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 60 TYR OH : rot 120:sc= 1.02 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -128:sc= 1.77 (180deg=-1.24) USER MOD Set 2.1: A 57 CYS SG : rot -174:sc= -0.136 USER MOD Set 2.2: A 109 HIS : no HD1:sc= 0.449 K(o=0.31,f=-1.4) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.019 USER MOD Single : A 56 GLN : amide:sc= -0.768 K(o=-0.77,f=-4.9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0234 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -23:sc= 0.333 USER MOD Single : A 75 ASN : amide:sc=-0.000909 K(o=-0.00091,f=-0.58) USER MOD Single : A 77 ASN : amide:sc= -0.338 K(o=-0.34,f=-5!) USER MOD Single : A 78 ASN : amide:sc= 0.843 K(o=0.84,f=-0.98) 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 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.4) USER MOD Single : A 92 ASN : amide:sc= 0.00549 X(o=0.0055,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -97:sc= 0.697 USER MOD Single : A 101 GLN : amide:sc= -6.5! K(o=-6.5!,f=-3) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.269 USER MOD Single : A 115 ASN : amide:sc= 0.247 X(o=0.25,f=-0.044) USER MOD Single : A 117 ASN : amide:sc= -4.71! K(o=-4.7!,f=-0.57) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 127 MET CE :methyl 157:sc= -1.65 (180deg=-2.04) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot -21:sc= 0.508 USER MOD Single : A 148 SER OG : rot -37:sc= 0.396 USER MOD Single : A 149 TYR OH : rot 30:sc= 0 USER MOD Single : A 150 ASN : amide:sc= 0.011 X(o=0.011,f=0) USER MOD Single : A 151 TYR OH : rot 180:sc= -0.0309 USER MOD Single : A 153 HIS : no HE2:sc= -0.322 K(o=-0.32,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 723 N THR A 53 -9.691 -5.393 -11.816 1.00 35.12 N ATOM 724 CA THR A 53 -11.068 -5.917 -11.822 1.00 13.15 C ATOM 725 C THR A 53 -11.708 -5.886 -10.427 1.00 64.33 C ATOM 726 O THR A 53 -11.022 -5.993 -9.410 1.00 52.44 O ATOM 727 CB THR A 53 -11.128 -7.365 -12.366 1.00 63.04 C ATOM 728 OG1 THR A 53 -12.476 -7.851 -12.322 1.00 22.31 O ATOM 729 CG2 THR A 53 -10.219 -8.301 -11.572 1.00 55.20 C ATOM 0 HA THR A 53 -11.632 -5.258 -12.483 1.00 13.15 H new ATOM 0 HB THR A 53 -10.777 -7.346 -13.398 1.00 63.04 H new ATOM 0 HG1 THR A 53 -12.505 -8.767 -12.669 1.00 22.31 H new ATOM 0 HG21 THR A 53 -10.287 -9.309 -11.982 1.00 55.20 H new ATOM 0 HG22 THR A 53 -9.189 -7.951 -11.639 1.00 55.20 H new ATOM 0 HG23 THR A 53 -10.532 -8.312 -10.528 1.00 55.20 H new ATOM 737 N ALA A 54 -13.033 -5.755 -10.397 1.00 20.51 N ATOM 738 CA ALA A 54 -13.782 -5.655 -9.140 1.00 50.12 C ATOM 739 C ALA A 54 -13.714 -6.962 -8.328 1.00 74.03 C ATOM 740 O ALA A 54 -14.268 -7.991 -8.730 1.00 54.53 O ATOM 741 CB ALA A 54 -15.232 -5.275 -9.425 1.00 31.20 C ATOM 0 H ALA A 54 -13.616 -5.715 -11.233 1.00 20.51 H new ATOM 0 HA ALA A 54 -13.320 -4.874 -8.536 1.00 50.12 H new ATOM 0 HB1 ALA A 54 -15.781 -5.203 -8.486 1.00 31.20 H new ATOM 0 HB2 ALA A 54 -15.262 -4.313 -9.937 1.00 31.20 H new ATOM 0 HB3 ALA A 54 -15.691 -6.037 -10.056 1.00 31.20 H new ATOM 747 N GLY A 55 -13.045 -6.909 -7.177 1.00 33.21 N ATOM 748 CA GLY A 55 -12.838 -8.106 -6.361 1.00 32.14 C ATOM 749 C GLY A 55 -11.368 -8.338 -6.017 1.00 55.04 C ATOM 750 O GLY A 55 -11.027 -9.317 -5.349 1.00 23.13 O ATOM 0 H GLY A 55 -12.639 -6.057 -6.790 1.00 33.21 H new ATOM 0 HA2 GLY A 55 -13.413 -8.016 -5.439 1.00 32.14 H new ATOM 0 HA3 GLY A 55 -13.224 -8.975 -6.894 1.00 32.14 H new ATOM 754 N GLN A 56 -10.495 -7.441 -6.481 1.00 41.15 N ATOM 755 CA GLN A 56 -9.055 -7.530 -6.208 1.00 73.20 C ATOM 756 C GLN A 56 -8.566 -6.345 -5.362 1.00 43.31 C ATOM 757 O GLN A 56 -9.032 -5.215 -5.519 1.00 55.51 O ATOM 758 CB GLN A 56 -8.268 -7.585 -7.529 1.00 52.11 C ATOM 759 CG GLN A 56 -8.526 -8.841 -8.363 1.00 43.43 C ATOM 760 CD GLN A 56 -7.933 -10.107 -7.755 1.00 61.25 C ATOM 761 OE1 GLN A 56 -7.795 -10.232 -6.542 1.00 20.40 O ATOM 762 NE2 GLN A 56 -7.577 -11.057 -8.599 1.00 52.15 N ATOM 0 H GLN A 56 -10.761 -6.639 -7.052 1.00 41.15 H new ATOM 0 HA GLN A 56 -8.882 -8.445 -5.641 1.00 73.20 H new ATOM 0 HB2 GLN A 56 -8.521 -6.709 -8.126 1.00 52.11 H new ATOM 0 HB3 GLN A 56 -7.203 -7.523 -7.307 1.00 52.11 H new ATOM 0 HG2 GLN A 56 -9.601 -8.974 -8.482 1.00 43.43 H new ATOM 0 HG3 GLN A 56 -8.110 -8.697 -9.360 1.00 43.43 H new ATOM 0 HE21 GLN A 56 -7.705 -10.922 -9.602 1.00 52.15 H new ATOM 0 HE22 GLN A 56 -7.174 -11.926 -8.248 1.00 52.15 H new ATOM 771 N CYS A 57 -7.605 -6.609 -4.473 1.00 22.45 N ATOM 772 CA CYS A 57 -7.041 -5.565 -3.600 1.00 24.53 C ATOM 773 C CYS A 57 -6.444 -4.408 -4.417 1.00 3.10 C ATOM 774 O CYS A 57 -6.696 -3.241 -4.126 1.00 2.34 O ATOM 775 CB CYS A 57 -5.968 -6.160 -2.674 1.00 24.33 C ATOM 776 SG CYS A 57 -4.608 -6.980 -3.544 1.00 13.10 S ATOM 0 H CYS A 57 -7.199 -7.534 -4.335 1.00 22.45 H new ATOM 0 HA CYS A 57 -7.856 -5.168 -2.995 1.00 24.53 H new ATOM 0 HB2 CYS A 57 -5.559 -5.364 -2.052 1.00 24.33 H new ATOM 0 HB3 CYS A 57 -6.440 -6.878 -2.003 1.00 24.33 H new ATOM 0 HG CYS A 57 -3.827 -7.559 -2.681 1.00 13.10 H new ATOM 782 N THR A 58 -5.664 -4.747 -5.444 1.00 75.02 N ATOM 783 CA THR A 58 -5.062 -3.747 -6.348 1.00 13.22 C ATOM 784 C THR A 58 -6.107 -2.763 -6.900 1.00 32.43 C ATOM 785 O THR A 58 -5.884 -1.552 -6.923 1.00 55.23 O ATOM 786 CB THR A 58 -4.358 -4.433 -7.542 1.00 62.51 C ATOM 787 OG1 THR A 58 -5.302 -5.256 -8.250 1.00 22.24 O ATOM 788 CG2 THR A 58 -3.182 -5.286 -7.073 1.00 51.22 C ATOM 0 H THR A 58 -5.429 -5.712 -5.678 1.00 75.02 H new ATOM 0 HA THR A 58 -4.336 -3.194 -5.752 1.00 13.22 H new ATOM 0 HB THR A 58 -3.973 -3.658 -8.204 1.00 62.51 H new ATOM 0 HG1 THR A 58 -4.855 -5.689 -9.007 1.00 22.24 H new ATOM 0 HG21 THR A 58 -2.707 -5.756 -7.934 1.00 51.22 H new ATOM 0 HG22 THR A 58 -2.457 -4.655 -6.558 1.00 51.22 H new ATOM 0 HG23 THR A 58 -3.541 -6.057 -6.391 1.00 51.22 H new ATOM 796 N TRP A 59 -7.243 -3.304 -7.339 1.00 4.53 N ATOM 797 CA TRP A 59 -8.367 -2.502 -7.848 1.00 32.24 C ATOM 798 C TRP A 59 -8.819 -1.440 -6.827 1.00 30.44 C ATOM 799 O TRP A 59 -8.977 -0.264 -7.161 1.00 34.34 O ATOM 800 CB TRP A 59 -9.532 -3.442 -8.197 1.00 73.43 C ATOM 801 CG TRP A 59 -10.753 -2.755 -8.737 1.00 60.44 C ATOM 802 CD1 TRP A 59 -10.956 -2.326 -10.018 1.00 32.51 C ATOM 803 CD2 TRP A 59 -11.947 -2.439 -8.014 1.00 65.12 C ATOM 804 NE1 TRP A 59 -12.200 -1.757 -10.134 1.00 4.23 N ATOM 805 CE2 TRP A 59 -12.827 -1.814 -8.917 1.00 14.20 C ATOM 806 CE3 TRP A 59 -12.357 -2.624 -6.691 1.00 75.55 C ATOM 807 CZ2 TRP A 59 -14.093 -1.374 -8.537 1.00 61.41 C ATOM 808 CZ3 TRP A 59 -13.612 -2.185 -6.314 1.00 53.14 C ATOM 809 CH2 TRP A 59 -14.466 -1.568 -7.233 1.00 23.14 C ATOM 0 H TRP A 59 -7.415 -4.309 -7.354 1.00 4.53 H new ATOM 0 HA TRP A 59 -8.039 -1.968 -8.740 1.00 32.24 H new ATOM 0 HB2 TRP A 59 -9.186 -4.169 -8.932 1.00 73.43 H new ATOM 0 HB3 TRP A 59 -9.811 -4.000 -7.303 1.00 73.43 H new ATOM 0 HD1 TRP A 59 -10.242 -2.421 -10.823 1.00 32.51 H new ATOM 0 HE1 TRP A 59 -12.593 -1.357 -10.986 1.00 4.23 H new ATOM 0 HE3 TRP A 59 -11.704 -3.102 -5.975 1.00 75.55 H new ATOM 0 HZ2 TRP A 59 -14.756 -0.898 -9.244 1.00 61.41 H new ATOM 0 HZ3 TRP A 59 -13.938 -2.321 -5.293 1.00 53.14 H new ATOM 0 HH2 TRP A 59 -15.441 -1.237 -6.908 1.00 23.14 H new ATOM 820 N TYR A 60 -9.014 -1.866 -5.582 1.00 74.31 N ATOM 821 CA TYR A 60 -9.461 -0.965 -4.512 1.00 24.21 C ATOM 822 C TYR A 60 -8.378 0.064 -4.130 1.00 33.33 C ATOM 823 O TYR A 60 -8.646 1.266 -4.053 1.00 14.04 O ATOM 824 CB TYR A 60 -9.869 -1.782 -3.278 1.00 32.23 C ATOM 825 CG TYR A 60 -10.206 -0.929 -2.070 1.00 31.24 C ATOM 826 CD1 TYR A 60 -11.291 -0.061 -2.091 1.00 2.14 C ATOM 827 CD2 TYR A 60 -9.425 -0.972 -0.918 1.00 74.35 C ATOM 828 CE1 TYR A 60 -11.591 0.735 -1.003 1.00 60.45 C ATOM 829 CE2 TYR A 60 -9.718 -0.177 0.171 1.00 52.40 C ATOM 830 CZ TYR A 60 -10.801 0.672 0.126 1.00 13.42 C ATOM 831 OH TYR A 60 -11.089 1.473 1.209 1.00 45.02 O ATOM 0 H TYR A 60 -8.870 -2.831 -5.284 1.00 74.31 H new ATOM 0 HA TYR A 60 -10.321 -0.410 -4.887 1.00 24.21 H new ATOM 0 HB2 TYR A 60 -10.732 -2.398 -3.530 1.00 32.23 H new ATOM 0 HB3 TYR A 60 -9.057 -2.461 -3.018 1.00 32.23 H new ATOM 0 HD1 TYR A 60 -11.911 -0.008 -2.974 1.00 2.14 H new ATOM 0 HD2 TYR A 60 -8.576 -1.638 -0.876 1.00 74.35 H new ATOM 0 HE1 TYR A 60 -12.439 1.403 -1.036 1.00 60.45 H new ATOM 0 HE2 TYR A 60 -9.100 -0.221 1.056 1.00 52.40 H new ATOM 0 HH TYR A 60 -11.270 0.912 1.992 1.00 45.02 H new ATOM 841 N VAL A 61 -7.159 -0.414 -3.886 1.00 71.24 N ATOM 842 CA VAL A 61 -6.045 0.455 -3.487 1.00 45.43 C ATOM 843 C VAL A 61 -5.776 1.547 -4.536 1.00 75.22 C ATOM 844 O VAL A 61 -5.516 2.705 -4.198 1.00 23.22 O ATOM 845 CB VAL A 61 -4.752 -0.366 -3.255 1.00 10.24 C ATOM 846 CG1 VAL A 61 -3.596 0.534 -2.824 1.00 5.30 C ATOM 847 CG2 VAL A 61 -4.991 -1.467 -2.222 1.00 55.04 C ATOM 0 H VAL A 61 -6.914 -1.402 -3.957 1.00 71.24 H new ATOM 0 HA VAL A 61 -6.337 0.934 -2.552 1.00 45.43 H new ATOM 0 HB VAL A 61 -4.478 -0.833 -4.201 1.00 10.24 H new ATOM 0 HG11 VAL A 61 -2.702 -0.071 -2.669 1.00 5.30 H new ATOM 0 HG12 VAL A 61 -3.403 1.275 -3.600 1.00 5.30 H new ATOM 0 HG13 VAL A 61 -3.857 1.041 -1.895 1.00 5.30 H new ATOM 0 HG21 VAL A 61 -4.071 -2.032 -2.073 1.00 55.04 H new ATOM 0 HG22 VAL A 61 -5.298 -1.019 -1.277 1.00 55.04 H new ATOM 0 HG23 VAL A 61 -5.774 -2.136 -2.578 1.00 55.04 H new ATOM 857 N TYR A 62 -5.854 1.169 -5.811 1.00 42.54 N ATOM 858 CA TYR A 62 -5.662 2.108 -6.919 1.00 0.45 C ATOM 859 C TYR A 62 -6.629 3.303 -6.822 1.00 24.54 C ATOM 860 O TYR A 62 -6.245 4.452 -7.061 1.00 53.52 O ATOM 861 CB TYR A 62 -5.856 1.379 -8.254 1.00 15.21 C ATOM 862 CG TYR A 62 -5.695 2.271 -9.473 1.00 21.42 C ATOM 863 CD1 TYR A 62 -4.434 2.645 -9.922 1.00 70.30 C ATOM 864 CD2 TYR A 62 -6.805 2.739 -10.171 1.00 4.15 C ATOM 865 CE1 TYR A 62 -4.284 3.459 -11.027 1.00 21.20 C ATOM 866 CE2 TYR A 62 -6.661 3.553 -11.276 1.00 64.04 C ATOM 867 CZ TYR A 62 -5.399 3.908 -11.700 1.00 53.30 C ATOM 868 OH TYR A 62 -5.252 4.721 -12.799 1.00 23.44 O ATOM 0 H TYR A 62 -6.050 0.212 -6.105 1.00 42.54 H new ATOM 0 HA TYR A 62 -4.646 2.499 -6.860 1.00 0.45 H new ATOM 0 HB2 TYR A 62 -5.138 0.561 -8.317 1.00 15.21 H new ATOM 0 HB3 TYR A 62 -6.850 0.933 -8.272 1.00 15.21 H new ATOM 0 HD1 TYR A 62 -3.557 2.293 -9.398 1.00 70.30 H new ATOM 0 HD2 TYR A 62 -7.795 2.460 -9.842 1.00 4.15 H new ATOM 0 HE1 TYR A 62 -3.297 3.742 -11.362 1.00 21.20 H new ATOM 0 HE2 TYR A 62 -7.532 3.910 -11.805 1.00 64.04 H new ATOM 0 HH TYR A 62 -6.135 4.948 -13.159 1.00 23.44 H new ATOM 878 N ASP A 63 -7.881 3.023 -6.470 1.00 55.33 N ATOM 879 CA ASP A 63 -8.897 4.069 -6.337 1.00 54.04 C ATOM 880 C ASP A 63 -8.640 4.950 -5.099 1.00 41.15 C ATOM 881 O ASP A 63 -8.746 6.177 -5.168 1.00 34.32 O ATOM 882 CB ASP A 63 -10.294 3.441 -6.268 1.00 64.43 C ATOM 883 CG ASP A 63 -11.397 4.485 -6.318 1.00 1.23 C ATOM 884 OD1 ASP A 63 -11.642 5.037 -7.412 1.00 4.52 O ATOM 885 OD2 ASP A 63 -12.013 4.770 -5.266 1.00 71.02 O ATOM 0 H ASP A 63 -8.219 2.081 -6.271 1.00 55.33 H new ATOM 0 HA ASP A 63 -8.838 4.710 -7.217 1.00 54.04 H new ATOM 0 HB2 ASP A 63 -10.418 2.744 -7.097 1.00 64.43 H new ATOM 0 HB3 ASP A 63 -10.385 2.863 -5.349 1.00 64.43 H new ATOM 890 N LYS A 64 -8.289 4.324 -3.976 1.00 31.44 N ATOM 891 CA LYS A 64 -7.999 5.060 -2.734 1.00 22.00 C ATOM 892 C LYS A 64 -6.810 6.022 -2.898 1.00 64.24 C ATOM 893 O LYS A 64 -6.784 7.100 -2.302 1.00 70.01 O ATOM 894 CB LYS A 64 -7.724 4.080 -1.584 1.00 62.12 C ATOM 895 CG LYS A 64 -8.931 3.236 -1.194 1.00 51.42 C ATOM 896 CD