5.295 -10.445 1.00 71.33 H new ATOM 0 HB3 ALA A 54 -13.634 -6.978 -11.004 1.00 71.33 H new ATOM 747 N GLY A 55 -11.309 -8.158 -8.300 1.00 33.02 N ATOM 748 CA GLY A 55 -10.923 -9.463 -7.769 1.00 71.14 C ATOM 749 C GLY A 55 -9.457 -9.508 -7.355 1.00 61.40 C ATOM 750 O GLY A 55 -9.061 -10.325 -6.524 1.00 44.13 O ATOM 0 H GLY A 55 -11.457 -7.438 -7.592 1.00 33.02 H new ATOM 0 HA2 GLY A 55 -11.549 -9.702 -6.909 1.00 71.14 H new ATOM 0 HA3 GLY A 55 -11.109 -10.229 -8.522 1.00 71.14 H new ATOM 754 N GLN A 56 -8.650 -8.630 -7.948 1.00 5.01 N ATOM 755 CA GLN A 56 -7.235 -8.500 -7.586 1.00 22.11 C ATOM 756 C GLN A 56 -7.049 -7.365 -6.565 1.00 50.13 C ATOM 757 O GLN A 56 -7.680 -6.313 -6.679 1.00 75.12 O ATOM 758 CB GLN A 56 -6.387 -8.224 -8.840 1.00 33.13 C ATOM 759 CG GLN A 56 -6.627 -9.200 -9.990 1.00 2.33 C ATOM 760 CD GLN A 56 -6.382 -10.653 -9.608 1.00 71.22 C ATOM 761 OE1 GLN A 56 -7.286 -11.359 -9.174 1.00 43.40 O ATOM 762 NE2 GLN A 56 -5.157 -11.111 -9.770 1.00 43.21 N ATOM 0 H GLN A 56 -8.952 -7.994 -8.686 1.00 5.01 H new ATOM 0 HA GLN A 56 -6.904 -9.436 -7.136 1.00 22.11 H new ATOM 0 HB2 GLN A 56 -6.594 -7.212 -9.189 1.00 33.13 H new ATOM 0 HB3 GLN A 56 -5.333 -8.257 -8.565 1.00 33.13 H new ATOM 0 HG2 GLN A 56 -7.653 -9.092 -10.341 1.00 2.33 H new ATOM 0 HG3 GLN A 56 -5.976 -8.936 -10.823 1.00 2.33 H new ATOM 0 HE21 GLN A 56 -4.427 -10.498 -10.133 1.00 43.21 H new ATOM 0 HE22 GLN A 56 -4.939 -12.079 -9.532 1.00 43.21 H new ATOM 771 N CYS A 57 -6.186 -7.579 -5.572 1.00 1.22 N ATOM 772 CA CYS A 57 -5.941 -6.574 -4.525 1.00 15.53 C ATOM 773 C CYS A 57 -5.530 -5.214 -5.115 1.00 12.02 C ATOM 774 O CYS A 57 -5.810 -4.164 -4.540 1.00 20.12 O ATOM 775 CB CYS A 57 -4.873 -7.072 -3.546 1.00 30.41 C ATOM 776 SG CYS A 57 -5.237 -8.702 -2.858 1.00 72.41 S ATOM 0 H CYS A 57 -5.643 -8.436 -5.466 1.00 1.22 H new ATOM 0 HA CYS A 57 -6.879 -6.428 -3.989 1.00 15.53 H new ATOM 0 HB2 CYS A 57 -3.911 -7.108 -4.057 1.00 30.41 H new ATOM 0 HB3 CYS A 57 -4.775 -6.355 -2.731 1.00 30.41 H new ATOM 0 HG CYS A 57 -4.124 -9.320 -2.594 1.00 72.41 H new ATOM 782 N THR A 58 -4.889 -5.254 -6.277 1.00 24.32 N ATOM 783 CA THR A 58 -4.432 -4.045 -6.981 1.00 35.34 C ATOM 784 C THR A 58 -5.587 -3.090 -7.346 1.00 0.31 C ATOM 785 O THR A 58 -5.434 -1.867 -7.307 1.00 35.33 O ATOM 786 CB THR A 58 -3.689 -4.435 -8.280 1.00 74.53 C ATOM 787 OG1 THR A 58 -4.523 -5.294 -9.076 1.00 1.43 O ATOM 788 CG2 THR A 58 -2.375 -5.151 -7.972 1.00 42.02 C ATOM 0 H THR A 58 -4.668 -6.122 -6.764 1.00 24.32 H new ATOM 0 HA THR A 58 -3.767 -3.523 -6.293 1.00 35.34 H new ATOM 0 HB THR A 58 -3.464 -3.520 -8.828 1.00 74.53 H new ATOM 0 HG1 THR A 58 -4.050 -5.538 -9.899 1.00 1.43 H new ATOM 0 HG21 THR A 58 -1.876 -5.412 -8.905 1.00 42.02 H new ATOM 0 HG22 THR A 58 -1.731 -4.494 -7.388 1.00 42.02 H new ATOM 0 HG23 THR A 58 -2.580 -6.058 -7.403 1.00 42.02 H new ATOM 796 N TRP A 59 -6.739 -3.660 -7.689 1.00 72.32 N ATOM 797 CA TRP A 59 -7.884 -2.885 -8.188 1.00 70.34 C ATOM 798 C TRP A 59 -8.421 -1.864 -7.165 1.00 42.14 C ATOM 799 O TRP A 59 -8.395 -0.656 -7.416 1.00 12.21 O ATOM 800 CB TRP A 59 -9.008 -3.838 -8.614 1.00 3.43 C ATOM 801 CG TRP A 59 -10.233 -3.138 -9.137 1.00 40.44 C ATOM 802 CD1 TRP A 59 -10.343 -2.440 -10.308 1.00 31.13 C ATOM 803 CD2 TRP A 59 -11.519 -3.076 -8.513 1.00 70.22 C ATOM 804 NE1 TRP A 59 -11.615 -1.942 -10.441 1.00 32.14 N ATOM 805 CE2 TRP A 59 -12.357 -2.320 -9.355 1.00 53.13 C ATOM 806 CE3 TRP A 59 -12.047 -3.587 -7.322 1.00 41.21 C ATOM 807 CZ2 TRP A 59 -13.688 -2.062 -9.043 1.00 71.55 C ATOM 808 CZ3 TRP A 59 -13.369 -3.330 -7.014 1.00 63.41 C ATOM 809 CH2 TRP A 59 -14.178 -2.574 -7.872 1.00 31.30 C ATOM 0 H TRP A 59 -6.910 -4.664 -7.632 1.00 72.32 H new ATOM 0 HA TRP A 59 -7.528 -2.311 -9.044 1.00 70.34 H new ATOM 0 HB2 TRP A 59 -8.629 -4.511 -9.384 1.00 3.43 H new ATOM 0 HB3 TRP A 59 -9.290 -4.456 -7.762 1.00 3.43 H new ATOM 0 HD1 TRP A 59 -9.546 -2.301 -11.023 1.00 31.13 H new ATOM 0 HE1 TRP A 59 -11.953 -1.381 -11.223 1.00 32.14 H new ATOM 0 HE3 TRP A 59 -11.431 -4.172 -6.655 1.00 41.21 H new ATOM 0 HZ2 TRP A 59 -14.313 -1.478 -9.702 1.00 71.55 H new ATOM 0 HZ3 TRP A 59 -13.786 -3.718 -6.096 1.00 63.41 H new ATOM 0 HH2 TRP A 59 -15.208 -2.392 -7.604 1.00 31.30 H new ATOM 820 N TYR A 60 -8.916 -2.344 -6.024 1.00 42.42 N ATOM 821 CA TYR A 60 -9.587 -1.467 -5.050 1.00 52.10 C ATOM 822 C TYR A 60 -8.623 -0.470 -4.378 1.00 5.32 C ATOM 823 O TYR A 60 -9.032 0.626 -3.984 1.00 41.31 O ATOM 824 CB TYR A 60 -10.345 -2.295 -3.996 1.00 44.11 C ATOM 825 CG TYR A 60 -9.516 -3.344 -3.276 1.00 34.23 C ATOM 826 CD1 TYR A 60 -8.703 -3.002 -2.198 1.00 21.34 C ATOM 827 CD2 TYR A 60 -9.573 -4.681 -3.653 1.00 4.32 C ATOM 828 CE1 TYR A 60 -7.974 -3.960 -1.523 1.00 24.43 C ATOM 829 CE2 TYR A 60 -8.841 -5.643 -2.985 1.00 73.30 C ATOM 830 CZ TYR A 60 -8.044 -5.279 -1.918 1.00 70.35 C ATOM 831 OH TYR A 60 -7.329 -6.238 -1.236 1.00 72.52 O ATOM 0 H TYR A 60 -8.869 -3.325 -5.748 1.00 42.42 H new ATOM 0 HA TYR A 60 -10.307 -0.872 -5.611 1.00 52.10 H new ATOM 0 HB2 TYR A 60 -10.763 -1.614 -3.255 1.00 44.11 H new ATOM 0 HB3 TYR A 60 -11.185 -2.791 -4.483 1.00 44.11 H new ATOM 0 HD1 TYR A 60 -8.642 -1.970 -1.885 1.00 21.34 H new ATOM 0 HD2 TYR A 60 -10.200 -4.972 -4.482 1.00 4.32 H new ATOM 0 HE1 TYR A 60 -7.350 -3.677 -0.688 1.00 24.43 H new ATOM 0 HE2 TYR A 60 -8.892 -6.676 -3.296 1.00 73.30 H new ATOM 0 HH TYR A 60 -6.951 -6.879 -1.873 1.00 72.52 H new ATOM 841 N VAL A 61 -7.350 -0.837 -4.249 1.00 2.14 N ATOM 842 CA VAL A 61 -6.347 0.073 -3.681 1.00 72.42 C ATOM 843 C VAL A 61 -6.149 1.307 -4.580 1.00 44.31 C ATOM 844 O VAL A 61 -5.954 2.426 -4.093 1.00 45.04 O ATOM 845 CB VAL A 61 -4.988 -0.642 -3.477 1.00 43.13 C ATOM 846 CG1 VAL A 61 -3.946 0.314 -2.897 1.00 63.24 C ATOM 847 CG2 VAL A 61 -5.151 -1.865 -2.579 1.00 72.10 C ATOM 0 H VAL A 61 -6.987 -1.749 -4.526 1.00 2.14 H new ATOM 0 HA VAL A 61 -6.721 0.397 -2.710 1.00 72.42 H new ATOM 0 HB VAL A 61 -4.635 -0.975 -4.453 1.00 43.13 H new ATOM 0 HG11 VAL A 61 -3.002 -0.214 -2.764 1.00 63.24 H new ATOM 0 HG12 VAL A 61 -3.801 1.151 -3.580 1.00 63.24 H new ATOM 0 HG13 VAL A 61 -4.292 0.688 -1.933 1.00 63.24 H new ATOM 0 HG21 VAL A 61 -4.185 -2.352 -2.449 1.00 72.10 H new ATOM 0 HG22 VAL A 61 -5.535 -1.554 -1.607 1.00 72.10 H new ATOM 0 HG23 VAL A 61 -5.850 -2.563 -3.039 1.00 72.10 H new ATOM 857 N TYR A 62 -6.223 1.095 -5.894 1.00 31.33 N ATOM 858 CA TYR A 62 -6.061 2.176 -6.872 1.00 3.40 C ATOM 859 C TYR A 62 -7.121 3.275 -6.660 1.00 63.44 C ATOM 860 O TYR A 62 -6.854 4.467 -6.842 1.00 22.55 O ATOM 861 CB TYR A 62 -6.152 1.602 -8.294 1.00 63.52 C ATOM 862 CG TYR A 62 -5.523 2.481 -9.358 1.00 51.05 C ATOM 863 CD1 TYR A 62 -4.153 2.431 -9.593 1.00 24.03 C ATOM 864 CD2 TYR A 62 -6.287 3.355 -10.124 1.00 64.13 C ATOM 865 CE1 TYR A 62 -3.565 3.223 -10.556 1.00 15.24 C ATOM 866 CE2 TYR A 62 -5.703 4.150 -11.090 1.00 62.34 C ATOM 867 CZ TYR A 62 -4.340 4.080 -11.303 1.00 54.01 C ATOM 868 OH TYR A 62 -3.752 4.872 -12.259 1.00 52.31 O ATOM 0 H TYR A 62 -6.395 0.180 -6.310 1.00 31.33 H new ATOM 0 HA TYR A 62 -5.080 2.631 -6.733 1.00 3.40 H new ATOM 0 HB2 TYR A 62 -5.668 0.626 -8.312 1.00 63.52 H new ATOM 0 HB3 TYR A 62 -7.201 1.442 -8.543 1.00 63.52 H new ATOM 0 HD1 TYR A 62 -3.539 1.760 -9.011 1.00 24.03 H new ATOM 0 HD2 TYR A 62 -7.353 3.413 -9.961 1.00 64.13 H new ATOM 0 HE1 TYR A 62 -2.499 3.171 -10.724 1.00 15.24 H new ATOM 0 HE2 TYR A 62 -6.309 4.824 -11.677 1.00 62.34 H new ATOM 0 HH TYR A 62 -4.437 5.418 -12.698 1.00 52.31 H new ATOM 878 N ASP A 63 -8.320 2.858 -6.257 1.00 41.15 N ATOM 879 CA ASP A 63 -9.404 3.789 -5.934 1.00 51.50 C ATOM 880 C ASP A 63 -9.095 4.540 -4.623 1.00 33.22 C ATOM 881 O ASP A 63 -9.152 5.772 -4.564 1.00 34.04 O ATOM 882 CB ASP A 63 -10.726 3.017 -5.809 1.00 75.21 C ATOM 883 CG ASP A 63 -11.938 3.925 -5.660 1.00 62.05 C ATOM 884 OD1 ASP A 63 -12.101 4.543 -4.589 1.00 22.05 O ATOM 885 OD2 ASP A 63 -12.737 4.027 -6.617 1.00 33.45 O ATOM 0 H ASP A 63 -8.568 1.875 -6.145 1.00 41.15 H new ATOM 0 HA ASP A 63 -9.494 4.523 -6.735 1.00 51.50 H new ATOM 0 HB2 ASP A 63 -10.857 2.388 -6.690 1.00 75.21 H new ATOM 0 HB3 ASP A 63 -10.671 2.351 -4.948 1.00 75.21 H new ATOM 890 N LYS A 64 -8.747 3.784 -3.580 1.00 33.00 N ATOM 891 CA LYS A 64 -8.425 4.354 -2.259 1.00 12.32 C ATOM 892 C LYS A 64 -7.311 5.414 -2.323 1.00 62.34 C ATOM 893 O LYS A 64 -7.340 6.406 -1.590 1.00 73.53 O ATOM 