LYS A 64 -10.072 4.090 -0.635 1.00 70.25 C ATOM 897 CE LYS A 64 -9.730 4.689 0.729 1.00 24.21 C ATOM 898 NZ LYS A 64 -9.617 3.649 1.788 1.00 42.54 N ATOM 0 H LYS A 64 -8.197 3.311 -3.895 1.00 31.44 H new ATOM 0 HA LYS A 64 -8.880 5.658 -2.499 1.00 22.00 H new ATOM 0 HB2 LYS A 64 -6.907 3.418 -1.871 1.00 62.12 H new ATOM 0 HB3 LYS A 64 -7.388 4.642 -0.712 1.00 62.12 H new ATOM 0 HG2 LYS A 64 -9.284 2.684 -2.065 1.00 51.42 H new ATOM 0 HG3 LYS A 64 -8.632 2.498 -0.449 1.00 51.42 H new ATOM 0 HD2 LYS A 64 -10.299 4.893 -1.336 1.00 70.25 H new ATOM 0 HD3 LYS A 64 -10.971 3.480 -0.547 1.00 70.25 H new ATOM 0 HE2 LYS A 64 -8.790 5.236 0.658 1.00 24.21 H new ATOM 0 HE3 LYS A 64 -10.498 5.409 1.010 1.00 24.21 H new ATOM 0 HZ1 LYS A 64 -10.216 3.910 2.597 1.00 42.54 H new ATOM 0 HZ2 LYS A 64 -9.928 2.732 1.409 1.00 42.54 H new ATOM 0 HZ3 LYS A 64 -8.627 3.577 2.100 1.00 42.54 H new ATOM 912 N VAL A 65 -5.825 5.631 -3.704 1.00 21.41 N ATOM 913 CA VAL A 65 -4.668 6.495 -3.975 1.00 13.35 C ATOM 914 C VAL A 65 -4.959 7.463 -5.145 1.00 31.33 C ATOM 915 O VAL A 65 -4.078 8.190 -5.611 1.00 21.32 O ATOM 916 CB VAL A 65 -3.402 5.646 -4.273 1.00 72.25 C ATOM 917 CG1 VAL A 65 -3.508 4.936 -5.621 1.00 23.53 C ATOM 918 CG2 VAL A 65 -2.135 6.495 -4.197 1.00 44.30 C ATOM 0 H VAL A 65 -5.800 4.729 -4.180 1.00 21.41 H new ATOM 0 HA VAL A 65 -4.480 7.090 -3.081 1.00 13.35 H new ATOM 0 HB VAL A 65 -3.336 4.879 -3.502 1.00 72.25 H new ATOM 0 HG11 VAL A 65 -2.605 4.352 -5.796 1.00 23.53 H new ATOM 0 HG12 VAL A 65 -4.374 4.274 -5.616 1.00 23.53 H new ATOM 0 HG13 VAL A 65 -3.621 5.675 -6.414 1.00 23.53 H new ATOM 0 HG21 VAL A 65 -1.266 5.872 -4.410 1.00 44.30 H new ATOM 0 HG22 VAL A 65 -2.192 7.301 -4.929 1.00 44.30 H new ATOM 0 HG23 VAL A 65 -2.041 6.919 -3.197 1.00 44.30 H new ATOM 928 N GLY A 66 -6.206 7.462 -5.614 1.00 41.04 N ATOM 929 CA GLY A 66 -6.623 8.363 -6.686 1.00 71.10 C ATOM 930 C GLY A 66 -5.901 8.122 -8.011 1.00 62.33 C ATOM 931 O GLY A 66 -5.897 8.989 -8.886 1.00 71.31 O ATOM 0 H GLY A 66 -6.944 6.848 -5.269 1.00 41.04 H new ATOM 0 HA2 GLY A 66 -7.696 8.254 -6.843 1.00 71.10 H new ATOM 0 HA3 GLY A 66 -6.450 9.392 -6.371 1.00 71.10 H new ATOM 935 N GLY A 67 -5.298 6.943 -8.160 1.00 64.12 N ATOM 936 CA GLY A 67 -4.552 6.624 -9.374 1.00 23.20 C ATOM 937 C GLY A 67 -3.285 7.462 -9.563 1.00 5.34 C ATOM 938 O GLY A 67 -2.726 7.501 -10.654 1.00 33.14 O ATOM 0 H GLY A 67 -5.311 6.200 -7.461 1.00 64.12 H new ATOM 0 HA2 GLY A 67 -4.278 5.569 -9.354 1.00 23.20 H new ATOM 0 HA3 GLY A 67 -5.203 6.768 -10.237 1.00 23.20 H new ATOM 942 N ASN A 68 -2.811 8.108 -8.498 1.00 42.23 N ATOM 943 CA ASN A 68 -1.619 8.976 -8.584 1.00 31.02 C ATOM 944 C ASN A 68 -0.304 8.172 -8.587 1.00 4.42 C ATOM 945 O ASN A 68 0.783 8.748 -8.529 1.00 65.53 O ATOM 946 CB ASN A 68 -1.613 9.988 -7.428 1.00 3.04 C ATOM 947 CG ASN A 68 -2.738 11.005 -7.537 1.00 13.22 C ATOM 948 OD1 ASN A 68 -2.597 12.038 -8.181 1.00 72.43 O ATOM 949 ND2 ASN A 68 -3.857 10.730 -6.897 1.00 51.11 N ATOM 0 H ASN A 68 -3.225 8.053 -7.568 1.00 42.23 H new ATOM 0 HA ASN A 68 -1.678 9.506 -9.535 1.00 31.02 H new ATOM 0 HB2 ASN A 68 -1.701 9.454 -6.482 1.00 3.04 H new ATOM 0 HB3 ASN A 68 -0.656 10.510 -7.412 1.00 3.04 H new ATOM 0 HD21 ASN A 68 -4.637 11.386 -6.929 1.00 51.11 H new ATOM 0 HD22 ASN A 68 -3.943 9.861 -6.370 1.00 51.11 H new ATOM 956 N ILE A 69 -0.408 6.847 -8.661 1.00 72.40 N ATOM 957 CA ILE A 69 0.772 5.969 -8.650 1.00 54.23 C ATOM 958 C ILE A 69 1.205 5.546 -10.064 1.00 0.31 C ATOM 959 O ILE A 69 2.397 5.455 -10.363 1.00 31.33 O ATOM 960 CB ILE A 69 0.504 4.692 -7.811 1.00 62.43 C ATOM 961 CG1 ILE A 69 -0.749 3.956 -8.327 1.00 53.45 C ATOM 962 CG2 ILE A 69 0.358 5.037 -6.331 1.00 31.35 C ATOM 963 CD1 ILE A 69 -1.043 2.655 -7.607 1.00 31.12 C ATOM 0 H ILE A 69 -1.297 6.352 -8.730 1.00 72.40 H new ATOM 0 HA ILE A 69 1.577 6.551 -8.202 1.00 54.23 H new ATOM 0 HB ILE A 69 1.360 4.026 -7.920 1.00 62.43 H new ATOM 0 HG12 ILE A 69 -1.611 4.616 -8.229 1.00 53.45 H new ATOM 0 HG13 ILE A 69 -0.624 3.750 -9.390 1.00 53.45 H new ATOM 0 HG21 ILE A 69 0.171 4.126 -5.762 1.00 31.35 H new ATOM 0 HG22 ILE A 69 1.275 5.505 -5.974 1.00 31.35 H new ATOM 0 HG23 ILE A 69 -0.476 5.726 -6.199 1.00 31.35 H new ATOM 0 HD11 ILE A 69 -1.939 2.200 -8.029 1.00 31.12 H new ATOM 0 HD12 ILE A 69 -0.200 1.975 -7.726 1.00 31.12 H new ATOM 0 HD13 ILE A 69 -1.202 2.854 -6.547 1.00 31.12 H new ATOM 975 N GLY A 70 0.234 5.308 -10.939 1.00 70.24 N ATOM 976 CA GLY A 70 0.526 4.730 -12.244 1.00 13.13 C ATOM 977 C GLY A 70 0.142 3.253 -12.315 1.00 71.11 C ATOM 978 O GLY A 70 0.856 2.390 -11.807 1.00 50.21 O ATOM 0 H GLY A 70 -0.753 5.504 -10.770 1.00 70.24 H new ATOM 0 HA2 GLY A 70 -0.013 5.282 -13.014 1.00 13.13 H new ATOM 0 HA3 GLY A 70 1.589 4.839 -12.459 1.00 13.13 H new ATOM 982 N SER A 71 -0.988 2.961 -12.956 1.00 53.12 N ATOM 983 CA SER A 71 -1.531 1.589 -13.008 1.00 73.13 C ATOM 984 C SER A 71 -0.580 0.600 -13.697 1.00 24.42 C ATOM 985 O SER A 71 -0.720 -0.617 -13.536 1.00 74.31 O ATOM 986 CB SER A 71 -2.880 1.576 -13.731 1.00 52.20 C ATOM 987 OG SER A 71 -2.761 2.071 -15.056 1.00 63.03 O ATOM 0 H SER A 71 -1.552 3.652 -13.450 1.00 53.12 H new ATOM 0 HA SER A 71 -1.654 1.266 -11.974 1.00 73.13 H new ATOM 0 HB2 SER A 71 -3.272 0.559 -13.754 1.00 52.20 H new ATOM 0 HB3 SER A 71 -3.597 2.182 -13.177 1.00 52.20 H new ATOM 0 HG SER A 71 -3.638 2.049 -15.493 1.00 63.03 H new ATOM 993 N THR A 72 0.380 1.125 -14.462 1.00 33.43 N ATOM 994 CA THR A 72 1.374 0.294 -15.168 1.00 41.04 C ATOM 995 C THR A 72 2.172 -0.615 -14.216 1.00 54.02 C ATOM 996 O THR A 72 2.827 -1.560 -14.659 1.00 51.13 O ATOM 997 CB THR A 72 2.367 1.165 -15.979 1.00 51.21 C ATOM 998 OG1 THR A 72 3.319 0.333 -16.664 1.00 10.32 O ATOM 999 CG2 THR A 72 3.106 2.147 -15.074 1.00 62.12 C ATOM 0 H THR A 72 0.495 2.127 -14.613 1.00 33.43 H new ATOM 0 HA THR A 72 0.800 -0.338 -15.846 1.00 41.04 H new ATOM 0 HB THR A 72 1.790 1.732 -16.709 1.00 51.21 H new ATOM 0 HG1 THR A 72 3.379 -0.535 -16.213 1.00 10.32 H new ATOM 0 HG21 THR A 72 3.795 2.744 -15.671 1.00 62.12 H new ATOM 0 HG22 THR A 72 2.386 2.804 -14.586 1.00 62.12 H new ATOM 0 HG23 THR A 72 3.665 1.595 -14.318 1.00 62.12 H new ATOM 1007 N TRP A 73 2.125 -0.325 -12.913 1.00 71.32 N ATOM 1008 CA TRP A 73 2.765 -1.183 -11.902 1.00 74.30 C ATOM 1009 C TRP A 73 2.209 -2.620 -11.971 1.00 72.45 C ATOM 1010 O TRP A 73 2.948 -3.598 -11.847 1.00 65.11 O ATOM 1011 CB TRP A 73 2.556 -0.597 -10.495 1.00 32.04 C ATOM 1012 CG TRP A 73 3.186 0.756 -10.290 1.00 15.31 C ATOM 1013 CD1 TRP A 73 3.781 1.545 -11.237 1.00 21.53 C ATOM 1014 CD2 TRP A 73 3.282 1.479 -9.056 1.00 63.32 C ATOM 1015 NE1 TRP A 73 4.239 2.706 -10.667 1.00 45.21 N ATOM 1016 CE2 TRP A 73 3.945 2.691 -9.329 1.00 45.04 C ATOM 1017 CE3 TRP A 73 2.870 1.219 -7.747 1.00 11.01 C ATOM 1018 CZ2 TRP A 73 4.206 3.638 -8.341 1.00 12.53 C ATOM 1019 CZ3 TRP A 73 3.129 2.159 -6.767 1.00 33.10 C ATOM 1020 CH2 TRP A 73 3.790 3.356 -7.067 1.00 63.31 C ATOM 0 H TRP A 73 1.653 0.494 -12.530 1.00 71.32 H new ATOM 0 HA TRP A 73 3.834 -1.220 -12.112 1.00 74.30 H new ATOM 0 HB2 TRP A 73 1.486 -0.520 -10.301 1.00 32.04 H new ATOM 0 HB3 TRP A 73 2.965 -1.291 -9.760 1.00 32.04 H new ATOM 0 HD1 TRP A 73 3.876 1.290 -12.282 1.00 21.53 H new ATOM 0 HE1 TRP A 73 4.720 3.458 -11.160 1.00 45.21 H new ATOM 0 HE3 TRP A 73 2.358 0.300 -7.505 1.00 11.01 H new ATOM 0 HZ2 TRP A 73 4.718 4.561 -8.571 1.00 12.53 H new ATOM 0 HZ3 TRP A 73 2.816 1.966 -5.752 1.00 33.10 H new ATOM 0 HH2 TRP A 73 3.975 4.071 -6.279 1.00 63.31 H new ATOM 1031 N GLY A 74 0.896 -2.725 -12.177 1.00 63.35 N ATOM 1032 CA GLY A 74 0.247 -4.016 -12.400 1.00 51.11 C ATOM 1033 C GLY A 74 0.356 -4.994 -11.230 1.00 11.43 C ATOM 1034 O GLY A 74 -0.351 -4.861 -10.230 1.00 11.43 O ATOM 0 H GLY A 74 0.260 -1.928 -12.194 1.00 63.35 H new ATOM 0 HA2 GLY A 74 -0.808 -3.845 -12.616 1.00 51.11 H new ATOM 0 HA3 GLY A 74 0.683 -4.479 -13.285 1.00 51.11 H new ATOM 1038 N ASN A 75 1.247 -5.980 -11.363 1.00 1.35 N ATOM 1039 CA ASN A 75 1.376 -7.066 -10.379 1.00 12.00 C ATOM 1040 C ASN A 75 1.669 -6.535 -8.966 1.00 50.41 C ATOM 1041 O ASN A 75 2.535 -5.684 -8.778 1.00 2.23 O ATOM 1042 CB ASN A 75 2.475 -8.043 -10.817 1.00 24.34 C ATOM 1043 CG ASN A 75 2.176 -8.682 -12.162 1.00 23.21 C ATOM 1044 OD1 ASN A 75 1.021 -8.884 -12.527 1.00 12.22 O ATOM 1045 ND2 ASN A 75 3.209 -9.004 -12.911 1.00 65.21 N ATOM 0 H ASN A 75 1.895 -6.051 -12.147 1.00 1.35 H new ATOM 0 HA ASN A 75 0.420 -7.588 -10.338 1.00 12.00 H new ATOM 0 HB2 ASN A 75 3.427 -7.515 -10.872 1.00 24.34 H new ATOM 0 HB3 ASN A 75 2.586 -8.823 -10.064 1.00 24.34 H new ATOM 0 HD21 ASN A 75 3.062 -9.435 -13.824 1.00 65.21 H new ATOM 0 HD22 ASN A 75 4.156 -8.823 -12.579 1.00 65.21 H new ATOM 1052 N ALA A 76 0.965 -7.079 -7.972 1.00 42.13 N ATOM 1053 CA ALA A 76 1.032 -6.584 -6.592 1.00 51.20 C ATOM 1054 C ALA A 76 2.417 -6.784 -5.946 1.00 0.44 C ATOM 1055 O ALA A 76 2.683 -6.251 -4.869 1.00 3.43 O ATOM 1056 CB ALA A 76 -0.054 -7.248 -5.754 1.00 4.43 C ATOM 0 H ALA A 76 0.335 -7.871 -8.097 1.00 42.13 H new ATOM 0 HA ALA A 76 0.865 -5.507 -6.626 1.00 51.20 H new ATOM 0 HB1 ALA A 76 -0.001 -6.878 -4.730 1.00 4.43 H new ATOM 0 HB2 ALA A 76 -1.032 -7.014 -6.174 1.00 4.43 H new ATOM 0 HB3 ALA A 76 0.093 -8.328 -5.757 1.00 4.43 H new ATOM 1062 N ASN A 77 3.285 -7.568 -6.583 1.00 72.02 N ATOM 1063 CA ASN A 77 4.675 -7.729 -6.119 1.00 43.32 C ATOM 1064 C ASN A 77 5.628 -6.726 -6.796 1.00 72.04 C ATOM 1065 O ASN A 77 6.779 -6.570 -6.384 1.00 22.10 O ATOM 1066 CB ASN A 77 5.163 -9.164 -6.367 1.00 41.22 C ATOM 1067 CG ASN A 77 4.970 -9.620 -7.806 1.00 74.42 C ATOM 1068 OD1 ASN A 77 4.853 -8.815 -8.722 1.00 25.14 O ATOM 1069 ND2 ASN A 77 4.966 -10.920 -8.018 1.00 60.01 N ATOM 0 H ASN A 77 3.058 -8.104 -7.421 1.00 72.02 H new ATOM 0 HA ASN A 77 4.683 -7.526 -5.048 1.00 43.32 H new ATOM 0 HB2 ASN A 77 6.220 -9.232 -6.109 1.00 41.22 H new ATOM 0 HB3 ASN A 77 4.629 -9.843 -5.702 1.00 41.22 H new ATOM 0 HD21 ASN A 77 4.863 -11.282 -8.966 1.00 60.01 H new ATOM 0 HD22 ASN A 77 5.065 -11.565 -7.234 1.00 60.01 H new ATOM 1076 N ASN A 78 5.137 -6.044 -7.827 1.00 31.53 N ATOM 1077 CA ASN A 78 5.951 -5.102 -8.609 1.00 4.32 C ATOM 1078 C ASN A 78 5.828 -3.658 -8.087 1.00 61.34 C ATOM 1079 O ASN A 78 6.753 -2.869 -8.229 1.00 10.21 O ATOM 1080 CB ASN A 78 5.528 -5.163 -10.082 1.00 75.12 C ATOM 1081 CG ASN A 78 6.380 -4.282 -10.981 1.00 43.33 C ATOM 1082 OD1 ASN A 78 7.569 -4.092 -10.745 1.00 14.40 O ATOM 1083 ND2 ASN A 78 5.779 -3.730 -12.017 1.00 64.54 N ATOM 0 H ASN A 78 4.172 -6.123 -8.147 1.00 31.53 H new ATOM 0 HA ASN A 78 6.995 -5.397 -8.506 1.00 4.32 H new ATOM 0 HB2 ASN A 78 5.589 -6.194 -10.430 1.00 75.12 H new ATOM 0 HB3 ASN A 78 4.485 -4.859 -10.168 1.00 75.12 H new ATOM 0 HD21 ASN A 78 6.304 -3.126 -12.649 1.00 64.54 H new ATOM 0 HD22 ASN A 78 4.789 -3.907 -12.186 1.00 64.54 H new ATOM 1090 N TRP A 79 4.691 -3.333 -7.469 1.00 74.53 N ATOM 1091 CA TRP A 79 4.400 -1.957 -7.002 1.00 42.43 C ATOM 1092 C TRP A 79 5.610 -1.249 -6.350 1.00 33.14 C ATOM 1093 O TRP A 79 6.019 -0.182 -6.803 1.00 52.24 O ATOM 1094 CB TRP A 79 3.210 -1.964 -6.027 1.00 41.41 C ATOM 1095 CG TRP A 79 1.884 -2.210 -6.697 1.00 32.31 C ATOM 1096 CD1 TRP A 79 1.629 -3.088 -7.708 1.00 62.21 C ATOM 1097 CD2 TRP A 79 0.632 -1.573 -6.399 1.00 62.54 C ATOM 1098 NE1 TRP A 79 0.303 -3.036 -8.061 1.00 31.51 N ATOM 1099 CE2 TRP A 79 -0.331 -2.113 -7.273 1.00 41.23 C ATOM 1100 CE3 TRP A 79 0.235 -0.599 -5.481 1.00 41.14 C ATOM 1101 CZ2 TRP A 79 -1.667 -1.711 -7.255 1.00 21.33 C ATOM 1102 CZ3 TRP A 79 -1.088 -0.199 -5.463 1.00 24.34 C ATOM 1103 CH2 TRP A 79 -2.026 -0.756 -6.342 1.00 2.51 C ATOM 0 H TRP A 79 3.946 -4.002 -7.275 1.00 74.53 H new ATOM 0 HA TRP A 79 4.152 -1.384 -7.895 1.00 42.43 H new ATOM 0 HB2 TRP A 79 3.374 -2.733 -5.272 1.00 41.41 H new ATOM 0 HB3 TRP A 79 3.172 -1.008 -5.506 1.00 41.41 H new ATOM 0 HD1 TRP A 79 2.365 -3.732 -8.166 1.00 62.21 H new ATOM 0 HE1 TRP A 79 -0.138 -3.594 -8.792 1.00 31.51 H new ATOM 0 HE3 TRP A 79 0.949 -0.166 -4.797 1.00 41.14 H new ATOM 0 HZ2 TRP A 79 -2.390 -2.137 -7.935 1.00 21.33 H new ATOM 0 HZ3 TRP A 79 -1.404 0.556 -4.759 1.00 24.34 H new ATOM 0 HH2 TRP A 79 -3.053 -0.425 -6.299 1.00 2.51 H new ATOM 1114 N ALA A 80 6.179 -1.831 -5.291 1.00 51.43 N ATOM 1115 CA ALA A 80 7.349 -1.229 -4.625 1.00 51.32 C ATOM 1116 C ALA A 80 8.540 -1.059 -5.592 1.00 44.41 C ATOM 1117 O ALA A 80 9.195 -0.013 -5.618 1.00 52.32 O ATOM 1118 CB ALA A 80 7.762 -2.066 -3.420 1.00 51.13 C ATOM 0 H ALA A 80 5.858 -2.706 -4.877 1.00 51.43 H new ATOM 0 HA ALA A 80 7.057 -0.235 -4.288 1.00 51.32 H new ATOM 0 HB1 ALA A 80 8.627 -1.609 -2.939 1.00 51.13 H new ATOM 0 HB2 ALA A 80 6.936 -2.115 -2.711 1.00 51.13 H new ATOM 0 HB3 ALA A 80 8.019 -3.073 -3.748 1.00 51.13 H new ATOM 1124 N SER A 81 8.810 -2.099 -6.379 1.00 14.11 N ATOM 1125 CA SER A 81 9.883 -2.072 -7.388 1.00 34.24 C ATOM 1126 C SER A 81 9.685 -0.927 -8.395 1.00 32.05 C ATOM 1127 O SER A 81 10.591 -0.126 -8.637 1.00 41.13 O ATOM 1128 CB SER A 81 9.931 -3.409 -8.146 1.00 54.31 C ATOM 1129 OG SER A 81 10.876 -3.375 -9.204 1.00 10.41 O ATOM 0 H SER A 81 8.299 -2.981 -6.341 1.00 14.11 H new ATOM 0 HA SER A 81 10.823 -1.909 -6.861 1.00 34.24 H new ATOM 0 HB2 SER A 81 10.187 -4.211 -7.454 1.00 54.31 H new ATOM 0 HB3 SER A 81 8.943 -3.637 -8.547 1.00 54.31 H new ATOM 0 HG SER A 81 10.883 -4.240 -9.664 1.00 10.41 H new ATOM 1135 N ALA A 82 8.491 -0.857 -8.977 1.00 31.31 N ATOM 1136 CA ALA A 82 8.156 0.182 -9.954 1.00 71.43 C ATOM 1137 C ALA A 82 8.226 1.582 -9.328 1.00 73.32 C ATOM 1138 O ALA A 82 8.767 2.510 -9.926 1.00 21.40 O ATOM 1139 CB ALA A 82 6.772 -0.074 -10.541 1.00 53.12 C ATOM 0 H ALA A 82 7.732 -1.512 -8.789 1.00 31.31 H new ATOM 0 HA ALA A 82 8.893 0.141 -10.756 1.00 71.43 H new ATOM 0 HB1 ALA A 82 6.534 0.705 -11.266 1.00 53.12 H new ATOM 0 HB2 ALA A 82 6.760 -1.045 -11.035 1.00 53.12 H new ATOM 0 HB3 ALA A 82 6.031 -0.065 -9.742 1.00 53.12 H new ATOM 1145 N ALA A 83 7.682 1.718 -8.121 1.00 1.33 N ATOM 1146 CA ALA A 83 7.759 2.973 -7.363 1.00 0.11 C ATOM 1147 C ALA A 83 9.208 3.467 -7.250 1.00 24.40 C ATOM 1148 O ALA A 83 9.534 4.577 -7.674 1.00 35.52 O ATOM 1149 CB ALA A 83 7.150 2.781 -5.980 1.00 34.04 C ATOM 0 H ALA A 83 7.179 0.972 -7.641 1.00 1.33 H new ATOM 0 HA ALA A 83 7.192 3.733 -7.900 1.00 0.11 H new ATOM 0 HB1 ALA A 83 7.210 3.716 -5.423 1.00 34.04 H new ATOM 0 HB2 ALA A 83 6.106 2.485 -6.080 1.00 34.04 H new ATOM 0 HB3 ALA A 83 7.698 2.004 -5.446 1.00 34.04 H new ATOM 1155 N SER A 84 10.076 2.624 -6.700 1.00 22.54 N ATOM 1156 CA SER A 84 11.503 2.954 -6.554 1.00 23.44 C ATOM 1157 C SER A 84 12.143 3.284 -7.910 1.00 3.40 C ATOM 1158 O SER A 84 12.882 4.262 -8.044 1.00 33.32 O ATOM 1159 CB SER A 84 12.251 1.782 -5.900 1.00 10.52 C ATOM 1160 OG SER A 84 13.656 1.979 -5.930 1.00 10.45 O ATOM 0 H SER A 84 9.822 1.702 -6.345 1.00 22.54 H new ATOM 0 HA SER A 84 11.578 3.836 -5.918 1.00 23.44 H new ATOM 0 HB2 SER A 84 11.921 1.669 -4.867 1.00 10.52 H new ATOM 0 HB3 SER A 84 12.001 0.856 -6.418 1.00 10.52 H new ATOM 0 HG SER A 84 14.102 1.217 -5.505 1.00 10.45 H new ATOM 1166 N SER A 85 11.835 2.470 -8.918 1.00 34.43 N ATOM 1167 CA SER A 85 12.383 2.644 -10.271 1.00 2.24 C ATOM 1168 C SER A 85 11.798 3.878 -10.982 1.00 44.33 C ATOM 1169 O SER A 85 12.390 4.393 -11.932 1.00 74.52 O ATOM 1170 CB SER A 85 12.106 1.389 -11.111 1.00 53.31 C ATOM 1171 OG SER A 85 12.716 1.459 -12.396 1.00 72.01 O ATOM 0 H SER A 85 11.203 1.675 -8.826 1.00 34.43 H new ATOM 0 HA SER A 85 13.457 2.799 -10.169 1.00 2.24 H new ATOM 0 HB2 SER A 85 12.476 0.510 -10.582 1.00 53.31 H new ATOM 0 HB3 SER A 85 11.030 1.262 -11.228 1.00 53.31 H new ATOM 0 HG SER A 85 12.517 0.641 -12.898 1.00 72.01 H new ATOM 1177 N ALA A 86 10.634 4.341 -10.529 1.00 12.23 N ATOM 1178 CA ALA A 86 9.968 5.500 -11.142 1.00 42.03 C ATOM 1179 C ALA A 86 10.306 6.815 -10.418 1.00 31.25 C ATOM 1180 O ALA A 86 9.978 7.897 -10.904 1.00 10.22 O ATOM 1181 CB ALA A 86 8.459 5.284 -11.168 1.00 2.31 C ATOM 0 H ALA A 86 10.129 3.935 -9.741 1.00 12.23 H new ATOM 0 HA ALA A 86 10.340 5.588 -12.163 1.00 42.03 H new ATOM 0 HB1 ALA A 86 7.976 6.148 -11.624 1.00 2.31 H new ATOM 0 HB2 ALA A 86 8.229 4.391 -11.749 1.00 2.31 H new ATOM 0 HB3 ALA A 86 8.092 5.158 -10.149 1.00 2.31 H new ATOM 1187 N GLY A 87 10.953 6.722 -9.256 1.00 11.23 N ATOM 1188 CA GLY A 87 11.349 7.924 -8.516 1.00 55.32 C ATOM 1189 C GLY A 87 10.522 8.173 -7.254 1.00 70.53 C ATOM 1190 O GLY A 87 10.636 9.231 -6.628 1.00 25.15 O ATOM 0 H GLY A 87 11.212 5.842 -8.811 1.00 11.23 H new ATOM 0 HA2 GLY A 87 12.400 7.839 -8.239 1.00 55.32 H new ATOM 0 HA3 GLY A 87 11.261 8.789 -9.173 1.00 55.32 H new ATOM 1194 N TYR A 88 9.687 7.209 -6.879 1.00 54.00 N ATOM 1195 CA TYR A 88 8.880 7.312 -5.657 1.00 62.31 C ATOM 1196 C TYR A 88 9.680 6.873 -4.420 1.00 12.42 C ATOM 1197 O TYR A 88 10.741 6.259 -4.537 1.00 11.24 O ATOM 1198 CB TYR A 88 7.598 6.476 -5.789 1.00 51.11 C ATOM 1199 CG TYR A 88 6.654 6.978 -6.866 1.00 1.13 C ATOM 1200 CD1 TYR A 88 6.874 6.686 -8.207 1.00 63.00 C ATOM 1201 CD2 TYR A 88 5.551 7.755 -6.540 1.00 41.22 C ATOM 1202 CE1 TYR A 88 6.019 7.151 -9.187 1.00 63.45 C ATOM 1203 CE2 TYR A 88 