894 CB LYS A 64 -8.018 3.234 -1.292 1.00 1.32 C ATOM 895 CG LYS A 64 -9.183 2.362 -0.828 1.00 35.51 C ATOM 896 CD LYS A 64 -10.144 3.129 0.081 1.00 13.21 C ATOM 897 CE LYS A 64 -9.461 3.559 1.377 1.00 32.22 C ATOM 898 NZ LYS A 64 -10.370 4.314 2.276 1.00 72.10 N ATOM 0 H LYS A 64 -8.679 2.767 -3.620 1.00 33.00 H new ATOM 0 HA LYS A 64 -9.325 4.853 -1.900 1.00 12.32 H new ATOM 0 HB2 LYS A 64 -7.274 2.601 -1.777 1.00 1.32 H new ATOM 0 HB3 LYS A 64 -7.539 3.677 -0.419 1.00 1.32 H new ATOM 0 HG2 LYS A 64 -9.725 1.989 -1.697 1.00 35.51 H new ATOM 0 HG3 LYS A 64 -8.796 1.493 -0.296 1.00 35.51 H new ATOM 0 HD2 LYS A 64 -10.520 4.008 -0.443 1.00 13.21 H new ATOM 0 HD3 LYS A 64 -11.006 2.503 0.312 1.00 13.21 H new ATOM 0 HE2 LYS A 64 -9.090 2.677 1.898 1.00 32.22 H new ATOM 0 HE3 LYS A 64 -8.595 4.177 1.140 1.00 32.22 H new ATOM 0 HZ1 LYS A 64 -9.948 5.238 2.500 1.00 72.10 H new ATOM 0 HZ2 LYS A 64 -11.285 4.457 1.804 1.00 72.10 H new ATOM 0 HZ3 LYS A 64 -10.514 3.777 3.155 1.00 72.10 H new ATOM 912 N VAL A 65 -6.325 5.193 -3.190 1.00 30.31 N ATOM 913 CA VAL A 65 -5.203 6.130 -3.347 1.00 74.20 C ATOM 914 C VAL A 65 -5.563 7.311 -4.277 1.00 73.44 C ATOM 915 O VAL A 65 -4.775 8.242 -4.457 1.00 33.13 O ATOM 916 CB VAL A 65 -3.946 5.398 -3.886 1.00 42.52 C ATOM 917 CG1 VAL A 65 -4.147 4.951 -5.332 1.00 62.52 C ATOM 918 CG2 VAL A 65 -2.698 6.270 -3.745 1.00 35.33 C ATOM 0 H VAL A 65 -6.276 4.375 -3.797 1.00 30.31 H new ATOM 0 HA VAL A 65 -4.985 6.535 -2.359 1.00 74.20 H new ATOM 0 HB VAL A 65 -3.796 4.504 -3.281 1.00 42.52 H new ATOM 0 HG11 VAL A 65 -3.250 4.441 -5.683 1.00 62.52 H new ATOM 0 HG12 VAL A 65 -4.997 4.271 -5.388 1.00 62.52 H new ATOM 0 HG13 VAL A 65 -4.338 5.822 -5.959 1.00 62.52 H new ATOM 0 HG21 VAL A 65 -1.832 5.731 -4.131 1.00 35.33 H new ATOM 0 HG22 VAL A 65 -2.833 7.192 -4.310 1.00 35.33 H new ATOM 0 HG23 VAL A 65 -2.538 6.509 -2.694 1.00 35.33 H new ATOM 928 N GLY A 66 -6.753 7.259 -4.871 1.00 25.55 N ATOM 929 CA GLY A 66 -7.217 8.341 -5.736 1.00 43.44 C ATOM 930 C GLY A 66 -6.500 8.395 -7.084 1.00 54.42 C ATOM 931 O GLY A 66 -6.446 9.447 -7.720 1.00 52.45 O ATOM 0 H GLY A 66 -7.410 6.485 -4.770 1.00 25.55 H new ATOM 0 HA2 GLY A 66 -8.287 8.225 -5.907 1.00 43.44 H new ATOM 0 HA3 GLY A 66 -7.078 9.292 -5.221 1.00 43.44 H new ATOM 935 N GLY A 67 -5.958 7.257 -7.528 1.00 73.54 N ATOM 936 CA GLY A 67 -5.230 7.208 -8.799 1.00 63.41 C ATOM 937 C GLY A 67 -3.919 8.000 -8.794 1.00 60.43 C ATOM 938 O GLY A 67 -3.423 8.396 -9.850 1.00 62.41 O ATOM 0 H GLY A 67 -6.008 6.367 -7.033 1.00 73.54 H new ATOM 0 HA2 GLY A 67 -5.014 6.168 -9.043 1.00 63.41 H new ATOM 0 HA3 GLY A 67 -5.873 7.594 -9.590 1.00 63.41 H new ATOM 942 N ASN A 68 -3.351 8.222 -7.609 1.00 3.51 N ATOM 943 CA ASN A 68 -2.092 8.975 -7.469 1.00 60.44 C ATOM 944 C ASN A 68 -0.851 8.063 -7.559 1.00 24.55 C ATOM 945 O ASN A 68 0.240 8.442 -7.127 1.00 32.54 O ATOM 946 CB ASN A 68 -2.092 9.734 -6.136 1.00 31.34 C ATOM 947 CG ASN A 68 -3.062 10.901 -6.138 1.00 24.20 C ATOM 948 OD1 ASN A 68 -3.255 11.563 -7.154 1.00 44.14 O ATOM 949 ND2 ASN A 68 -3.685 11.159 -5.007 1.00 61.12 N ATOM 0 H ASN A 68 -3.740 7.892 -6.726 1.00 3.51 H new ATOM 0 HA ASN A 68 -2.034 9.679 -8.299 1.00 60.44 H new ATOM 0 HB2 ASN A 68 -2.354 9.048 -5.330 1.00 31.34 H new ATOM 0 HB3 ASN A 68 -1.087 10.100 -5.929 1.00 31.34 H new ATOM 0 HD21 ASN A 68 -4.352 11.929 -4.956 1.00 61.12 H new ATOM 0 HD22 ASN A 68 -3.501 10.589 -4.182 1.00 61.12 H new ATOM 956 N ILE A 69 -1.016 6.873 -8.136 1.00 71.31 N ATOM 957 CA ILE A 69 0.097 5.924 -8.302 1.00 13.43 C ATOM 958 C ILE A 69 0.235 5.466 -9.763 1.00 74.24 C ATOM 959 O ILE A 69 -0.551 5.862 -10.629 1.00 50.43 O ATOM 960 CB ILE A 69 -0.073 4.674 -7.400 1.00 73.25 C ATOM 961 CG1 ILE A 69 -1.399 3.957 -7.706 1.00 74.03 C ATOM 962 CG2 ILE A 69 0.010 5.061 -5.925 1.00 65.11 C ATOM 963 CD1 ILE A 69 -1.607 2.685 -6.912 1.00 50.14 C ATOM 0 H ILE A 69 -1.909 6.538 -8.498 1.00 71.31 H new ATOM 0 HA ILE A 69 0.999 6.458 -8.004 1.00 13.43 H new ATOM 0 HB ILE A 69 0.741 3.982 -7.616 1.00 73.25 H new ATOM 0 HG12 ILE A 69 -2.225 4.639 -7.503 1.00 74.03 H new ATOM 0 HG13 ILE A 69 -1.435 3.720 -8.769 1.00 74.03 H new ATOM 0 HG21 ILE A 69 -0.112 4.171 -5.308 1.00 65.11 H new ATOM 0 HG22 ILE A 69 0.980 5.514 -5.722 1.00 65.11 H new ATOM 0 HG23 ILE A 69 -0.780 5.775 -5.691 1.00 65.11 H new ATOM 0 HD11 ILE A 69 -2.563 2.239 -7.184 1.00 50.14 H new ATOM 0 HD12 ILE A 69 -0.803 1.983 -7.133 1.00 50.14 H new ATOM 0 HD13 ILE A 69 -1.605 2.916 -5.847 1.00 50.14 H new ATOM 975 N GLY A 70 1.236 4.627 -10.026 1.00 15.22 N ATOM 976 CA GLY A 70 1.462 4.115 -11.373 1.00 65.14 C ATOM 977 C GLY A 70 0.505 2.986 -11.752 1.00 4.44 C ATOM 978 O GLY A 70 0.400 1.980 -11.048 1.00 21.51 O ATOM 0 H GLY A 70 1.899 4.290 -9.328 1.00 15.22 H new ATOM 0 HA2 GLY A 70 1.354 4.930 -12.088 1.00 65.14 H new ATOM 0 HA3 GLY A 70 2.488 3.756 -11.452 1.00 65.14 H new ATOM 982 N SER A 71 -0.188 3.152 -12.872 1.00 60.23 N ATOM 983 CA SER A 71 -1.134 2.143 -13.368 1.00 13.12 C ATOM 984 C SER A 71 -0.416 1.005 -14.107 1.00 73.43 C ATOM 985 O SER A 71 -1.005 -0.043 -14.376 1.00 63.44 O ATOM 986 CB SER A 71 -2.143 2.803 -14.310 1.00 10.35 C ATOM 987 OG SER A 71 -1.481 3.428 -15.400 1.00 0.51 O ATOM 0 H SER A 71 -0.116 3.981 -13.463 1.00 60.23 H new ATOM 0 HA SER A 71 -1.647 1.716 -12.506 1.00 13.12 H new ATOM 0 HB2 SER A 71 -2.842 2.055 -14.684 1.00 10.35 H new ATOM 0 HB3 SER A 71 -2.729 3.541 -13.763 1.00 10.35 H new ATOM 0 HG SER A 71 -2.144 3.842 -15.991 1.00 0.51 H new ATOM 993 N THR A 72 0.857 1.221 -14.429 1.00 72.54 N ATOM 994 CA THR A 72 1.658 0.233 -15.170 1.00 72.00 C ATOM 995 C THR A 72 2.475 -0.677 -14.231 1.00 63.20 C ATOM 996 O THR A 72 3.371 -1.393 -14.674 1.00 44.21 O ATOM 997 CB THR A 72 2.618 0.933 -16.169 1.00 52.02 C ATOM 998 OG1 THR A 72 3.383 -0.037 -16.898 1.00 0.14 O ATOM 999 CG2 THR A 72 3.564 1.892 -15.447 1.00 33.50 C ATOM 0 H THR A 72 1.363 2.073 -14.190 1.00 72.54 H new ATOM 0 HA THR A 72 0.951 -0.389 -15.719 1.00 72.00 H new ATOM 0 HB THR A 72 2.006 1.506 -16.866 1.00 52.02 H new ATOM 0 HG1 THR A 72 3.528 -0.828 -16.338 1.00 0.14 H new ATOM 0 HG21 THR A 72 4.224 2.367 -16.173 1.00 33.50 H new ATOM 0 HG22 THR A 72 2.983 2.656 -14.930 1.00 33.50 H new ATOM 0 HG23 THR A 72 4.161 1.338 -14.722 1.00 33.50 H new ATOM 1007 N TRP A 73 2.152 -0.663 -12.938 1.00 2.52 N ATOM 1008 CA TRP A 73 2.883 -1.472 -11.950 1.00 2.25 C ATOM 1009 C TRP A 73 2.483 -2.958 -12.018 1.00 61.32 C ATOM 1010 O TRP A 73 3.297 -3.848 -11.755 1.00 0.44 O ATOM 1011 CB TRP A 73 2.650 -0.913 -10.539 1.00 44.11 C ATOM 1012 CG TRP A 73 3.238 0.460 -10.329 1.00 43.44 C ATOM 1013 CD1 TRP A 73 3.945 1.203 -11.235 1.00 73.41 C ATOM 1014 CD2 TRP A 73 3.175 1.247 -9.131 1.00 11.32 C ATOM 1015 NE1 TRP A 73 4.327 2.395 -10.671 1.00 41.12 N ATOM 1016 CE2 TRP A 73 3.866 2.447 -9.383 1.00 23.31 C ATOM 1017 CE3 TRP A 73 2.605 1.051 -7.870 1.00 24.33 C ATOM 1018 CZ2 TRP A 73 3.998 3.446 -8.420 1.00 51.20 C ATOM 1019 CZ3 TRP A 73 2.735 2.044 -6.917 1.00 22.11 C ATOM 1020 CH2 TRP A 73 3.428 3.226 -7.196 1.00 44.34 C ATOM 0 H TRP A 73 1.393 -0.105 -12.547 1.00 2.52 H new ATOM 0 HA TRP A 73 3.945 -1.413 -12.188 1.00 2.25 H new ATOM 0 HB2 TRP A 73 1.578 -0.874 -10.345 1.00 44.11 H new ATOM 0 HB3 TRP A 73 3.081 -1.599 -9.810 1.00 44.11 H new ATOM 0 HD1 TRP A 73 4.170 0.896 -12.246 1.00 73.41 H new ATOM 0 HE1 TRP A 73 4.867 3.124 -11.137 1.00 41.12 H new ATOM 0 HE3 TRP A 73 2.072 0.139 -7.644 1.00 24.33 H new ATOM 0 HZ2 TRP A 73 4.531 4.361 -8.633 1.00 51.20 H new ATOM 0 HZ3 TRP A 73 2.294 1.905 -5.941 1.00 22.11 H new ATOM 0 HH2 TRP A 73 3.515 3.981 -6.429 1.00 44.34 H new ATOM 1031 N GLY A 74 1.225 -3.220 -12.362 1.00 4.21 N ATOM 1032 CA GLY A 74 0.764 -4.592 -12.568 1.00 74.54 C ATOM 1033 C GLY A 74 0.620 -5.394 -11.270 1.00 43.43 C ATOM 1034 O GLY A 74 -0.164 -5.032 -10.390 1.00 55.53 O ATOM 0 H GLY A 74 0.510 -2.506 -12.503 1.00 4.21 H new ATOM 0 HA2 GLY A 74 -0.198 -4.570 -13.080 1.00 74.54 H new ATOM 0 HA3 GLY A 74 1.464 -5.106 -13.227 1.00 74.54 H new ATOM 1038 N ASN A 75 1.387 -6.484 -11.155 1.00 73.54 N ATOM 1039 CA ASN A 75 1.305 -7.388 -9.995 1.00 22.44 C ATOM 1040 C ASN A 75 1.583 -6.658 -8.673 1.00 23.51 C ATOM 1041 O ASN A 75 2.503 -5.850 -8.580 1.00 44.04 O ATOM 1042 CB ASN A 75 2.290 -8.552 -10.162 1.00 11.42 C ATOM 1043 CG ASN A 75 2.009 -9.366 -11.409 1.00 4.13 C ATOM 1044 OD1 ASN A 75 