4.693 8.226 -7.513 1.00 72.33 C ATOM 1204 CZ TYR A 88 4.932 7.921 -8.836 1.00 11.22 C ATOM 1205 OH TYR A 88 4.086 8.392 -9.811 1.00 30.51 O ATOM 0 H TYR A 88 9.548 6.344 -7.402 1.00 54.00 H new ATOM 0 HA TYR A 88 8.606 8.359 -5.525 1.00 62.31 H new ATOM 0 HB2 TYR A 88 7.869 5.443 -6.007 1.00 51.11 H new ATOM 0 HB3 TYR A 88 7.076 6.473 -4.832 1.00 51.11 H new ATOM 0 HD1 TYR A 88 7.727 6.086 -8.487 1.00 63.00 H new ATOM 0 HD2 TYR A 88 5.360 7.996 -5.505 1.00 41.22 H new ATOM 0 HE1 TYR A 88 6.202 6.912 -10.224 1.00 63.45 H new ATOM 0 HE2 TYR A 88 3.840 8.829 -7.240 1.00 72.33 H new ATOM 0 HH TYR A 88 3.370 8.917 -9.397 1.00 30.51 H new ATOM 1215 N THR A 89 9.154 7.173 -3.237 1.00 31.13 N ATOM 1216 CA THR A 89 9.877 6.928 -1.978 1.00 3.23 C ATOM 1217 C THR A 89 9.395 5.649 -1.280 1.00 43.11 C ATOM 1218 O THR A 89 8.435 5.668 -0.509 1.00 12.43 O ATOM 1219 CB THR A 89 9.732 8.128 -1.010 1.00 14.11 C ATOM 1220 OG1 THR A 89 10.217 9.327 -1.634 1.00 62.04 O ATOM 1221 CG2 THR A 89 10.495 7.893 0.289 1.00 32.15 C ATOM 0 H THR A 89 8.230 7.587 -3.116 1.00 31.13 H new ATOM 0 HA THR A 89 10.927 6.802 -2.241 1.00 3.23 H new ATOM 0 HB THR A 89 8.673 8.235 -0.774 1.00 14.11 H new ATOM 0 HG1 THR A 89 10.120 10.080 -1.015 1.00 62.04 H new ATOM 0 HG21 THR A 89 10.371 8.755 0.945 1.00 32.15 H new ATOM 0 HG22 THR A 89 10.107 7.002 0.783 1.00 32.15 H new ATOM 0 HG23 THR A 89 11.553 7.753 0.069 1.00 32.15 H new ATOM 1229 N VAL A 90 10.065 4.533 -1.562 1.00 24.44 N ATOM 1230 CA VAL A 90 9.719 3.244 -0.948 1.00 31.31 C ATOM 1231 C VAL A 90 10.516 3.010 0.347 1.00 63.22 C ATOM 1232 O VAL A 90 11.678 2.601 0.309 1.00 4.41 O ATOM 1233 CB VAL A 90 9.976 2.064 -1.920 1.00 73.24 C ATOM 1234 CG1 VAL A 90 9.534 0.737 -1.299 1.00 53.33 C ATOM 1235 CG2 VAL A 90 9.273 2.303 -3.252 1.00 32.11 C ATOM 0 H VAL A 90 10.851 4.491 -2.211 1.00 24.44 H new ATOM 0 HA VAL A 90 8.655 3.285 -0.713 1.00 31.31 H new ATOM 0 HB VAL A 90 11.048 2.005 -2.107 1.00 73.24 H new ATOM 0 HG11 VAL A 90 9.725 -0.075 -2.001 1.00 53.33 H new ATOM 0 HG12 VAL A 90 10.093 0.561 -0.380 1.00 53.33 H new ATOM 0 HG13 VAL A 90 8.468 0.778 -1.073 1.00 53.33 H new ATOM 0 HG21 VAL A 90 9.465 1.464 -3.921 1.00 32.11 H new ATOM 0 HG22 VAL A 90 8.200 2.396 -3.086 1.00 32.11 H new ATOM 0 HG23 VAL A 90 9.651 3.220 -3.703 1.00 32.11 H new ATOM 1245 N ASN A 91 9.888 3.283 1.489 1.00 2.32 N ATOM 1246 CA ASN A 91 10.523 3.071 2.802 1.00 73.53 C ATOM 1247 C ASN A 91 9.628 2.205 3.703 1.00 4.33 C ATOM 1248 O ASN A 91 8.514 1.853 3.328 1.00 42.32 O ATOM 1249 CB ASN A 91 10.803 4.413 3.499 1.00 72.40 C ATOM 1250 CG ASN A 91 11.765 5.302 2.727 1.00 42.52 C ATOM 1251 OD1 ASN A 91 12.612 4.833 1.976 1.00 0.33 O ATOM 1252 ND2 ASN A 91 11.655 6.599 2.924 1.00 53.31 N ATOM 0 H ASN A 91 8.938 3.652 1.539 1.00 2.32 H new ATOM 0 HA ASN A 91 11.468 2.556 2.633 1.00 73.53 H new ATOM 0 HB2 ASN A 91 9.862 4.944 3.640 1.00 72.40 H new ATOM 0 HB3 ASN A 91 11.213 4.221 4.491 1.00 72.40 H new ATOM 0 HD21 ASN A 91 12.285 7.243 2.445 1.00 53.31 H new ATOM 0 HD22 ASN A 91 10.940 6.960 3.555 1.00 53.31 H new ATOM 1259 N ASN A 92 10.110 1.873 4.896 1.00 13.24 N ATOM 1260 CA ASN A 92 9.316 1.099 5.858 1.00 2.31 C ATOM 1261 C ASN A 92 8.557 2.024 6.829 1.00 62.52 C ATOM 1262 O ASN A 92 8.214 1.627 7.945 1.00 0.13 O ATOM 1263 CB ASN A 92 10.219 0.134 6.632 1.00 51.44 C ATOM 1264 CG ASN A 92 10.996 -0.794 5.711 1.00 52.32 C ATOM 1265 OD1 ASN A 92 12.132 -0.513 5.343 1.00 45.42 O ATOM 1266 ND2 ASN A 92 10.385 -1.896 5.312 1.00 5.11 N ATOM 0 H ASN A 92 11.043 2.124 5.224 1.00 13.24 H new ATOM 0 HA ASN A 92 8.577 0.523 5.302 1.00 2.31 H new ATOM 0 HB2 ASN A 92 10.918 0.705 7.243 1.00 51.44 H new ATOM 0 HB3 ASN A 92 9.611 -0.460 7.314 1.00 51.44 H new ATOM 0 HD21 ASN A 92 10.859 -2.541 4.680 1.00 5.11 H new ATOM 0 HD22 ASN A 92 9.440 -2.101 5.636 1.00 5.11 H new ATOM 1273 N SER A 93 8.288 3.251 6.381 1.00 43.13 N ATOM 1274 CA SER A 93 7.528 4.239 7.168 1.00 74.31 C ATOM 1275 C SER A 93 6.013 4.009 7.047 1.00 34.34 C ATOM 1276 O SER A 93 5.423 4.295 6.001 1.00 43.21 O ATOM 1277 CB SER A 93 7.858 5.662 6.701 1.00 63.34 C ATOM 1278 OG SER A 93 6.968 6.609 7.270 1.00 64.32 O ATOM 0 H SER A 93 8.587 3.593 5.467 1.00 43.13 H new ATOM 0 HA SER A 93 7.818 4.116 8.211 1.00 74.31 H new ATOM 0 HB2 SER A 93 8.883 5.910 6.978 1.00 63.34 H new ATOM 0 HB3 SER A 93 7.801 5.713 5.614 1.00 63.34 H new ATOM 0 HG SER A 93 7.202 7.508 6.957 1.00 64.32 H new ATOM 1284 N PRO A 94 5.362 3.513 8.122 1.00 51.12 N ATOM 1285 CA PRO A 94 3.931 3.151 8.100 1.00 54.51 C ATOM 1286 C PRO A 94 2.973 4.346 8.261 1.00 71.40 C ATOM 1287 O PRO A 94 1.804 4.163 8.605 1.00 45.41 O ATOM 1288 CB PRO A 94 3.814 2.204 9.300 1.00 11.15 C ATOM 1289 CG PRO A 94 4.815 2.725 10.273 1.00 4.34 C ATOM 1290 CD PRO A 94 5.967 3.254 9.448 1.00 24.13 C ATOM 0 HA PRO A 94 3.643 2.722 7.140 1.00 54.51 H new ATOM 0 HB2 PRO A 94 2.808 2.214 9.719 1.00 11.15 H new ATOM 0 HB3 PRO A 94 4.031 1.174 9.018 1.00 11.15 H new ATOM 0 HG2 PRO A 94 4.384 3.513 10.891 1.00 4.34 H new ATOM 0 HG3 PRO A 94 5.149 1.937 10.948 1.00 4.34 H new ATOM 0 HD2 PRO A 94 6.385 4.163 9.881 1.00 24.13 H new ATOM 0 HD3 PRO A 94 6.778 2.529 9.383 1.00 24.13 H new ATOM 1298 N GLU A 95 3.467 5.560 8.010 1.00 3.14 N ATOM 1299 CA GLU A 95 2.641 6.777 8.112 1.00 4.22 C ATOM 1300 C GLU A 95 1.371 6.680 7.241 1.00 43.41 C ATOM 1301 O GLU A 95 1.398 6.130 6.136 1.00 22.35 O ATOM 1302 CB GLU A 95 3.469 8.013 7.717 1.00 14.50 C ATOM 1303 CG GLU A 95 2.714 9.341 7.818 1.00 71.04 C ATOM 1304 CD GLU A 95 2.236 9.653 9.232 1.00 72.11 C ATOM 1305 OE1 GLU A 95 3.029 10.199 10.031 1.00 50.14 O ATOM 1306 OE2 GLU A 95 1.061 9.358 9.555 1.00 34.20 O ATOM 0 H GLU A 95 4.434 5.732 7.734 1.00 3.14 H new ATOM 0 HA