2.502 -9.058 -12.487 1.00 75.44 O ATOM 1045 ND2 ASN A 75 1.215 -10.409 -11.280 1.00 51.33 N ATOM 0 H ASN A 75 2.076 -6.765 -11.853 1.00 73.54 H new ATOM 0 HA ASN A 75 0.285 -7.771 -9.954 1.00 22.44 H new ATOM 0 HB2 ASN A 75 3.307 -8.162 -10.207 1.00 11.42 H new ATOM 0 HB3 ASN A 75 2.235 -9.200 -9.287 1.00 11.42 H new ATOM 0 HD21 ASN A 75 0.995 -10.986 -12.092 1.00 51.33 H new ATOM 0 HD22 ASN A 75 0.820 -10.640 -10.368 1.00 51.33 H new ATOM 1052 N ALA A 76 0.790 -6.968 -7.650 1.00 60.54 N ATOM 1053 CA ALA A 76 0.910 -6.318 -6.340 1.00 22.12 C ATOM 1054 C ALA A 76 2.328 -6.433 -5.758 1.00 15.15 C ATOM 1055 O ALA A 76 2.871 -5.462 -5.238 1.00 62.25 O ATOM 1056 CB ALA A 76 -0.110 -6.902 -5.377 1.00 61.20 C ATOM 0 H ALA A 76 0.052 -7.670 -7.701 1.00 60.54 H new ATOM 0 HA ALA A 76 0.710 -5.256 -6.481 1.00 22.12 H new ATOM 0 HB1 ALA A 76 -0.015 -6.415 -4.407 1.00 61.20 H new ATOM 0 HB2 ALA A 76 -1.114 -6.739 -5.768 1.00 61.20 H new ATOM 0 HB3 ALA A 76 0.067 -7.972 -5.265 1.00 61.20 H new ATOM 1062 N ASN A 77 2.932 -7.615 -5.877 1.00 21.52 N ATOM 1063 CA ASN A 77 4.290 -7.852 -5.358 1.00 30.52 C ATOM 1064 C ASN A 77 5.369 -7.078 -6.146 1.00 64.31 C ATOM 1065 O ASN A 77 6.551 -7.123 -5.801 1.00 72.10 O ATOM 1066 CB ASN A 77 4.604 -9.357 -5.351 1.00 44.24 C ATOM 1067 CG ASN A 77 4.302 -10.039 -6.676 1.00 23.45 C ATOM 1068 OD1 ASN A 77 4.334 -9.421 -7.735 1.00 74.31 O ATOM 1069 ND2 ASN A 77 4.001 -11.321 -6.625 1.00 22.42 N ATOM 0 H ASN A 77 2.508 -8.426 -6.327 1.00 21.52 H new ATOM 0 HA ASN A 77 4.313 -7.475 -4.336 1.00 30.52 H new ATOM 0 HB2 ASN A 77 5.657 -9.501 -5.108 1.00 44.24 H new ATOM 0 HB3 ASN A 77 4.026 -9.838 -4.562 1.00 44.24 H new ATOM 0 HD21 ASN A 77 3.786 -11.829 -7.483 1.00 22.42 H new ATOM 0 HD22 ASN A 77 3.983 -11.805 -5.728 1.00 22.42 H new ATOM 1076 N ASN A 78 4.957 -6.369 -7.198 1.00 42.02 N ATOM 1077 CA ASN A 78 5.878 -5.556 -8.010 1.00 32.13 C ATOM 1078 C ASN A 78 5.787 -4.061 -7.643 1.00 55.11 C ATOM 1079 O ASN A 78 6.623 -3.259 -8.057 1.00 0.30 O ATOM 1080 CB ASN A 78 5.550 -5.737 -9.501 1.00 53.42 C ATOM 1081 CG ASN A 78 6.533 -5.028 -10.419 1.00 60.11 C ATOM 1082 OD1 ASN A 78 7.728 -4.971 -10.151 1.00 50.30 O ATOM 1083 ND2 ASN A 78 6.037 -4.466 -11.502 1.00 21.15 N ATOM 0 H ASN A 78 3.987 -6.338 -7.513 1.00 42.02 H new ATOM 0 HA ASN A 78 6.894 -5.895 -7.806 1.00 32.13 H new ATOM 0 HB2 ASN A 78 5.543 -6.801 -9.739 1.00 53.42 H new ATOM 0 HB3 ASN A 78 4.545 -5.360 -9.694 1.00 53.42 H new ATOM 0 HD21 ASN A 78 6.652 -3.966 -12.145 1.00 21.15 H new ATOM 0 HD22 ASN A 78 5.038 -4.530 -11.698 1.00 21.15 H new ATOM 1090 N TRP A 79 4.787 -3.693 -6.841 1.00 70.35 N ATOM 1091 CA TRP A 79 4.495 -2.276 -6.564 1.00 62.44 C ATOM 1092 C TRP A 79 5.664 -1.542 -5.880 1.00 1.42 C ATOM 1093 O TRP A 79 5.912 -0.369 -6.157 1.00 55.42 O ATOM 1094 CB TRP A 79 3.219 -2.146 -5.721 1.00 61.21 C ATOM 1095 CG TRP A 79 1.953 -2.315 -6.513 1.00 40.34 C ATOM 1096 CD1 TRP A 79 1.776 -3.081 -7.633 1.00 41.32 C ATOM 1097 CD2 TRP A 79 0.688 -1.699 -6.246 1.00 15.24 C ATOM 1098 NE1 TRP A 79 0.482 -2.975 -8.077 1.00 63.23 N ATOM 1099 CE2 TRP A 79 -0.205 -2.133 -7.245 1.00 13.32 C ATOM 1100 CE3 TRP A 79 0.224 -0.821 -5.263 1.00 52.31 C ATOM 1101 CZ2 TRP A 79 -1.532 -1.721 -7.285 1.00 34.02 C ATOM 1102 CZ3 TRP A 79 -1.096 -0.413 -5.305 1.00 53.25 C ATOM 1103 CH2 TRP A 79 -1.960 -0.864 -6.311 1.00 62.25 C ATOM 0 H TRP A 79 4.164 -4.350 -6.371 1.00 70.35 H new ATOM 0 HA TRP A 79 4.344 -1.795 -7.530 1.00 62.44 H new ATOM 0 HB2 TRP A 79 3.242 -2.891 -4.926 1.00 61.21 H new ATOM 0 HB3 TRP A 79 3.209 -1.167 -5.241 1.00 61.21 H new ATOM 0 HD1 TRP A 79 2.543 -3.681 -8.099 1.00 41.32 H new ATOM 0 HE1 TRP A 79 0.095 -3.447 -8.894 1.00 63.23 H new ATOM 0 HE3 TRP A 79 0.884 -0.468 -4.485 1.00 52.31 H new ATOM 0 HZ2 TRP A 79 -2.201 -2.066 -8.059 1.00 34.02 H new ATOM 0 HZ3 TRP A 79 -1.467 0.264 -4.550 1.00 53.25 H new ATOM 0 HH2 TRP A 79 -2.986 -0.527 -6.317 1.00 62.25 H new ATOM 1114 N ALA A 80 6.381 -2.228 -4.992 1.00 75.14 N ATOM 1115 CA ALA A 80 7.522 -1.617 -4.296 1.00 3.32 C ATOM 1116 C ALA A 80 8.681 -1.340 -5.266 1.00 13.24 C ATOM 1117 O ALA A 80 9.216 -0.229 -5.320 1.00 61.20 O ATOM 1118 CB ALA A 80 7.979 -2.512 -3.147 1.00 55.40 C ATOM 0 H ALA A 80 6.198 -3.198 -4.736 1.00 75.14 H new ATOM 0 HA ALA A 80 7.199 -0.660 -3.886 1.00 3.32 H new ATOM 0 HB1 ALA A 80 8.825 -2.049 -2.639 1.00 55.40 H new ATOM 0 HB2 ALA A 80 7.159 -2.644 -2.441 1.00 55.40 H new ATOM 0 HB3 ALA A 80 8.279 -3.483 -3.540 1.00 55.40 H new ATOM 1124 N SER A 81 9.051 -2.358 -6.042 1.00 11.22 N ATOM 1125 CA SER A 81 10.112 -2.229 -7.050 1.00 44.23 C ATOM 1126 C SER A 81 9.749 -1.180 -8.109 1.00 22.22 C ATOM 1127 O SER A 81 10.563 -0.324 -8.460 1.00 62.03 O ATOM 1128 CB SER A 81 10.365 -3.582 -7.732 1.00 53.21 C ATOM 1129 OG SER A 81 11.366 -3.479 -8.733 1.00 65.44 O ATOM 0 H SER A 81 8.632 -3.287 -5.994 1.00 11.22 H new ATOM 0 HA SER A 81 11.018 -1.904 -6.539 1.00 44.23 H new ATOM 0 HB2 SER A 81 10.669 -4.316 -6.986 1.00 53.21 H new ATOM 0 HB3 SER A 81 9.439 -3.945 -8.178 1.00 53.21 H new ATOM 0 HG SER A 81 11.506 -4.356 -9.148 1.00 65.44 H new ATOM 1135 N ALA A 82 8.516 -1.253 -8.607 1.00 54.42 N ATOM 1136 CA ALA A 82 8.021 -0.305 -9.608 1.00 62.11 C ATOM 1137 C ALA A 82 8.045 1.139 -9.081 1.00 15.04 C ATOM 1138 O ALA A 82 8.607 2.027 -9.715 1.00 31.41 O ATOM 1139 CB ALA A 82 6.612 -0.692 -10.042 1.00 33.54 C ATOM 0 H ALA A 82 7.837 -1.963 -8.333 1.00 54.42 H new ATOM 0 HA ALA A 82 8.685 -0.349 -10.471 1.00 62.11 H new ATOM 0 HB1 ALA A 82 6.252 0.019 -10.786 1.00 33.54 H new ATOM 0 HB2 ALA A 82 6.626 -1.693 -10.473 1.00 33.54 H new ATOM 0 HB3 ALA A 82 5.948 -0.679 -9.177 1.00 33.54 H new ATOM 1145 N ALA A 83 7.443 1.361 -7.910 1.00 1.32 N ATOM 1146 CA ALA A 83 7.432 2.686 -7.273 1.00 64.42 C ATOM 1147 C ALA A 83 8.851 3.257 -7.127 1.00 3.21 C ATOM 1148 O ALA A 83 9.106 4.412 -7.474 1.00 51.22 O ATOM 1149 CB ALA A 83 6.750 2.606 -5.913 1.00 62.44 C ATOM 0 H ALA A 83 6.954 0.639 -7.380 1.00 1.32 H new ATOM 0 HA ALA A 83 6.870 3.362 -7.917 1.00 64.42 H new ATOM 0 HB1 ALA A 83 6.747 3.592 -5.449 1.00 62.44 H new ATOM 0 HB2 ALA A 83 5.724 2.262 -6.040 1.00 62.44 H new ATOM 0 HB3 ALA A 83 7.291 1.907 -5.275 1.00 62.44 H new ATOM 1155 N SER A 84 9.769 2.431 -6.627 1.00 74.31 N ATOM 1156 CA SER A 84 11.174 2.832 -6.467 1.00 72.21 C ATOM 1157 C SER A 84 11.796 3.224 -7.815 1.00 2.11 C ATOM 1158 O SER A 84 12.377 4.303 -7.957 1.00 62.51 O ATOM 1159 CB SER A 84 11.978 1.689 -5.832 1.00 34.11 C ATOM 1160 OG SER A 84 13.330 2.060 -5.608 1.00 22.50 O ATOM 0 H SER A 84 9.569 1.478 -6.324 1.00 74.31 H new ATOM 0 HA SER A 84 11.205 3.703 -5.812 1.00 72.21 H new ATOM 0 HB2 SER A 84 11.518 1.402 -4.887 1.00 34.11 H new ATOM 0 HB3 SER A 84 11.943 0.815 -6.482 1.00 34.11 H new ATOM 0 HG SER A 84 13.812 1.310 -5.202 1.00 22.50 H new ATOM 1166 N SER A 85 11.649 2.350 -8.811 1.00 33.23 N ATOM 1167 CA SER A 85 12.170 2.607 -10.167 1.00 4.23 C ATOM 1168 C SER A 85 11.398 3.731 -10.884 1.00 54.05 C ATOM 1169 O SER A 85 11.889 4.319 -11.851 1.00 23.23 O ATOM 1170 CB SER A 85 12.106 1.326 -11.011 1.00 12.41 C ATOM 1171 OG SER A 85 12.529 1.562 -12.348 1.00 42.11 O ATOM 0 H SER A 85 11.173 1.454 -8.710 1.00 33.23 H new ATOM 0 HA SER A 85 13.205 2.929 -10.056 1.00 4.23 H new ATOM 0 HB2 SER A 85 12.735 0.559 -10.559 1.00 12.41 H new ATOM 0 HB3 SER A 85 11.086 0.941 -11.013 1.00 12.41 H new ATOM 0 HG SER A 85 12.478 0.727 -12.859 1.00 42.11 H new ATOM 1177 N ALA A 86 10.185 4.018 -10.415 1.00 71.14 N ATOM 1178 CA ALA A 86 9.341 5.066 -11.006 1.00 41.01 C ATOM 1179 C ALA A 86 9.740 6.469 -10.524 1.00 34.33 C ATOM 1180 O ALA A 86 9.677 7.438 -11.283 1.00 21.33 O ATOM 1181 CB ALA A 86 7.874 4.801 -10.686 1.00 51.13 C ATOM 0 H ALA A 86 9.759 3.538 -9.622 1.00 71.14 H new ATOM 0 HA ALA A 86 9.490 5.035 -12.085 1.00 41.01 H new ATOM 0 HB1 ALA A 86 7.258 5.584 -11.129 1.00 51.13 H new ATOM 0 HB2 ALA A 86 7.581 3.834 -11.095 1.00 51.13 H new ATOM 0 HB3 ALA A 86 7.733 4.796 -9.605 1.00 51.13 H new ATOM 1187 N GLY A 87 10.146 6.572 -9.261 1.00 75.42 N ATOM 1188 CA GLY A 87 10.514 7.867 -8.692 1.00 11.34 C ATOM 1189 C GLY A 87 9.764 8.192 -7.405 1.00 21.01 C ATOM 1190 O GLY A 87 9.855 9.310 -6.889 1.00 32.03 O ATOM 0 H GLY A 87 10.228 5.785 -8.618 1.00 75.42 H new ATOM 0 HA2 GLY A 87 11.586 7.878 -8.493 1.00 11.34 H new ATOM 0 HA3 GLY A 87 10.318 8.648 -9.426 1.00 11.34 H new ATOM 1194 N TYR A 88 9.021 7.215 -6.889 1.00 11.23 N ATOM 1195 CA TYR A 88 8.302 7.368 -5.620 1.00 31.11 C ATOM 1196 C TYR A 88 9.243 7.168 -4.421 1.00 63.12 C ATOM 1197 O TYR A 88 10.462 7.067 -4.576 1.00 42.41 O ATOM 1198 CB TYR A 88 7.137 6.369 -5.547 1.00 25.03 C ATOM 1199 CG TYR A 88 5.924 6.767 -6.371 1.00 51.21 C ATOM 1200 CD1 TYR A 88 5.994 6.866 -7.758 1.00 31.22 C ATOM 1201 CD2 TYR A 88 4.708 7.050 -5.755 1.00 54.15 C ATOM 1202 CE1 TYR A 88 4.888 7.234 -8.503 1.00 50.33 C ATOM 1203 CE2 TYR A 88 3.601 7.418 -6.496 1.00 31.34 C ATOM 1204 CZ TYR A 88 3.695 7.508 -7.866 1.00 15.44 C ATOM 1205 OH TYR A 88 2.592 7.880 -8.603 1.00 3.31 O ATOM 0 H TYR A 88 8.899 6.304 -7.331 1.00 11.23 H new ATOM 0 HA TYR A 88 7.907 8.383 -5.577 1.00 31.11 H new ATOM 0 HB2 TYR A 88 7.488 5.394 -5.884 1.00 25.03 H new ATOM 0 HB3 TYR A 88 6.834 6.256 -4.506 1.00 25.03 H new ATOM 0 HD1 TYR A 88 6.926 6.652 -8.260 1.00 31.22 H new ATOM 0 HD2 TYR A 88 4.628 6.981 -4.680 1.00 54.15 H new ATOM 0 HE1 TYR A 88 4.958 7.307 -9.578 1.00 50.33 H new ATOM 0 HE2 TYR A 88 2.665 7.634 -6.002 1.00 31.34 H new ATOM 0 HH TYR A 88 1.904 8.238 -8.004 1.00 3.31 H new ATOM 1215 N THR A 89 8.668 7.107 -3.225 1.00 63.11 N ATOM 1216 CA THR A 89 9.458 6.954 -1.991 1.00 11.44 C ATOM 1217 C THR A 89 9.043 5.698 -1.214 1.00 21.23 C ATOM 1218 O THR A 89 8.132 5.735 -0.386 1.00 53.12 O ATOM 1219 CB THR A 89 9.321 8.197 -1.075 1.00 25.41 C ATOM 1220 OG1 THR A 89 9.689 9.380 -1.804 1.00 42.10 O ATOM 1221 CG2 THR A 89 10.199 8.075 0.169 1.00 23.32 C ATOM 0 H THR A 89 7.660 7.160 -3.075 1.00 63.11 H new ATOM 0 HA THR A 89 10.500 6.853 -2.293 1.00 11.44 H new ATOM 0 HB THR A 89 8.281 8.263 -0.754 1.00 25.41 H new ATOM 0 HG1 THR A 89 9.600 10.164 -1.222 1.00 42.10 H new ATOM 0 HG21 THR A 89 10.078 8.964 0.788 1.00 23.32 H new ATOM 0 HG22 THR A 89 9.904 7.193 0.738 1.00 23.32 H new ATOM 0 HG23 THR A 89 11.243 7.981 -0.130 1.00 23.32 H new ATOM 1229 N VAL A 90 9.710 4.578 -1.492 1.00 74.11 N ATOM 1230 CA VAL A 90 9.374 3.293 -0.859 1.00 51.44 C ATOM 1231 C VAL A 90 10.187 3.074 0.426 1.00 73.11 C ATOM 1232 O VAL A 90 11.380 2.768 0.378 1.00 33.11 O ATOM 1233 CB VAL A 90 9.621 2.106 -1.825 1.00 54.15 C ATOM 1234 CG1 VAL A 90 9.197 0.780 -1.187 1.00 0.43 C ATOM 1235 CG2 VAL A 90 8.895 2.331 -3.149 1.00 73.51 C ATOM 0 H VAL A 90 10.487 4.530 -2.151 1.00 74.11 H new ATOM 0 HA VAL A 90 8.314 3.333 -0.608 1.00 51.44 H new ATOM 0 HB VAL A 90 10.691 2.051 -2.027 1.00 54.15 H new ATOM 0 HG11 VAL A 90 9.381 -0.036 -1.886 1.00 0.43 H new ATOM 0 HG12 VAL A 90 9.772 0.614 -0.276 1.00 0.43 H new ATOM 0 HG13 VAL A 90 8.135 0.816 -0.944 1.00 0.43 H new ATOM 0 HG21 VAL A 90 9.081 1.487 -3.814 1.00 73.51 H new ATOM 0 HG22 VAL A 90 7.824 2.420 -2.966 1.00 73.51 H new ATOM 0 HG23 VAL A 90 9.261 3.246 -3.614 1.00 73.51 H new ATOM 1245 N ASN A 91 9.535 3.231 1.575 1.00 4.15 N ATOM 1246 CA ASN A 91 10.205 3.069 2.873 1.00 14.43 C ATOM 1247 C ASN A 91 9.448 2.079 3.769 1.00 73.32 C ATOM 1248 O ASN A 91 8.269 1.803 3.550 1.00 50.01 O ATOM 1249 CB ASN A 91 10.322 4.421 3.596 1.00 74.43 C ATOM 1250 CG ASN A 91 11.082 5.465 2.800 1.00 64.22 C ATOM 1251 OD1 ASN A 91 11.917 5.150 1.961 1.00 31.40 O ATOM 1252 ND2 ASN A 91 10.819 6.726 3.076 1.00 20.32 N ATOM 0 H ASN A 91 8.545 3.470 1.639 1.00 4.15 H new ATOM 0 HA ASN A 91 11.203 2.675 2.678 1.00 14.43 H new ATOM 0 HB2 ASN A 91 9.322 4.797 3.813 1.00 74.43 H new ATOM 0 HB3 ASN A 91 10.820 4.271 4.554 1.00 74.43 H new ATOM 0 HD21 ASN A 91 11.316 7.470 2.586 1.00 20.32 H new ATOM 0 HD22 ASN A 91 10.118 6.959 3.780 1.00 20.32 H new ATOM 1259 N ASN A 92 10.127 1.557 4.786 1.00 24.52 N ATOM 1260 CA ASN A 92 9.478 0.688 5.777 1.00 22.21 C ATOM 1261 C ASN A 92 8.798 1.521 6.879 1.00 21.30 C ATOM 1262 O ASN A 92 8.321 0.985 7.879 1.00 14.40 O ATOM 1263 CB ASN A 92 10.497 -0.287 6.383 1.00 24.34 C ATOM 1264 CG ASN A 92 11.006 -1.289 5.357 1.00 43.15 C ATOM 1265 OD1 ASN A 92 12.007 -1.057 4.685 1.00 2.24 O ATOM 1266 ND2 ASN A 92 10.327 -2.414 5.225 1.00 71.22 N ATOM 0 H ASN A 92 11.121 1.716 4.950 1.00 24.52 H new ATOM 0 HA ASN A 92 8.706 0.110 5.270 1.00 22.21 H new ATOM 0 HB2 ASN A 92 11.338 0.274 6.790 1.00 24.34 H new ATOM 0 HB3 ASN A 92 10.038 -0.821 7.215 1.00 24.34 H new ATOM 0 HD21 ASN A 92 10.631 -3.117 4.551 1.00 71.22 H new ATOM 0 HD22 ASN A 92 9.499 -2.580 5.797 1.00 71.22 H new ATOM 1273 N SER A 93 8.770 2.842 6.690 1.00 3.20 N ATOM 1274 CA SER A 93 8.047 3.746 7.596 1.00 14.05 C ATOM 1275 C SER A 93 6.525 3.618 7.404 1.00 11.43 C ATOM 1276 O SER A 93 5.990 4.022 6.366 1.00 41.22 O ATOM 1277 CB SER A 93 8.475 5.200 7.356 1.00 25.13 C ATOM 1278 OG SER A 93 9.872 5.365 7.551 1.00 5.30 O ATOM 0 H SER A 93 9.240 3.313 5.917 1.00 3.20 H new ATOM 0 HA SER A 93 8.295 3.462 8.619 1.00 14.05 H new ATOM 0 HB2 SER A 93 8.210 5.497 6.341 1.00 25.13 H new ATOM 0 HB3 SER A 93 7.931 5.858 8.033 1.00 25.13 H new ATOM 0 HG SER A 93 10.117 6.300 7.390 1.00 5.30 H new ATOM 1284 N PRO A 94 5.802 3.088 8.416 1.00 22.12 N ATOM 1285 CA PRO A 94 4.360 2.777 8.301 1.00 54.54 C ATOM 1286 C PRO A 94 3.434 4.005 8.383 1.00 41.44 C ATOM 1287 O PRO A 94 2.254 3.872 8.699 1.00 53.14 O ATOM 1288 CB PRO A 94 4.127 1.846 9.493 1.00 43.23 C ATOM 1289 CG PRO A 94 5.109 2.299 10.518 1.00 34.43 C ATOM 1290 CD PRO A 94 6.332 2.741 9.753 1.00 31.22 C ATOM 0 HA PRO A 94 4.123 2.350 7.327 1.00 54.54 H new ATOM 0 HB2 PRO A 94 3.104 1.922 9.862 1.00 43.23 H new ATOM 0 HB3 PRO A 94 4.290 0.803 9.220 1.00 43.23 H new ATOM 0 HG2 PRO A 94 4.703 3.118 11.112 1.00 34.43 H new ATOM 0 HG3 PRO A 94 5.352 1.492 11.210 1.00 34.43 H new ATOM 0 HD2 PRO A 94 6.814 3.596 10.227 1.00 31.22 H new ATOM 0 HD3 PRO A 94 7.077 1.947 9.695 1.00 31.22 H new ATOM 1298 N GLU A 95 3.968 5.183 8.081 1.00 62.11 N ATOM 1299 CA GLU A 95 3.200 6.436 8.123 1.00 50.25 C ATOM 1300 C GLU A 95 1.996 6.405 7.156 1.00 54.44 C ATOM 1301 O GLU A 95 2.054 5.792 6.086 1.00 13.01 O ATOM 1302 CB GLU A 95 4.136 7.608 7.797 1.00 15.34 C ATOM 1303 CG GLU A 95 3.513 8.988 7.978 1.00 15.13 C ATOM 1304 CD GLU A 95 4.527 10.108 7.792 1.00 4.41 C ATOM 1305 OE1 GLU A 95 5.200 10.478 8.780 1.00 34.23 O ATOM 1306 OE2 GLU A 95 4.674 10.605 6.657 1.00 24.23 O ATOM 0 H GLU A 95 4.941 5.303 7.800 1.00 62.11 H new ATOM 0 HA GLU A 95 2.792 6.562 9.126 1.00 50.25 H new ATOM 0 HB2 GLU A 95 5.020 7.537 8.431 1.00 15.34 H new ATOM 0 HB3 GLU A 95 4.475 7.509 6.766 1.00 15.34 H new ATOM 0 HG2 GLU A 95 2.700 9.114 7.263 1.00 15.13 H new ATOM 0 HG3 GLU A 95 3.075 9.059 8.974 1.00 15.13 H new ATOM 1313 N ALA A 96 0.913 7.082 7.546 1.00 75.20 N ATOM 1314 CA ALA A 96 -0.358 7.036 6.807 1.00 75.24 C ATOM 1315 C ALA A 96 -0.306 7.786 5.461 1.00 40.12 C ATOM 1316 O ALA A 96 0.611 8.566 5.193 1.00 24.00 O ATOM 1317 CB ALA A 96 -1.486 7.592 7.674 1.00 71.10 C ATOM 0 H ALA A 96 0.888 7.674 8.376 1.00 75.20 H new ATOM 0 HA ALA A 96 -0.547 5.988 6.573 1.00 75.24 H new ATOM 0 HB1 ALA A 96 -2.424 7.554 7.119 1.00 71.10 H new ATOM 0 HB2 ALA A 96 -1.577 6.994 8.581 1.00 71.10 H new ATOM 0 HB3 ALA A 96 -1.264 8.625 7.941 1.00 71.10 H new ATOM 1323 N GLY A 97 -1.320 7.549 4.627 1.00 53.23 N ATOM 1324 CA GLY A 97 -1.377 8.164 3.304 1.00 14.30 C ATOM 1325 C GLY A 97 -0.481 7.463 2.282 1.00 52.42 C ATOM 1326 O GLY A 97 0.037 8.093 1.358 1.00 71.23 O ATOM 0 H GLY A 97 -2.108 6.939 4.844 1.00 53.23 H new ATOM 0 HA2 GLY A 97 -2.407 8.150 2.947 1.00 14.30 H new ATOM 0 HA3 GLY A 97 -1.081 9.210 3.382 1.00 14.30 H new ATOM 1330 N SER A 98 -0.301 6.155 2.448 1.00 3.50 N ATOM 1331 CA SER A 98 0.571 5.363 1.565 1.00 33.24 C ATOM 1332 C SER A 98 0.035 3.934 1.388 1.00 44.22 C ATOM 1333 O SER A 98 -0.896 3.521 2.076 1.00 73.32 O ATOM 1334 CB SER A 98 1.999 5.316 2.134 1.00 15.25 C ATOM 1335 OG SER A 98 2.573 6.617 2.216 1.00 71.12 O ATOM 0 H SER A 98 -0.747 5.613 3.188 1.00 3.50 H new ATOM 0 HA SER A 98 0.585 5.846 0.588 1.00 33.24 H new ATOM 0 HB2 SER A 98 1.982 4.862 3.125 1.00 15.25 H new ATOM 0 HB3 SER A 98 2.622 4.682 1.503 1.00 15.25 H new ATOM 0 HG SER A 98 3.507 6.545 2.505 1.00 71.12 H new ATOM 1341 N ILE A 99 0.629 3.184 0.463 1.00 33.43 N ATOM 1342 CA ILE A 99 0.238 1.789 0.216 1.00 75.32 C ATOM 1343 C ILE A 99 1.315 0.835 0.743 1.00 4.40 C ATOM 1344 O ILE A 99 2.500 1.047 0.497 1.00 53.21 O ATOM 1345 CB ILE A 99 0.029 1.498 -1.302 1.00 3.13 C ATOM 1346 CG1 ILE A 99 -0.946 2.508 -1.947 1.00 65.04 C ATOM 1347 CG2 ILE A 99 -0.465 0.064 -1.512 