GLU A 95 2.321 6.876 9.149 1.00 4.22 H new ATOM 0 HB2 GLU A 95 4.352 8.062 8.354 1.00 14.50 H new ATOM 0 HB3 GLU A 95 3.821 7.887 6.693 1.00 14.50 H new ATOM 0 HG2 GLU A 95 3.362 10.147 7.474 1.00 71.04 H new ATOM 0 HG3 GLU A 95 1.855 9.315 7.148 1.00 71.04 H new ATOM 1313 N ALA A 96 0.266 7.224 7.752 1.00 50.13 N ATOM 1314 CA ALA A 96 -1.041 7.135 7.084 1.00 71.14 C ATOM 1315 C ALA A 96 -1.051 7.838 5.715 1.00 54.30 C ATOM 1316 O ALA A 96 -0.394 8.864 5.524 1.00 22.33 O ATOM 1317 CB ALA A 96 -2.122 7.719 7.987 1.00 70.02 C ATOM 0 H ALA A 96 0.247 7.736 8.634 1.00 50.13 H new ATOM 0 HA ALA A 96 -1.244 6.080 6.900 1.00 71.14 H new ATOM 0 HB1 ALA A 96 -3.089 7.651 7.488 1.00 70.02 H new ATOM 0 HB2 ALA A 96 -2.156 7.160 8.922 1.00 70.02 H new ATOM 0 HB3 ALA A 96 -1.895 8.764 8.197 1.00 70.02 H new ATOM 1323 N GLY A 97 -1.819 7.287 4.773 1.00 73.43 N ATOM 1324 CA GLY A 97 -1.875 7.842 3.423 1.00 21.32 C ATOM 1325 C GLY A 97 -0.816 7.259 2.494 1.00 40.11 C ATOM 1326 O GLY A 97 -0.315 7.942 1.601 1.00 33.01 O ATOM 0 H GLY A 97 -2.405 6.465 4.919 1.00 73.43 H new ATOM 0 HA2 GLY A 97 -2.863 7.656 3.001 1.00 21.32 H new ATOM 0 HA3 GLY A 97 -1.749 8.923 3.475 1.00 21.32 H new ATOM 1330 N SER A 98 -0.477 5.990 2.698 1.00 73.31 N ATOM 1331 CA SER A 98 0.531 5.314 1.868 1.00 13.15 C ATOM 1332 C SER A 98 0.076 3.900 1.486 1.00 33.20 C ATOM 1333 O SER A 98 -0.913 3.389 2.015 1.00 30.22 O ATOM 1334 CB SER A 98 1.873 5.239 2.611 1.00 30.44 C ATOM 1335 OG SER A 98 1.773 4.445 3.785 1.00 1.53 O ATOM 0 H SER A 98 -0.881 5.404 3.428 1.00 73.31 H new ATOM 0 HA SER A 98 0.655 5.897 0.956 1.00 13.15 H new ATOM 0 HB2 SER A 98 2.633 4.821 1.951 1.00 30.44 H new ATOM 0 HB3 SER A 98 2.200 6.244 2.877 1.00 30.44 H new ATOM 0 HG SER A 98 1.633 5.026 4.562 1.00 1.53 H new ATOM 1341 N ILE A 99 0.795 3.272 0.556 1.00 2.25 N ATOM 1342 CA ILE A 99 0.496 1.893 0.145 1.00 11.43 C ATOM 1343 C ILE A 99 1.595 0.943 0.632 1.00 21.22 C ATOM 1344 O ILE A 99 2.777 1.241 0.486 1.00 71.14 O ATOM 1345 CB ILE A 99 0.380 1.751 -1.402 1.00 54.22 C ATOM 1346 CG1 ILE A 99 -0.616 2.773 -1.989 1.00 11.22 C ATOM 1347 CG2 ILE A 99 -0.022 0.324 -1.784 1.00 33.32 C ATOM 1348 CD1 ILE A 99 -0.046 4.170 -2.149 1.00 63.21 C ATOM 0 H ILE A 99 1.588 3.692 0.071 1.00 2.25 H new ATOM 0 HA ILE A 99 -0.464 1.636 0.593 1.00 11.43 H new ATOM 0 HB ILE A 99 1.361 1.961 -1.829 1.00 54.22 H new ATOM 0 HG12 ILE A 99 -0.955 2.417 -2.962 1.00 11.22 H new ATOM 0 HG13 ILE A 99 -1.493 2.822 -1.344 1.00 11.22 H new ATOM 0 HG21 ILE A 99 -0.098 0.245 -2.869 1.00 33.32 H new ATOM 0 HG22 ILE A 99 0.731 -0.376 -1.421 1.00 33.32 H new ATOM 0 HG23 ILE A 99 -0.986 0.085 -1.335 1.00 33.32 H new ATOM 0 HD11 ILE A 99 -0.808 4.828 -2.567 1.00 63.21 H new ATOM 0 HD12 ILE A 99 0.267 4.549 -1.176 1.00 63.21 H new ATOM 0 HD13 ILE A 99 0.813 4.138 -2.819 1.00 63.21 H new ATOM 1360 N LEU A 100 1.221 -0.199 1.199 1.00 42.53 N ATOM 1361 CA LEU A 100 2.224 -1.161 1.675 1.00 72.41 C ATOM 1362 C LEU A 100 2.198 -2.456 0.847 1.00 13.53 C ATOM 1363 O LEU A 100 1.138 -3.032 0.594 1.00 71.45 O ATOM 1364 CB LEU A 100 2.051 -1.465 3.179 1.00 14.35 C ATOM 1365 CG LEU A 100 0.941 -2.458 3.580 1.00 61.13 C ATOM 1366 CD1 LEU A 100 0.917 -2.643 5.091 1.00 72.40 C ATOM 1367 CD2 LEU A 100 -0.424 -2.002 3.088 1.00 44.13 C ATOM 0 H LEU A 100 0.252 -0.483 1.341 1.00 42.53 H new ATOM 0 HA LEU A 100 3.202 -0.698 1.541 1.00 72.41 H new ATOM 0 HB2 LEU A 100 2.999 -1.849 3.556 1.00 14.35 H new ATOM 0 HB3 LEU A 100 1.862 -0.523 3.693 1.00 14.35 H new ATOM 0 HG LEU A 100 1.166 -3.413 3.105 1.00 61.13 H new ATOM 0 HD11 LEU A 100 0.129 -3.346 5.359 1.00 72.40 H new ATOM 0 HD12 LEU A 100 1.879 -3.031 5.425 1.00 72.40 H new ATOM 0 HD13 LEU A 100 0.726 -1.684 5.572 1.00 72.40 H new ATOM 0 HD21 LEU A 100 -1.180 -2.727 3.390 1.00 44.13 H new ATOM 0 HD22 LEU A 100 -0.660 -1.030 3.520 1.00 44.13 H new ATOM 0 HD23 LEU A 100 -0.411 -1.922 2.001 1.00 44.13 H new ATOM 1379 N GLN A 101 3.373 -2.893 0.407 1.00 33.13 N ATOM 1380 CA GLN A 101 3.501 -4.124 -0.378 1.00 50.23 C ATOM 1381 C GLN A 101 4.104 -5.264 0.456 1.00 54.34 C ATOM 1382 O GLN A 101 5.152 -5.102 1.086 1.00 74.14 O ATOM 1383 CB GLN A 101 4.359 -3.875 -1.624 1.00 13.20 C ATOM 1384 CG GLN A 101 4.562 -5.117 -2.484 1.00 35.10 C ATOM 1385 CD GLN A 101 5.349 -4.833 -3.752 1.00 63.22 C ATOM 1386 OE1 GLN A 101 6.567 -4.897 -3.772 1.00 34.15 O ATOM 1387 NE2 GLN A 101 4.654 -4.524 -4.825 1.00 20.34 N ATOM 0 H GLN A 101 4.256 -2.413 0.580 1.00 33.13 H new ATOM 0 HA GLN A 101 2.500 -4.425 -0.686 1.00 50.23 H new ATOM 0 HB2 GLN A 101 3.891 -3.098 -2.228 1.00 13.20 H new ATOM 0 HB3 GLN A 101 5.332 -3.495 -1.314 1.00 13.20 H new ATOM 0 HG2 GLN A 101 5.083 -5.876 -1.901 1.00 35.10 H new ATOM 0 HG3 GLN A 101 3.590 -5.532 -2.750 1.00 35.10 H new ATOM 0 HE21 GLN A 101 3.636 -4.478 -4.778 1.00 20.34 H new ATOM 0 HE22 GLN A 101 5.133 -4.330 -5.704 1.00 20.34 H new ATOM 1396 N SER A 102 3.435 -6.418 0.445 1.00 62.55 N ATOM 1397 CA SER A 102 3.868 -7.595 1.221 1.00 13.22 C ATOM 1398 C SER A 102 4.789 -8.530 0.420 1.00 75.14 C ATOM 1399 O SER A 102 5.727 -9.095 0.971 1.00 42.20 O ATOM 1400 CB SER A 102 2.640 -8.379 1.708 1.00 13.53 C ATOM 1401 OG SER A 102 3.010 -9.648 2.226 1.00 40.42 O ATOM 0 H SER A 102 2.583 -6.569 -0.096 1.00 62.55 H new ATOM 0 HA SER A 102 4.442 -7.223 2.069 1.00 13.22 H new ATOM 0 HB2 SER A 102 2.122 -7.807 2.478 1.00 13.53 H new ATOM 0 HB3 SER A 102 1.939 -8.511 0.883 1.00 13.53 H new ATOM 0 HG SER A 102 2.209 -10.124 2.530 1.00 40.42 H new ATOM 1466 N GLY A 108 2.016 -11.370 -5.261 1.00 44.33 N ATOM 1467 CA GLY A 108 2.209 -10.313 -4.273 1.00 42.44 C ATOM 1468 C GLY A 108 0.924 -9.901 -3.565 1.00 23.52 C ATOM 1469 O GLY A 108 -0.061 -10.637 -3.571 1.00 1.22 