1.00 3.42 C ATOM 1348 CD1 ILE A 99 -0.330 3.867 -2.233 1.00 3.34 C ATOM 0 H ILE A 99 1.387 3.517 -0.133 1.00 33.43 H new ATOM 0 HA ILE A 99 -0.706 1.631 0.737 1.00 75.32 H new ATOM 0 HB ILE A 99 0.994 1.611 -1.795 1.00 3.13 H new ATOM 0 HG12 ILE A 99 -1.323 2.088 -2.880 1.00 65.04 H new ATOM 0 HG13 ILE A 99 -1.804 2.641 -1.288 1.00 65.04 H new ATOM 0 HG21 ILE A 99 -0.605 -0.120 -2.577 1.00 3.42 H new ATOM 0 HG22 ILE A 99 0.271 -0.636 -1.116 1.00 3.42 H new ATOM 0 HG23 ILE A 99 -1.413 -0.074 -0.992 1.00 3.42 H new ATOM 0 HD11 ILE A 99 -1.078 4.518 -2.685 1.00 3.34 H new ATOM 0 HD12 ILE A 99 0.022 4.310 -1.301 1.00 3.34 H new ATOM 0 HD13 ILE A 99 0.509 3.749 -2.918 1.00 3.34 H new ATOM 1360 N LEU A 100 0.924 -0.217 1.463 1.00 35.34 N ATOM 1361 CA LEU A 100 1.905 -1.195 1.948 1.00 53.20 C ATOM 1362 C LEU A 100 1.948 -2.432 1.037 1.00 53.42 C ATOM 1363 O LEU A 100 1.019 -3.241 0.990 1.00 73.42 O ATOM 1364 CB LEU A 100 1.655 -1.590 3.423 1.00 64.15 C ATOM 1365 CG LEU A 100 0.532 -2.607 3.708 1.00 30.31 C ATOM 1366 CD1 LEU A 100 0.494 -2.960 5.191 1.00 22.41 C ATOM 1367 CD2 LEU A 100 -0.824 -2.078 3.254 1.00 5.02 C ATOM 0 H LEU A 100 -0.043 -0.414 1.720 1.00 35.34 H new ATOM 0 HA LEU A 100 2.883 -0.715 1.911 1.00 53.20 H new ATOM 0 HB2 LEU A 100 2.584 -1.994 3.825 1.00 64.15 H new ATOM 0 HB3 LEU A 100 1.435 -0.680 3.982 1.00 64.15 H new ATOM 0 HG LEU A 100 0.748 -3.510 3.137 1.00 30.31 H new ATOM 0 HD11 LEU A 100 -0.305 -3.679 5.374 1.00 22.41 H new ATOM 0 HD12 LEU A 100 1.449 -3.396 5.486 1.00 22.41 H new ATOM 0 HD13 LEU A 100 0.311 -2.058 5.775 1.00 22.41 H new ATOM 0 HD21 LEU A 100 -1.594 -2.819 3.469 1.00 5.02 H new ATOM 0 HD22 LEU A 100 -1.051 -1.154 3.786 1.00 5.02 H new ATOM 0 HD23 LEU A 100 -0.798 -1.883 2.182 1.00 5.02 H new ATOM 1379 N GLN A 101 3.028 -2.544 0.279 1.00 41.44 N ATOM 1380 CA GLN A 101 3.245 -3.685 -0.600 1.00 53.15 C ATOM 1381 C GLN A 101 3.602 -4.923 0.233 1.00 72.05 C ATOM 1382 O GLN A 101 4.746 -5.090 0.673 1.00 22.43 O ATOM 1383 CB GLN A 101 4.350 -3.350 -1.619 1.00 45.43 C ATOM 1384 CG GLN A 101 4.333 -4.213 -2.876 1.00 22.41 C ATOM 1385 CD GLN A 101 4.940 -5.589 -2.684 1.00 12.04 C ATOM 1386 OE1 GLN A 101 4.268 -6.533 -2.289 1.00 50.01 O ATOM 1387 NE2 GLN A 101 6.217 -5.720 -2.979 1.00 43.00 N ATOM 0 H GLN A 101 3.776 -1.851 0.255 1.00 41.44 H new ATOM 0 HA GLN A 101 2.332 -3.906 -1.152 1.00 53.15 H new ATOM 0 HB2 GLN A 101 4.253 -2.304 -1.910 1.00 45.43 H new ATOM 0 HB3 GLN A 101 5.320 -3.457 -1.133 1.00 45.43 H new ATOM 0 HG2 GLN A 101 3.303 -4.325 -3.214 1.00 22.41 H new ATOM 0 HG3 GLN A 101 4.874 -3.695 -3.668 1.00 22.41 H new ATOM 0 HE21 GLN A 101 6.750 -4.914 -3.306 1.00 43.00 H new ATOM 0 HE22 GLN A 101 6.673 -6.627 -2.881 1.00 43.00 H new ATOM 1396 N SER A 102 2.603 -5.766 0.463 1.00 51.34 N ATOM 1397 CA SER A 102 2.735 -6.928 1.345 1.00 11.21 C ATOM 1398 C SER A 102 3.110 -8.189 0.563 1.00 5.12 C ATOM 1399 O SER A 102 2.274 -8.792 -0.108 1.00 41.23 O ATOM 1400 CB SER A 102 1.419 -7.159 2.109 1.00 74.50 C ATOM 1401 OG SER A 102 1.065 -6.017 2.878 1.00 74.53 O ATOM 0 H SER A 102 1.678 -5.667 0.046 1.00 51.34 H new ATOM 0 HA SER A 102 3.538 -6.721 2.052 1.00 11.21 H new ATOM 0 HB2 SER A 102 0.621 -7.387 1.403 1.00 74.50 H new ATOM 0 HB3 SER A 102 1.522 -8.024 2.764 1.00 74.50 H new ATOM 0 HG SER A 102 1.701 -5.909 3.616 1.00 74.53 H new ATOM 1466 N GLY A 108 1.031 -11.900 -3.684 1.00 44.31 N ATOM 1467 CA GLY A 108 1.341 -10.478 -3.581 1.00 23.13 C ATOM 1468 C GLY A 108 0.123 -9.649 -3.186 1.00 75.34 C ATOM 1469 O GLY A 108 -0.821 -9.515 -3.965 1.00 42.15 O ATOM 0 HA2 GLY A 108 2.131 -10.333 -2.845 1.00 23.13 H new ATOM 0 HA3 GLY A 108 1.726 -10.122 -4.536 1.00 23.13 H new ATOM 1473 N HIS A 109 0.140 -9.088 -1.981 1.00 25.55 N ATOM 1474 CA HIS A 109 -0.994 -8.309 -1.473 1.00 24.15 C ATOM 1475 C HIS A 109 -0.648 -6.819 -1.329 1.00 75.53 C ATOM 1476 O HIS A 109 0.488 -6.457 -1.034 1.00 72.11 O ATOM 1477 CB HIS A 109 -1.449 -8.872 -0.121 1.00 3.51 C ATOM 1478 CG HIS A 109 -2.507 -8.042 0.540 1.00 70.30 C ATOM 1479 ND1 HIS A 109 -3.699 -7.785 -0.087 1.00 33.31 N ATOM 1480 CD2 HIS A 109 -2.493 -7.412 1.740 1.00 60.34 C ATOM 1481 CE1 HIS A 109 -4.379 -7.009 0.732 1.00 43.52 C ATOM 1482 NE2 HIS A 109 -3.691 -6.754 1.856 1.00 4.51 N ATOM 0 H HIS A 109 0.926 -9.156 -1.334 1.00 25.55 H new ATOM 0 HA HIS A 109 -1.803 -8.391 -2.198 1.00 24.15 H new ATOM 0 HB2 HIS A 109 -1.828 -9.884 -0.265 1.00 3.51 H new ATOM 0 HB3 HIS A 109 -0.587 -8.946 0.543 1.00 3.51 H new ATOM 0 HD1 HIS A 109 -3.998 -8.125 -1.001 1.00 33.31 H new ATOM 0 HD2 HIS A 109 -1.693 -7.425 2.465 1.00 60.34 H new ATOM 0 HE1 HIS A 109 -5.367 -6.626 0.525 1.00 43.52 H new ATOM 1490 N VAL A 110 -1.644 -5.963 -1.540 1.00 63.23 N ATOM 1491 CA VAL A 110 -1.497 -4.515 -1.344 1.00 34.12 C ATOM 1492 C VAL A 110 -2.781 -3.915 -0.755 1.00 13.52 C ATOM 1493 O VAL A 110 -3.885 -4.317 -1.118 1.00 64.44 O ATOM 1494 CB VAL A 110 -1.150 -3.768 -2.663 1.00 34.44 C ATOM 1495 CG1 VAL A 110 0.292 -4.045 -3.085 1.00 62.13 C ATOM 1496 CG2 VAL A 110 -2.124 -4.146 -3.780 1.00 45.24 C ATOM 0 H VAL A 110 -2.573 -6.247 -1.850 1.00 63.23 H new ATOM 0 HA VAL A 110 -0.668 -4.382 -0.649 1.00 34.12 H new ATOM 0 HB VAL A 110 -1.249 -2.699 -2.477 1.00 34.44 H new ATOM 0 HG11 VAL A 110 0.509 -3.511 -4.010 1.00 62.13 H new ATOM 0 HG12 VAL A 110 0.971 -3.707 -2.303 1.00 62.13 H new ATOM 0 HG13 VAL A 110 0.425 -5.115 -3.244 1.00 62.13 H new ATOM 0 HG21 VAL A 110 -1.859 -3.610 -4.691 1.00 45.24 H new ATOM 0 HG22 VAL A 110 -2.070 -5.219 -3.962 1.00 45.24 H new ATOM 0 HG23 VAL A 110 -3.138 -3.879 -3.484 1.00 45.24 H new ATOM 1506 N ALA A 111 -2.629 -2.957 0.156 1.00 63.23 N ATOM 1507 CA ALA A 111 -3.771 -2.260 0.758 1.00 44.11 C ATOM 1508 C ALA A 111 -3.406 -0.803 1.074 1.00 14.24 C ATOM 1509 O ALA A 111 -2.225 -0.455 1.174 1.00 20.22 O ATOM 1510 CB ALA A 111 -4.245 -2.992 2.015 1.00 11.34 C ATOM 0 H ALA A 111 -1.721 -2.642 0.498 1.00 63.23 H new ATOM 0 HA ALA A 111 -4.592 -2.255 0.041 1.00 44.11 H new ATOM 0 HB1 ALA A 111 -5.093 -2.460 2.448 1.00 11.34 H new ATOM 0 HB2 ALA A 111 -4.548 -4.006 1.753 1.00 11.34 H new ATOM 0 HB3 ALA A 111 -3.433 -3.032 2.741 1.00 11.34 H new ATOM 1516 N TYR A 112 -4.412 0.051 1.224 1.00 35.14 N ATOM 1517 CA TYR A 112 -4.173 1.478 1.483 1.00 51.15 C ATOM 1518 C TYR A 112 -4.193 1.793 2.988 1.00 23.42 C ATOM 1519 O TYR A 112 -5.164 1.492 3.686 1.00 42.45 O ATOM 1520 CB TYR A 112 -5.215 2.332 0.749 1.00 45.12 C ATOM 1521 CG TYR A 112 -5.053 3.826 0.972 1.00 24.20 C ATOM 1522 CD1 TYR A 112 -4.021 4.532 0.365 1.00 33.03 C ATOM 1523 CD2 TYR A 112 -5.928 4.527 1.795 1.00 14.21 C ATOM 1524 CE1 TYR A 112 -3.867 5.889 0.573 1.00 31.43 C ATOM 1525 CE2 TYR A 112 -5.781 5.885 2.005 1.00 33.21 C ATOM 1526 CZ TYR A 112 -4.749 6.561 1.394 1.00 31.12 C ATOM 1527 OH TYR A 112 -4.592 7.912 1.610 1.00 34.23 O ATOM 0 H TYR A 112 -5.396 -0.211 1.172 1.00 35.14 H new ATOM 0 HA TYR A 112 -3.180 1.721 1.106 1.00 51.15 H new ATOM 0 HB2 TYR A 112 -5.153 2.125 -0.319 1.00 45.12 H new ATOM 0 HB3 TYR A 112 -6.211 2.032 1.074 1.00 45.12 H new ATOM 0 HD1 TYR A 112 -3.328 4.011 -0.280 1.00 33.03 H new ATOM 0 HD2 TYR A 112 -6.737 4.000 2.279 1.00 14.21 H new ATOM 0 HE1 TYR A 112 -3.059 6.422 0.094 1.00 31.43 H new ATOM 0 HE2 TYR A 112 -6.472 6.413 2.645 1.00 33.21 H new ATOM 0 HH TYR A 112 -5.297 8.231 2.211 1.00 34.23 H new ATOM 1537 N VAL A 113 -3.123 2.417 3.477 1.00 64.32 N ATOM 1538 CA VAL A 113 -2.999 2.757 4.900 1.00 21.11 C ATOM 1539 C VAL A 113 -3.965 3.882 5.307 1.00 50.33 C ATOM 1540 O VAL A 113 -3.793 5.038 4.917 1.00 23.32 O ATOM 1541 CB VAL A 113 -1.551 3.172 5.257 1.00 42.11 C ATOM 1542 CG1 VAL A 113 -1.437 3.540 6.736 1.00 41.43 C ATOM 1543 CG2 VAL A 113 -0.571 2.057 4.897 1.00 71.54 C ATOM 0 H VAL A 113 -2.324 2.700 2.909 1.00 64.32 H new ATOM 0 HA VAL A 113 -3.260 1.856 5.456 1.00 21.11 H new ATOM 0 HB VAL A 113 -1.295 4.055 4.672 1.00 42.11 H new ATOM 0 HG11 VAL A 113 -0.410 3.828 6.961 1.00 41.43 H new ATOM 0 HG12 VAL A 113 -2.104 4.374 6.956 1.00 41.43 H new ATOM 0 HG13 VAL A 113 -1.715 2.681 7.347 1.00 41.43 H new ATOM 0 HG21 VAL A 113 0.442 2.366 5.155 1.00 71.54 H new ATOM 0 HG22 VAL A 113 -0.827 1.154 5.451 1.00 71.54 H new ATOM 0 HG23 VAL A 113 -0.627 1.854 3.828 1.00 71.54 H new ATOM 1553 N GLU A 114 -4.976 3.527 6.096 1.00 31.22 N ATOM 1554 CA GLU A 114 -5.968 4.488 6.580 1.00 55.53 C ATOM 1555 C GLU A 114 -5.407 5.366 7.712 1.00 62.33 C ATOM 1556 O GLU A 114 -5.327 6.589 7.585 1.00 52.42 O ATOM 1557 CB GLU A 114 -7.220 3.739 7.069 1.00 14.10 C ATOM 1558 CG GLU A 114 -7.954 2.965 5.975 1.00 4.32 C ATOM 1559 CD GLU A 114 -8.744 3.862 5.028 1.00 24.52 C ATOM 1560 OE1 GLU A 114 -8.138 4.474 4.126 1.00 2.53 O ATOM 1561 OE2 GLU A 114 -9.980 3.946 5.169 1.00 65.13 O ATOM 0 H GLU A 114 -5.132 2.572 6.417 1.00 31.22 H new ATOM 0 HA GLU A 114 -6.230 5.145 5.751 1.00 55.53 H new ATOM 0 HB2 GLU A 114 -6.929 3.044 7.857 1.00 14.10 H new ATOM 0 HB3 GLU A 114 -7.908 4.457 7.515 1.00 14.10 H new ATOM 0 HG2 GLU A 114 -7.230 2.389 5.399 1.00 4.32 H new ATOM 0 HG3 GLU A 114 -8.634 2.250 6.439 1.00 4.32 H new ATOM 1568 N ASN A 115 -5.017 4.737 8.820 1.00 1.44 N ATOM 1569 CA ASN A 115 -4.548 5.472 10.005 1.00 51.45 C ATOM 1570 C ASN A 115 -3.488 4.679 10.792 1.00 35.20 C ATOM 1571 O ASN A 115 -3.544 3.449 10.872 1.00 35.13 O ATOM 1572 CB ASN A 115 -5.745 5.803 10.912 1.00 33.24 C ATOM 1573 CG ASN A 115 -5.354 6.606 12.141 1.00 62.14 C ATOM 1574 OD1 ASN A 115 -5.291 7.830 12.103 1.00 23.33 O ATOM 1575 ND2 ASN A 115 -5.090 5.929 13.240 1.00 2.11 N ATOM 0 H ASN A 115 -5.015 3.723 8.927 1.00 1.44 H new ATOM 0 HA ASN A 115 -4.076 6.394 9.664 1.00 51.45 H new ATOM 0 HB2 ASN A 115 -6.484 6.363 10.339 1.00 33.24 H new ATOM 0 HB3 ASN A 115 -6.222 4.875 11.228 1.00 33.24 H new ATOM 0 HD21 ASN A 115 -4.824 6.423 14.092 1.00 2.11 H new ATOM 0 HD22 ASN A 115 -5.151 4.911 13.239 1.00 2.11 H new ATOM 1582 N VAL A 116 -2.525 5.399 11.375 1.00 31.43 N ATOM 1583 CA VAL A 116 -1.491 4.788 12.220 1.00 63.12 C ATOM 1584 C VAL A 116 -1.792 5.035 13.706 1.00 62.42 C ATOM 1585 O VAL A 116 -1.974 6.177 14.132 1.00 44.11 O ATOM 1586 CB VAL A 116 -0.080 5.341 11.891 1.00 43.31 C ATOM 1587 CG1 VAL A 116 0.995 4.617 12.705 1.00 72.54 C ATOM 1588 CG2 VAL A 116 0.207 5.238 10.393 1.00 14.33 C ATOM 0 H VAL A 116 -2.439 6.411 11.277 1.00 31.43 H new ATOM 0 HA VAL A 116 -1.502 3.718 12.014 1.00 63.12 H new ATOM 0 HB VAL A 116 -0.057 6.395 12.168 1.00 43.31 H new ATOM 0 HG11 VAL A 116 1.975 5.023 12.456 1.00 72.54 H new ATOM 0 HG12 VAL A 116 0.803 4.759 13.769 1.00 72.54 H new ATOM 0 HG13 VAL A 116 0.973 3.553 12.471 1.00 72.54 H new ATOM 0 HG21 VAL A 116 1.202 5.632 10.185 1.00 14.33 H new ATOM 0 HG22 VAL A 116 0.158 4.194 10.084 1.00 14.33 H new ATOM 0 HG23 VAL A 116 -0.534 5.815 9.840 1.00 14.33 H new ATOM 1598 N ASN A 117 -1.844 3.961 14.485 1.00 60.01 N ATOM 1599 CA ASN A 117 -2.183 4.042 15.911 1.00 62.33 C ATOM 1600 C ASN A 117 -0.925 4.105 16.793 1.00 13.21 C ATOM 1601 O ASN A 117 0.063 3.413 16.534 1.00 74.21 O ATOM 1602 CB ASN A 117 -3.039 2.833 16.297 1.00 15.53 C ATOM 1603 CG ASN A 117 -4.297 2.734 15.453 1.00 52.22 C ATOM 1604 OD1 ASN A 117 -4.893 3.740 15.080 1.00 71.40 O ATOM 1605 ND2 ASN A 117 -4.702 1.527 15.121 1.00 14.31 N ATOM 0 H ASN A 117 -1.655 3.015 14.155 1.00 60.01 H new ATOM 0 HA ASN A 117 -2.743 4.962 16.078 1.00 62.33 H new ATOM 0 HB2 ASN A 117 -2.452 1.922 16.181 1.00 15.53 H new ATOM 0 HB3 ASN A 117 -3.313 2.904 17.350 1.00 15.53 H new ATOM 0 HD21 ASN A 117 -5.531 1.409 14.539 1.00 14.31 H new ATOM 0 HD22 ASN A 117 -4.187 0.709 15.446 1.00 14.31 H new ATOM 1612 N SER A 118 -0.981 4.920 17.850 1.00 52.12 N ATOM 1613 CA SER A 118 0.162 5.106 18.764 1.00 53.42 C ATOM 1614 C SER A 118 0.578 3.787 19.436 1.00 1.21 C ATOM 1615 O SER A 118 1.707 3.650 19.906 1.00 23.53 O ATOM 1616 CB SER A 118 -0.168 6.158 19.838 1.00 51.02 C ATOM 1617 OG SER A 118 -0.511 7.407 19.250 1.00 1.31 O ATOM 0 H SER A 118 -1.806 5.465 18.099 1.00 52.12 H new ATOM 0 HA SER A 118 1.001 5.457 18.163 1.00 53.42 H new ATOM 0 HB2 SER A 118 -0.995 5.805 20.454 1.00 51.02 H new ATOM 0 HB3 SER A 118 0.689 6.288 20.499 1.00 51.02 H new ATOM 0 HG SER A 118 -0.717 8.055 19.956 1.00 1.31 H new ATOM 1623 N ASP A 119 -0.337 2.820 19.477 1.00 13.24 N ATOM 1624 CA ASP A 119 -0.046 1.482 20.016 1.00 51.20 C ATOM 1625 C ASP A 119 0.998 0.730 19.162 1.00 74.24 C ATOM 1626 O ASP A 119 1.540 -0.296 19.583 1.00 72.43 O ATOM 1627 CB ASP A 119 -1.336 0.658 20.081 1.00 1.02 C ATOM 1628 CG ASP A 119 -2.436 1.368 20.845 1.00 53.42 C ATOM 1629 OD1 ASP A 119 -3.074 2.271 20.271 1.00 52.23 O ATOM 1630 OD2 ASP A 119 -2.662 1.030 22.026 1.00 43.53 O ATOM 0 H ASP A 119 -1.294 2.934 19.142 1.00 13.24 H new ATOM 0 HA ASP A 119 0.369 1.614 21.015 1.00 51.20 H new ATOM 0 HB2 ASP A 119 -1.679 0.445 19.069 1.00 1.02 H new ATOM 0 HB3 ASP A 119 -1.128 -0.301 20.556 1.00 1.02 H new ATOM 1635 N GLY A 120 1.272 1.251 17.967 1.00 40.30 N ATOM 1636 CA GLY A 120 2.156 0.572 17.028 1.00 64.32 C ATOM 1637 C GLY A 120 1.396 -0.396 16.129 1.00 35.23 C ATOM 1638 O GLY A 120 1.811 -1.538 15.930 1.00 41.30 O ATOM 0 H GLY A 120 0.895 2.137 17.630 1.00 40.30 H new ATOM 0 HA2 GLY A 120 2.669 1.311 16.413 1.00 64.32 H new ATOM 0 HA3 GLY A 120 2.923 0.029 17.580 1.00 64.32 H new ATOM 1642 N SER A 121 0.265 0.061 15.597 1.00 21.05 N ATOM 1643 CA SER A 121 -0.569 -0.758 14.706 1.00 74.23 C ATOM 1644 C SER A 121 -1.065 0.060 13.509 1.00 34.40 C ATOM 1645 O SER A 121 -1.449 1.224 13.647 1.00 20.01 O ATOM 1646 CB SER A 121 -1.767 -1.353 15.468 1.00 42.14 C ATOM 1647 OG SER A 121 -2.627 -0.342 15.974 1.00 41.30 O ATOM 0 H SER A 121 -0.101 0.998 15.766 1.00 21.05 H new ATOM 0 HA SER A 121 0.050 -1.575 14.335 1.00 74.23 H new ATOM 0 HB2 SER A 121 -2.330 -2.010 14.804 1.00 42.14 H new ATOM 0 HB3 SER A 121 -1.404 -1.967 16.292 1.00 42.14 H new ATOM 0 HG SER A 121 -3.401 -0.758 16.408 1.00 41.30 H new ATOM 1653 N VAL A 122 -1.046 -0.553 12.331 1.00 3.21 N ATOM 1654 CA VAL A 122 -1.430 0.124 11.089 1.00 62.43 C ATOM 1655 C VAL A 122 -2.761 -0.417 10.538 1.00 50.51 C ATOM 1656 O VAL A 122 -2.881 -1.602 10.233 1.00 12.10 O ATOM 1657 CB VAL A 122 -0.330 -0.048 10.010 1.00 13.34 C ATOM 1658 CG1 VAL A 122 -0.685 0.723 8.742 1.00 23.22 C ATOM 1659 CG2 VAL A 122 1.029 0.388 10.551 1.00 1.23 C ATOM 0 H VAL A 122 -0.767 -1.526 12.206 1.00 3.21 H new ATOM 0 HA VAL A 122 -1.552 1.181 11.325 1.00 62.43 H new ATOM 0 HB VAL A 122 -0.269 -1.105 9.753 1.00 13.34 H new ATOM 0 HG11 VAL A 122 0.102 0.586 8.001 1.00 23.22 H new ATOM 0 HG12 VAL A 122 -1.628 0.351 8.342 1.00 23.22 H new ATOM 0 HG13 VAL A 122 -0.783 1.783 8.976 1.00 23.22 H new ATOM 0 HG21 VAL A 122 1.787 0.259 9.778 1.00 1.23 H new ATOM 0 HG22 VAL A 122 0.984 1.437 10.844 1.00 1.23 H new ATOM 0 HG23 VAL A 122 1.288 -0.220 11.418 1.00 1.23 H new ATOM 1669 N GLU A 123 -3.759 0.455 10.421 1.00 34.32 N ATOM 1670 CA GLU A 123 -5.052 0.074 9.841 1.00 14.11 C ATOM 1671 C GLU A 123 -5.048 0.264 8.318 1.00 42.21 C ATOM 1672 O GLU A 123 -4.980 1.389 7.822 1.00 42.51 O ATOM 1673 CB GLU A 123 -6.183 0.893 10.474 1.00 11.21 C ATOM 1674 CG GLU A 123 -6.414 0.581 11.950 1.00 24.42 C ATOM 1675 CD GLU A 123 -7.523 1.418 12.568 1.00 1.44 C ATOM 1676 OE1 GLU A 123 -8.643 1.435 12.012 1.00 0.54 O ATOM 1677 OE2 GLU A 123 -7.280 2.066 13.607 1.00 55.32 O ATOM 0 H GLU A 123 -3.701 1.429 10.718 1.00 34.32 H new ATOM 0 HA GLU A 123 -5.220 -0.982 10.053 1.00 14.11 H new ATOM 0 HB2 GLU A 123 -5.955 1.954 10.367 1.00 11.21 H new ATOM 0 HB3 GLU A 123 -7.106 0.708 9.924 1.00 11.21 H new ATOM 0 HG2 GLU A 123 -6.660 -0.475 12.058 1.00 24.42 H new ATOM 0 HG3 GLU A 123 -5.489 0.750 12.501 1.00 24.42 H new ATOM 1684 N VAL A 124 -5.111 -0.842 7.580 1.00 41.23 N ATOM 1685 CA VAL A 124 -5.072 -0.799 6.114 1.00 40.04 C ATOM 1686 C VAL A 124 -6.380 -1.311 5.487 1.00 43.51 C ATOM 1687 O VAL A 124 -6.953 -2.304 5.931 1.00 31.11 O ATOM 1688 CB VAL A 124 -3.873 -1.615 5.566 1.00 3.15 C ATOM 1689 CG1 VAL A 124 -2.558 -1.059 6.111 1.00 10.53 C ATOM 1690 CG2 VAL A 124 -4.012 -3.101 5.903 1.00 64.52 C ATOM 0 H VAL A 124 -5.189 -1.781 7.970 1.00 41.23 H new ATOM 0 HA VAL A 124 -4.950 0.247 5.834 1.00 40.04 H new ATOM 0 HB VAL A 124 -3.869 -1.520 4.480 1.00 3.15 H new ATOM 0 HG11 VAL A 124 -1.725 -1.642 5.717 1.00 10.53 H new ATOM 0 HG12 VAL A 124 -2.449 -0.018 5.806 1.00 10.53 H new ATOM 0 HG13 VAL A 124 -2.561 -1.119 7.199 1.00 10.53 H new ATOM 0 HG21 VAL A 124 -3.156 -3.646 5.505 1.00 64.52 H new ATOM 0 HG22 VAL A 124 -4.051 -3.227 6.985 1.00 64.52 H new ATOM 0 HG23 VAL A 124 -4.928 -3.491 5.459 1.00 64.52 H new ATOM 1700 N SER A 125 -6.847 -0.617 4.453 1.00 64.31 N ATOM 1701 CA SER A 125 -8.103 -0.962 3.775 1.00 22.20 C ATOM 1702 C SER A 125 -7.889 -2.010 2.671 1.00 33.44 C ATOM 1703 O SER A 125 -7.198 -1.759 1.680 1.00 13.20 O ATOM 1704 CB SER A 125 -8.751 0.301 3.190 1.00 2.02 C ATOM 1705 OG SER A 125 -7.840 1.023 2.370 1.00 23.00 O ATOM 0 H SER A 125 -6.373 0.196 4.060 1.00 64.31 H new ATOM 0 HA SER A 125 -8.770 -1.400 4.518 1.00 22.20 H new ATOM 0 HB2 SER A 125 -9.628 0.024 2.605 1.00 2.02 H new ATOM 0 HB3 SER A 125 -9.099 0.942 4.001 1.00 2.02 H new ATOM 0 HG SER A 125 -7.310 0.394 1.837 1.00 23.00 H new ATOM 1711 N GLU A 126 -8.484 -3.185 2.862 1.00 61.01 N ATOM 1712 CA GLU A 126 -8.376 -4.298 1.908 1.00 25.31 C ATOM 1713 C GLU A 126 -9.752 -4.931 1.625 1.00 23.34 C ATOM 1714 O GLU A 126 -10.770 -4.485 2.153 1.00 42.04 O ATOM 1715 CB GLU A 126 -7.419 -5.364 2.458 1.00 53.00 C ATOM 1716 CG GLU A 126 -7.822 -5.904 3.829 1.00 23.51 C ATOM 1717 CD GLU A 126 -6.895 -7.001 4.327 1.00 10.44 C ATOM 1718 OE1 GLU A 126 -5.670 -6.773 4.349 1.00 52.21 O ATOM 1719 OE2 GLU A 126 -7.382 -8.098 4.681 1.00 75.12 O ATOM 0 H GLU A 126 -9.055 -3.397 3.680 1.00 61.01 H new ATOM 0 HA GLU A 126 -7.986 -3.902 0.971 1.00 25.31 H new ATOM 0 HB2 GLU A 126 -7.368 -6.193 1.752 1.00 53.00 H new ATOM 0 HB3 GLU A 126 -6.417 -4.940 2.525 1.00 53.00 H new ATOM 0 HG2 GLU A 126 -7.828 -5.086 4.549 1.00 23.51 H new ATOM 0 HG3 GLU A 126 -8.840 -6.291 3.777 1.00 23.51 H new ATOM 1726 N MET A 127 -9.780 -5.965 0.782 1.00 31.13 N ATOM 1727 CA MET A 127 -11.031 -6.669 0.457 1.00 33.23 C ATOM 1728 C MET A 127 -10.844 -8.197 0.487 1.00 42.43 C ATOM 1729 O MET A 127 -9.944 -8.736 -0.155 1.00 32.40 O ATOM 1730 CB MET A 127 -11.533 -6.224 -0.923 1.00 31.11 C ATOM 1731 CG MET A 127 -12.825 -6.894 -1.379 1.00 44.05 C ATOM 1732 SD MET A 127 -13.345 -6.329 -3.014 1.00 53.54 S ATOM 1733 CE MET A 127 -13.538 -4.573 -2.715 1.00 44.42 C ATOM 0 H MET A 127 -8.955 -6.336 0.311 1.00 31.13 H new ATOM 0 HA MET A 127 -11.771 -6.411 1.214 1.00 33.23 H new ATOM 0 HB2 MET A 127 -11.685 -5.145 -0.908 1.00 31.11 H new ATOM 0 HB3 MET A 127 -10.756 -6.426 -1.660 1.00 31.11 H new ATOM 0 HG2 MET A 127 -12.685 -7.975 -1.397 1.00 44.05 H new ATOM 0 HG3 MET A 127 -13.615 -6.687 -0.657 1.00 44.05 H new ATOM 0 HE1 MET A 127 -14.205 -4.147 -3.465 1.00 44.42 H new ATOM 0 HE2 MET A 127 -13.961 -4.417 -1.723 1.00 44.42 H new ATOM 0 HE3 MET A 127 -12.565 -4.085 -2.775 1.00 44.42 H new ATOM 1878 N GLU A 138 -10.921 -2.815 7.018 1.00 63.51 N ATOM 1879 CA GLU A 138 -9.643 -2.253 7.481 1.00 52.02 C ATOM 1880 C GLU A 138 -8.903 -3.233 8.413 1.00 61.11 C ATOM 1881 O GLU A 138 -9.273 -3.399 9.576 1.00 43.41 O ATOM 1882 CB GLU A 138 -9.866 -0.916 8.211 1.00 44.33 C ATOM 1883 CG GLU A 138 -10.547 0.167 7.371 1.00 32.24 C ATOM 1884 CD GLU A 138 -11.989 -0.164 7.013 1.00 0.11 C ATOM 1885 OE1 GLU A 138 -12.716 -0.695 7.884 1.00 12.44 O ATOM 1886 OE2 GLU A 138 -12.405 0.101 5.865 1.00 52.44 O ATOM 0 HA GLU A 138 -9.027 -2.081 6.599 1.00 52.02 H new ATOM 0 HB2 GLU A 138 -10.469 -1.100 9.100 1.00 44.33 H new ATOM 0 HB3 GLU A 138 -8.902 -0.539 8.552 1.00 44.33 H new ATOM 0 HG2 GLU A 138 -10.523 1.109 7.918 1.00 32.24 H new ATOM 0 HG3 GLU A 138 -9.978 0.317 6.454 1.00 32.24 H new ATOM 1893 N ARG A 139 -7.859 -3.881 7.897 1.00 33.22 N ATOM 1894 CA ARG A 139 -7.077 -4.845 8.680 1.00 62.22 C ATOM 1895 C ARG A 139 -6.029 -4.132 9.553 1.00 71.21 C ATOM 1896 O ARG A 139 -5.174 -3.406 9.047 1.00 2.50 O ATOM 1897 CB ARG A 139 -6.381 -5.849 7.742 1.00 72.43 C ATOM 1898 CG ARG A 139 -5.763 -7.050 8.463 1.00 32.41 C ATOM 1899 CD ARG A 139 -5.196 -8.090 7.490 1.00 53.05 C ATOM 1900 NE ARG A 139 -3.776 -7.882 7.188 1.00 64.43 N ATOM 1901 CZ ARG A 139 -3.212 -8.239 6.061 1.00 32.52 C ATOM 1902 NH1 ARG A 139 -3.932 -8.604 5.051 1.00 20.43 N ATOM 1903 NH2 ARG A 139 -1.928 -8.173 5.932 1.00 60.14 N ATOM 0 H ARG A 139 -7.533 -3.757 6.939 1.00 33.22 H new ATOM 0 HA ARG A 139 -7.762 -5.380 9.337 1.00 62.22 H new ATOM 0 HB2 ARG A 139 -7.105 -6.210 7.012 1.00 72.43 H new ATOM 0 HB3 ARG A 139 -5.600 -5.330 7.187 1.00 72.43 H new ATOM 0 HG2 ARG A 139 -4.968 -6.704 9.124 1.00 32.41 H new ATOM 0 HG3 ARG A 139 -6.518 -7.520 9.093 1.00 32.41 H new ATOM 0 HD2 ARG A 139 -5.329 -9.085 7.914 1.00 53.05 H new ATOM 0 HD3 ARG A 139 -5.767 -8.060 6.562 1.00 53.05 H new ATOM 0 HE ARG A 139 -3.194 -7.434 7.896 1.00 64.43 H new ATOM 0 HH11 ARG A 139 -4.949 -8.616 5.127 1.00 20.43 H new ATOM 0 HH12 ARG A 139 -3.483 -8.880 4.178 1.00 20.43 H new ATOM 0 HH21 ARG A 139 -1.354 -7.843 6.708 1.00 60.14 H new ATOM 0 HH22 ARG A 139 -1.489 -8.451 5.054 1.00 60.14 H new ATOM 1917 N THR A 140 -6.111 -4.329 10.867 1.00 15.10 N ATOM 1918 CA THR A 140 -5.143 -3.738 11.798 1.00 21.44 C ATOM 1919 C THR A 140 -3.904 -4.634 11.943 1.00 60.32 C ATOM 1920 O THR A 140 -3.957 -5.694 12.565 1.00 63.50 O ATOM 1921 CB THR A 140 -5.765 -3.494 13.195 1.00 20.14 C ATOM 1922 OG1 THR A 140 -6.929 -2.656 13.078 1.00 22.13 O ATOM 1923 CG2 THR A 140 -4.761 -2.838 14.143 1.00 75.14 C ATOM 0 H THR A 140 -6.835 -4.892 11.314 1.00 15.10 H new ATOM 0 HA THR A 140 -4.848 -2.777 11.378 1.00 21.44 H new ATOM 0 HB THR A 140 -6.048 -4.463 13.607 1.00 20.14 H new ATOM 0 HG1 THR A 140 -7.317 -2.509 13.966 1.00 22.13 H new ATOM 0 HG21 THR A 140 -5.228 -2.680 15.115 1.00 75.14 H new ATOM 0 HG22 THR A 140 -3.893 -3.487 14.259 1.00 75.14 H new ATOM 0 HG23 THR A 140 -4.445 -1.879 13.732 1.00 75.14 H new ATOM 1931 N ILE A 141 -2.797 -4.204 11.349 1.00 4.31 N ATOM 1932 CA ILE A 141 -1.547 -4.974 11.358 1.00 61.13 C ATOM 1933 C ILE A 141 -0.586 -4.485 12.458 1.00 72.51 C ATOM 1934 O ILE A 141 -0.457 -3.283 12.693 1.00 22.44 O ATOM 1935 CB ILE A 141 -0.848 -4.875 9.977 1.00 33.13 C ATOM 1936 CG1 ILE A 141 -1.793 -5.374 8.868 1.00 13.32 C ATOM 1937 CG2 ILE A 141 0.466 -5.658 9.967 1.00 22.43 C ATOM 1938 CD1 ILE A 141 -1.213 -5.274 7.473 1.00 70.52 C ATOM 0 H ILE A 141 -2.735 -3.317 10.849 1.00 4.31 H new ATOM 0 HA ILE A 141 -1.803 -6.013 11.567 1.00 61.13 H new ATOM 0 HB ILE A 141 -0.609 -3.829 9.787 1.00 33.13 H new ATOM 0 HG12 ILE A 141 -2.054 -6.413 9.068 1.00 13.32 H new ATOM 0 HG13 ILE A 141 -2.718 -4.799 8.908 1.00 13.32 H new ATOM 0 HG21 ILE A 141 0.934 -5.571 8.986 1.00 22.43 H new ATOM 0 HG22 ILE A 141 1.136 -5.254 10.726 1.00 22.43 H new ATOM 0 HG23 ILE A 141 0.266 -6.708 10.181 1.00 22.43 H new ATOM 0 HD11 ILE A 141 -1.939 -5.645 6.750 1.00 70.52 H new ATOM 0 HD12 ILE A 141 -0.978 -4.233 7.250 1.00 70.52 H new ATOM 0 HD13 ILE A 141 -0.304 -5.872 7.413 1.00 70.52 H new ATOM 1950 N SER A 142 0.082 -5.425 13.130 1.00 40.50 N ATOM 1951 CA SER A 142 1.055 -5.093 14.187 1.00 61.02 C ATOM 1952 C SER A 142 2.316 -4.442 13.598 1.00 33.15 C ATOM 1953 O SER A 142 2.663 -4.675 12.441 1.00 52.02 O ATOM 1954 CB SER A 142 1.451 -6.356 14.969 1.00 2.33 C ATOM 1955 OG SER A 142 0.315 -7.010 15.517 1.00 55.23 O ATOM 0 H SER A 142 -0.029 -6.425 12.965 1.00 40.50 H new ATOM 0 HA SER A 142 0.578 -4.382 14.862 1.00 61.02 H new ATOM 0 HB2 SER A 142 1.983 -7.041 14.309 1.00 2.33 H new ATOM 0 HB3 SER A 142 2.139 -6.087 15.771 1.00 2.33 H new ATOM 0 HG SER A 142 0.602 -7.809 16.006 1.00 55.23 H new ATOM 1961 N ALA A 143 3.013 -3.643 14.406 1.00 24.44 N ATOM 1962 CA ALA A 143 4.207 -2.915 13.947 1.00 53.22 C ATOM 1963 C ALA A 143 5.306 -3.857 13.408 1.00 14.21 C ATOM 1964 O ALA A 143 5.975 -3.543 12.419 1.00 64.13 O ATOM 1965 CB ALA A 143 4.758 -2.051 15.077 1.00 13.13 C ATOM 0 H ALA A 143 2.775 -3.480 15.384 1.00 24.44 H new ATOM 0 HA ALA A 143 3.898 -2.280 13.117 1.00 53.22 H new ATOM 0 HB1 ALA A 143 5.641 -1.516 14.728 1.00 13.13 H new ATOM 0 HB2 ALA A 143 3.999 -1.334 15.390 1.00 13.13 H new ATOM 0 HB3 ALA A 143 5.028 -2.685 15.922 1.00 13.13 H new ATOM 1971 N GLY A 144 5.501 -4.995 14.074 1.00 45.12 N ATOM 1972 CA GLY A 144 6.483 -5.983 13.621 1.00 44.24 C ATOM 1973 C GLY A 144 6.189 -6.518 12.220 1.00 52.01 C ATOM 1974 O GLY A 144 7.074 -6.567 11.361 1.00 63.02 O ATOM 0 H GLY A 144 4.997 -5.255 14.922 1.00 45.12 H new ATOM 0 HA2 GLY A 144 7.475 -5.532 13.631 1.00 44.24 H new ATOM 0 HA3 GLY A 144 6.504 -6.815 14.325 1.00 44.24 H new ATOM 1978 N GLU A 145 4.948 -6.928 11.994 1.00 24.23 N ATOM 1979 CA GLU A 145 4.507 -7.397 10.678 1.00 51.40 C ATOM 1980 C GLU A 145 4.542 -6.255 9.650 1.00 32.35 C ATOM 1981 O GLU A 145 4.956 -6.441 8.507 1.00 10.21 O ATOM 1982 CB GLU A 145 3.086 -7.958 10.781 1.00 14.34 C ATOM 1983 CG GLU A 145 2.565 -8.595 9.498 1.00 42.43 C ATOM 1984 CD GLU A 145 3.260 -9.904 9.164 1.00 32.12 C ATOM 1985 OE1 GLU A 145 2.931 -10.930 9.797 1.00 22.42 O ATOM 1986 OE2 GLU A 145 4.134 -9.915 8.271 1.00 3.03 O ATOM 0 H GLU A 145 4.220 -6.947 12.709 1.00 24.23 H new ATOM 0 HA GLU A 145 5.187 -8.181 10.344 1.00 51.40 H new ATOM 0 HB2 GLU A 145 3.059 -8.701 11.578 1.00 14.34 H new ATOM 0 HB3 GLU A 145 2.411 -7.153 11.073 1.00 14.34 H new ATOM 0 HG2 GLU A 145 1.494 -8.773 9.595 1.00 42.43 H new ATOM 0 HG3 GLU A 145 2.699 -7.897 8.671 1.00 42.43 H new ATOM 1993 N ALA A 146 4.114 -5.070 10.079 1.00 5.20 N ATOM 1994 CA ALA A 146 4.109 -3.874 9.227 1.00 63.53 C ATOM 1995 C ALA A 146 5.507 -3.565 8.669 1.00 25.15 C ATOM 1996 O ALA A 146 5.661 -3.243 7.494 1.00 74.33 O ATOM 1997 CB ALA A 146 3.576 -2.684 10.014 1.00 43.23 C ATOM 0 H ALA A 146 3.761 -4.908 11.022 1.00 5.20 H new ATOM 0 HA ALA A 146 3.456 -4.069 8.376 1.00 63.53 H new ATOM 0 HB1 ALA A 146 3.574 -1.799 9.378 1.00 43.23 H new ATOM 0 HB2 ALA A 146 2.560 -2.894 10.347 1.00 43.23 H new ATOM 0 HB3 ALA A 146 4.212 -2.507 10.881 1.00 43.23 H new ATOM 2003 N SER A 147 6.527 -3.686 9.521 1.00 45.44 N ATOM 2004 CA SER A 147 7.925 -3.437 9.116 1.00 4.42 C ATOM 2005 C SER A 147 8.375 -4.397 7.997 1.00 12.45 C ATOM 2006 O SER A 147 9.341 -4.130 7.279 1.00 55.00 O ATOM 2007 CB SER A 147 8.867 -3.568 10.327 1.00 4.14 C ATOM 2008 OG SER A 147 10.213 -3.263 9.986 1.00 64.21 O ATOM 0 H SER A 147 6.418 -3.955 10.499 1.00 45.44 H new ATOM 0 HA SER A 147 7.975 -2.420 8.727 1.00 4.42 H new ATOM 0 HB2 SER A 147 8.533 -2.900 11.121 1.00 4.14 H new ATOM 0 HB3 SER A 147 8.813 -4.583 10.721 1.00 4.14 H new ATOM 0 HG SER A 147 10.781 -3.356 10.780 1.00 64.21 H new ATOM 2014 N SER A 148 7.664 -5.515 7.849 1.00 62.02 N ATOM 2015 CA SER A 148 7.968 -6.506 6.803 1.00 71.32 C ATOM 2016 C SER A 148 7.465 -6.051 5.429 1.00 55.23 C ATOM 2017 O SER A 148 7.895 -6.567 4.393 1.00 44.24 O ATOM 2018 CB SER A 148 7.331 -7.857 7.156 1.00 12.43 C ATOM 2019 OG SER A 148 7.604 -8.842 6.169 1.00 32.42 O ATOM 0 H SER A 148 6.870 -5.762 8.440 1.00 62.02 H new ATOM 0 HA SER A 148 9.052 -6.608 6.753 1.00 71.32 H new ATOM 0 HB2 SER A 148 7.707 -8.195 8.121 1.00 12.43 H new ATOM 0 HB3 SER A 148 6.253 -7.735 7.259 1.00 12.43 H new ATOM 0 HG SER A 148 7.184 -9.689 6.427 1.00 32.42 H new ATOM 2025 N TYR A 149 6.554 -5.084 5.424 1.00 0.23 N ATOM 2026 CA TYR A 149 5.924 -4.618 4.186 1.00 0.34 C ATOM 2027 C TYR A 149 6.545 -3.302 3.689 1.00 1.14 C ATOM 2028 O TYR A 149 7.148 -2.551 4.456 1.00 64.31 O ATOM 2029 CB TYR A 149 4.414 -4.458 4.403 1.00 60.42 C ATOM 2030 CG TYR A 149 3.744 -5.717 4.934 1.00 60.10 C ATOM 2031 CD1 TYR A 149 4.121 -6.976 4.473 1.00 72.41 C ATOM 2032 CD2 TYR A 149 2.733 -5.647 5.887 1.00 13.31 C ATOM 2033 CE1 TYR A 149 3.513 -8.123 4.945 1.00 11.43 C ATOM 2034 CE2 TYR A 149 2.121 -6.791 6.363 1.00 43.40 C ATOM 2035 CZ TYR A 149 2.514 -8.026 5.889 1.00 54.14 C ATOM 2036 OH TYR A 149 1.904 -9.170 6.360 1.00 22.02 O ATOM 0 H TYR A 149 6.232 -4.604 6.264 1.00 0.23 H new ATOM 0 HA TYR A 149 6.099 -5.366 3.413 1.00 0.34 H new ATOM 0 HB2 TYR A 149 4.239 -3.640 5.102 1.00 60.42 H new ATOM 0 HB3 TYR A 149 3.946 -4.177 3.459 1.00 60.42 H new ATOM 0 HD1 TYR A 149 4.903 -7.057 3.733 1.00 72.41 H new ATOM 0 HD2 TYR A 149 2.421 -4.683 6.261 1.00 13.31 H new ATOM 0 HE1 TYR A 149 3.819 -9.091 4.576 1.00 11.43 H new ATOM 0 HE2 TYR A 149 1.338 -6.719 7.103 1.00 43.40 H new ATOM 0 HH TYR A 149 1.222 -8.929 7.021 1.00 22.02 H new ATOM 2046 N ASN A 150 6.391 -3.033 2.395 1.00 2.35 N ATOM 2047 CA ASN A 150 6.995 -1.851 1.765 1.00 75.43 C ATOM 2048 C ASN A 150 5.970 -0.717 1.606 1.00 1.15 C ATOM 2049 O ASN A 150 5.052 -0.818 0.798 1.00 32.33 O ATOM 2050 CB ASN A 150 7.550 -2.220 0.386 1.00 74.21 C ATOM 2051 CG ASN A 150 8.387 -3.484 0.412 1.00 21.52 C ATOM 2052 OD1 ASN A 150 9.593 -3.446 0.622 1.00 25.01 O ATOM 2053 ND2 ASN A 150 7.754 -4.620 0.184 1.00 3.45 N ATOM 0 H ASN A 150 5.852 -3.617 1.756 1.00 2.35 H new ATOM 0 HA ASN A 150 7.801 -1.505 2.412 1.00 75.43 H new ATOM 0 HB2 ASN A 150 6.722 -2.351 -0.311 1.00 74.21 H new ATOM 0 HB3 ASN A 150 8.156 -1.396 0.010 1.00 74.21 H new ATOM 0 HD21 ASN A 150 8.270 -5.500 0.179 1.00 3.45 H new ATOM 0 HD22 ASN A 150 6.749 -4.618 0.012 1.00 3.45 H new ATOM 2060 N TYR A 151 6.133 0.366 2.356 1.00 72.01 N ATOM 2061 CA TYR A 151 5.189 1.489 2.290 1.00 31.31 C ATOM 2062 C TYR A 151 5.574 2.501 1.198 1.00 2.02 C ATOM 2063 O TYR A 151 6.530 3.269 1.349 1.00 70.43 O ATOM 2064 CB TYR A 151 5.088 2.180 3.657 1.00 63.22 C ATOM 2065 CG TYR A 151 4.425 1.317 4.714 1.00 65.50 C ATOM 2066 CD1 TYR A 151 5.137 0.329 5.390 1.00 32.21 C ATOM 2067 CD2 TYR A 151 3.080 1.484 5.028 1.00 71.11 C ATOM 2068 CE1 TYR A 151 4.527 -0.463 6.344 1.00 53.43 C ATOM 2069 CE2 TYR A 151 2.466 0.695 5.982 1.00 32.30 C ATOM 2070 CZ TYR A 151 3.191 -0.276 6.635 1.00 42.03 C ATOM 2071 OH TYR A 151 2.581 -1.061 7.585 1.00 10.24 O ATOM 0 H TYR A 151 6.902 0.496 3.014 1.00 72.01 H new ATOM 0 HA TYR A 151 4.213 1.084 2.024 1.00 31.31 H new ATOM 0 HB2 TYR A 151 6.088 2.452 3.994 1.00 63.22 H new ATOM 0 HB3 TYR A 151 4.525 3.107 3.548 1.00 63.22 H new ATOM 0 HD1 TYR A 151 6.183 0.180 5.165 1.00 32.21 H new ATOM 0 HD2 TYR A 151 2.506 2.243 4.518 1.00 71.11 H new ATOM 0 HE1 TYR A 151 5.093 -1.225 6.859 1.00 53.43 H new ATOM 0 HE2 TYR A 151 1.421 0.840 6.214 1.00 32.30 H new ATOM 0 HH TYR A 151 1.679 -1.298 7.283 1.00 10.24 H new ATOM 2081 N ILE A 152 4.818 2.493 0.099 1.00 70.05 N ATOM 2082 CA ILE A 152 5.038 3.425 -1.009 1.00 2.44 C ATOM 2083 C ILE A 152 4.490 4.818 -0.670 1.00 53.24 C ATOM 2084 O ILE A 152 3.280 5.046 -0.700 1.00 0.13 O ATOM 2085 CB ILE A 152 4.379 2.944 -2.338 1.00 34.32 C ATOM 2086 CG1 ILE A 152 4.941 1.581 -2.793 1.00 51.01 C ATOM 2087 CG2 ILE A 152 4.569 3.989 -3.439 1.00 73.31 C ATOM 2088 CD1 ILE A 152 4.357 0.394 -2.057 1.00 10.05 C ATOM 0 H ILE A 152 4.043 1.847 -0.048 1.00 70.05 H new ATOM 0 HA ILE A 152 6.117 3.468 -1.154 1.00 2.44 H new ATOM 0 HB ILE A 152 3.313 2.817 -2.148 1.00 34.32 H new ATOM 0 HG12 ILE A 152 4.754 1.461 -3.860 1.00 51.01 H new ATOM 0 HG13 ILE A 152 6.023 1.583 -2.657 1.00 51.01 H new ATOM 0 HG21 ILE A 152 4.103 3.637 -4.359 1.00 73.31 H new ATOM 0 HG22 ILE A 152 4.106 4.927 -3.134 1.00 73.31 H new ATOM 0 HG23 ILE A 152 5.634 4.148 -3.609 1.00 73.31 H new ATOM 0 HD11 ILE A 152 4.804 -0.525 -2.436 1.00 10.05 H new ATOM 0 HD12 ILE A 152 4.567 0.487 -0.991 1.00 10.05 H new ATOM 0 HD13 ILE A 152 3.279 0.364 -2.213 1.00 10.05 H new ATOM 2100 N HIS A 153 5.384 5.737 -0.332 1.00 14.24 N ATOM 2101 CA HIS A 153 5.007 7.124 -0.068 1.00 22.43 C ATOM 2102 C HIS A 153 4.950 7.922 -1.377 1.00 70.32 C ATOM 2103 O HIS A 153 5.768 7.718 -2.278 1.00 15.15 O ATOM 2104 CB HIS A 153 5.983 7.753 0.929 1.00 5.52 C ATOM 2105 CG HIS A 153 5.890 7.140 2.295 1.00 23.51 C ATOM 2106 ND1 HIS A 153 5.015 7.586 3.262 1.00 4.43 N ATOM 2107 CD2 HIS A 153 6.539 6.082 2.840 1.00 32.31 C ATOM 2108 CE1 HIS A 153 5.132 6.837 4.340 1.00 13.40 C ATOM 2109 NE2 HIS A 153 6.045 5.913 4.115 1.00 40.14 N ATOM 0 H HIS A 153 6.381 5.548 -0.233 1.00 14.24 H new ATOM 0 HA HIS A 153 4.012 7.145 0.375 1.00 22.43 H new ATOM 0 HB2 HIS A 153 7.001 7.643 0.554 1.00 5.52 H new ATOM 0 HB3 HIS A 153 5.784 8.822 1.001 1.00 5.52 H new ATOM 0 HD2 HIS A 153 7.301 5.483 2.364 1.00 32.31 H new ATOM 0 HE1 HIS A 153 4.573 6.960 5.256 1.00 13.40 H new ATOM 0 HE2 HIS A 153 6.337 5.193 4.775 1.00 40.14 H new ATOM 2118 N LEU A 154 3.989 8.835 -1.468 1.00 31.34 N ATOM 2119 CA LEU A 154 3.632 9.458 -2.747 1.00 51.13 C ATOM 2120 C LEU A 154 4.194 10.880 -2.887 1.00 53.33 C ATOM 2121 O LEU A 154 3.820 11.601 -3.810 1.00 61.30 O ATOM 2122 CB LEU A 154 2.103 9.506 -2.878 1.00 35.54 C ATOM 2123 CG LEU A 154 1.366 8.201 -2.533 1.00 73.23 C ATOM 2124 CD1 LEU A 154 -0.140 8.382 -2.684 1.00 61.40 C ATOM 2125 CD2 LEU A 154 1.862 7.046 -3.397 1.00 75.13 C ATOM 0 H LEU A 154 3.440 9.163 -0.673 1.00 31.34 H new ATOM 0 HA LEU A 154 4.072 8.852 -3.539 1.00 51.13 H new ATOM 0 HB2 LEU A 154 1.725 10.298 -2.231 1.00 35.54 H new ATOM 0 HB3 LEU A 154 1.852 9.784 -3.902 1.00 35.54 H new ATOM 0 HG LEU A 154 1.581 7.955 -1.493 1.00 73.23 H new ATOM 0 HD11 LEU A 154 -0.645 7.449 -2.436 1.00 61.40 H new ATOM 0 HD12 LEU A 154 -0.481 9.169 -2.012 1.00 61.40 H new ATOM 0 HD13 LEU A 154 -0.372 8.658 -3.713 1.00 61.40 H new ATOM 0 HD21 LEU A 154 1.324 6.136 -3.132 1.00 75.13 H new ATOM 0 HD22 LEU A 154 1.688 7.277 -4.448 1.00 75.13 H new ATOM 0 HD23 LEU A 154 2.929 6.898 -3.230 1.00 75.13 H new