O ATOM 0 HA2 GLY A 108 2.932 -10.649 -3.530 1.00 42.44 H new ATOM 0 HA3 GLY A 108 2.639 -9.441 -4.765 1.00 42.44 H new ATOM 1473 N HIS A 109 0.941 -8.719 -2.952 1.00 52.52 N ATOM 1474 CA HIS A 109 -0.221 -8.192 -2.227 1.00 33.42 C ATOM 1475 C HIS A 109 0.030 -6.753 -1.763 1.00 65.14 C ATOM 1476 O HIS A 109 1.118 -6.432 -1.272 1.00 71.30 O ATOM 1477 CB HIS A 109 -0.566 -9.079 -1.023 1.00 2.44 C ATOM 1478 CG HIS A 109 -1.664 -8.522 -0.167 1.00 12.35 C ATOM 1479 ND1 HIS A 109 -2.911 -8.252 -0.685 1.00 1.13 N ATOM 1480 CD2 HIS A 109 -1.644 -8.180 1.144 1.00 54.51 C ATOM 1481 CE1 HIS A 109 -3.614 -7.753 0.318 1.00 42.33 C ATOM 1482 NE2 HIS A 109 -2.886 -7.692 1.442 1.00 34.44 N ATOM 0 H HIS A 109 1.752 -8.101 -2.942 1.00 52.52 H new ATOM 0 HA HIS A 109 -1.067 -8.194 -2.914 1.00 33.42 H new ATOM 0 HB2 HIS A 109 -0.860 -10.066 -1.381 1.00 2.44 H new ATOM 0 HB3 HIS A 109 0.327 -9.214 -0.413 1.00 2.44 H new ATOM 0 HD2 HIS A 109 -0.809 -8.275 1.822 1.00 54.51 H new ATOM 0 HE1 HIS A 109 -4.643 -7.435 0.241 1.00 42.33 H new ATOM 0 HE2 HIS A 109 -3.200 -7.346 2.349 1.00 34.44 H new ATOM 1490 N VAL A 110 -0.978 -5.896 -1.923 1.00 12.42 N ATOM 1491 CA VAL A 110 -0.881 -4.481 -1.538 1.00 10.52 C ATOM 1492 C VAL A 110 -2.183 -3.986 -0.887 1.00 42.03 C ATOM 1493 O VAL A 110 -3.267 -4.491 -1.181 1.00 23.31 O ATOM 1494 CB VAL A 110 -0.558 -3.572 -2.759 1.00 14.35 C ATOM 1495 CG1 VAL A 110 0.826 -3.885 -3.329 1.00 14.54 C ATOM 1496 CG2 VAL A 110 -1.634 -3.709 -3.837 1.00 51.34 C ATOM 0 H VAL A 110 -1.881 -6.157 -2.320 1.00 12.42 H new ATOM 0 HA VAL A 110 -0.066 -4.415 -0.818 1.00 10.52 H new ATOM 0 HB VAL A 110 -0.551 -2.538 -2.414 1.00 14.35 H new ATOM 0 HG11 VAL A 110 1.024 -3.235 -4.181 1.00 14.54 H new ATOM 0 HG12 VAL A 110 1.582 -3.718 -2.562 1.00 14.54 H new ATOM 0 HG13 VAL A 110 0.860 -4.926 -3.651 1.00 14.54 H new ATOM 0 HG21 VAL A 110 -1.388 -3.065 -4.681 1.00 51.34 H new ATOM 0 HG22 VAL A 110 -1.682 -4.745 -4.173 1.00 51.34 H new ATOM 0 HG23 VAL A 110 -2.600 -3.415 -3.426 1.00 51.34 H new ATOM 1506 N ALA A 111 -2.066 -2.996 -0.004 1.00 4.31 N ATOM 1507 CA ALA A 111 -3.235 -2.377 0.638 1.00 44.31 C ATOM 1508 C ALA A 111 -2.971 -0.894 0.951 1.00 42.20 C ATOM 1509 O ALA A 111 -1.830 -0.430 0.884 1.00 72.43 O ATOM 1510 CB ALA A 111 -3.620 -3.140 1.907 1.00 21.33 C ATOM 0 H ALA A 111 -1.172 -2.601 0.287 1.00 4.31 H new ATOM 0 HA ALA A 111 -4.071 -2.429 -0.059 1.00 44.31 H new ATOM 0 HB1 ALA A 111 -4.487 -2.666 2.367 1.00 21.33 H new ATOM 0 HB2 ALA A 111 -3.863 -4.172 1.652 1.00 21.33 H new ATOM 0 HB3 ALA A 111 -2.785 -3.126 2.607 1.00 21.33 H new ATOM 1516 N TYR A 112 -4.023 -0.152 1.292 1.00 45.25 N ATOM 1517 CA TYR A 112 -3.891 1.280 1.596 1.00 53.14 C ATOM 1518 C TYR A 112 -3.935 1.533 3.112 1.00 53.11 C ATOM 1519 O TYR A 112 -4.814 1.027 3.813 1.00 51.42 O ATOM 1520 CB TYR A 112 -5.002 2.073 0.890 1.00 41.42 C ATOM 1521 CG TYR A 112 -4.839 3.584 0.973 1.00 52.33 C ATOM 1522 CD1 TYR A 112 -3.855 4.238 0.234 1.00 60.44 C ATOM 1523 CD2 TYR A 112 -5.671 4.358 1.780 1.00 32.13 C ATOM 1524 CE1 TYR A 112 -3.708 5.612 0.299 1.00 45.20 C ATOM 1525 CE2 TYR A 112 -5.527 5.732 1.849 1.00 55.25 C ATOM 1526 CZ TYR A 112 -4.546 6.354 1.107 1.00 1.25 C ATOM 1527 OH TYR A 112 -4.408 7.724 1.166 1.00 45.40 O ATOM 0 H TYR A 112 -4.974 -0.513 1.366 1.00 45.25 H new ATOM 0 HA TYR A 112 -2.922 1.618 1.228 1.00 53.14 H new ATOM 0 HB2 TYR A 112 -5.032 1.779 -0.159 1.00 41.42 H new ATOM 0 HB3 TYR A 112 -5.962 1.798 1.326 1.00 41.42 H new ATOM 0 HD1 TYR A 112 -3.196 3.663 -0.400 1.00 60.44 H new ATOM 0 HD2 TYR A 112 -6.442 3.876 2.362 1.00 32.13 H new ATOM 0 HE1 TYR A 112 -2.940 6.103 -0.281 1.00 45.20 H new ATOM 0 HE2 TYR A 112 -6.180 6.315 2.481 1.00 55.25 H new ATOM 0 HH TYR A 112 -5.076 8.094 1.780 1.00 45.40 H new ATOM 1537 N VAL A 113 -2.977 2.315 3.608 1.00 63.53 N ATOM 1538 CA VAL A 113 -2.885 2.635 5.037 1.00 64.52 C ATOM 1539 C VAL A 113 -3.835 3.780 5.421 1.00 3.41 C ATOM 1540 O VAL A 113 -3.639 4.927 5.013 1.00 30.23 O ATOM 1541 CB VAL A 113 -1.434 3.021 5.429 1.00 41.44 C ATOM 1542 CG1 VAL A 113 -1.337 3.351 6.920 1.00 74.45 C ATOM 1543 CG2 VAL A 113 -0.461 1.902 5.056 1.00 24.01 C ATOM 0 H VAL A 113 -2.247 2.743 3.038 1.00 63.53 H new ATOM 0 HA VAL A 113 -3.179 1.738 5.582 1.00 64.52 H new ATOM 0 HB VAL A 113 -1.159 3.915 4.870 1.00 41.44 H new ATOM 0 HG11 VAL A 113 -0.310 3.618 7.167 1.00 74.45 H new ATOM 0 HG12 VAL A 113 -1.995 4.189 7.151 1.00 74.45 H new ATOM 0 HG13 VAL A 113 -1.637 2.482 7.505 1.00 74.45 H new ATOM 0 HG21 VAL A 113 0.551 2.191 5.339 1.00 24.01 H new ATOM 0 HG22 VAL A 113 -0.738 0.989 5.582 1.00 24.01 H new ATOM 0 HG23 VAL A 113 -0.502 1.728 3.981 1.00 24.01 H new ATOM 1553 N GLU A 114 -4.856 3.457 6.214 1.00 21.50 N ATOM 1554 CA GLU A 114 -5.866 4.437 6.636 1.00 64.10 C ATOM 1555 C GLU A 114 -5.367 5.309 7.803 1.00 14.13 C ATOM 1556 O GLU A 114 -5.348 6.538 7.712 1.00 24.33 O ATOM 1557 CB GLU A 114 -7.156 3.714 7.055 1.00 61.14 C ATOM 1558 CG GLU A 114 -7.727 2.764 5.999 1.00 71.32 C ATOM 1559 CD GLU A 114 -8.211 3.472 4.738 1.00 72.41 C ATOM 1560 OE1 GLU A 114 -8.891 4.514 4.853 1.00 55.43 O ATOM 1561 OE2 GLU A 114 -7.943 2.967 3.628 1.00 33.03 O ATOM 0 H GLU A 114 -5.009 2.518 6.581 1.00 21.50 H new ATOM 0 HA GLU A 114 -6.063 5.090 5.786 1.00 64.10 H new ATOM 0 HB2 GLU A 114 -6.960 3.148 7.966 1.00 61.14 H new ATOM 0 HB3 GLU A 114 -7.912 4.460 7.300 1.00 61.14 H new ATOM 0 HG2 GLU A 114 -6.963 2.036 5.726 1.00 71.32 H new ATOM 0 HG3 GLU A 114 -8.557 2.207 6.434 1.00 71.32 H new ATOM 1568 N ASN A 115 -4.956 4.670 8.903 1.00 33.24 N ATOM 1569 CA ASN A 115 -4.569 5.402 10.118 1.00 14.41 C ATOM 1570 C ASN A 115 -3.537 4.640 10.969 1.00 3.45 C ATOM 1571 O ASN A 115 -3.575 3.411 11.076 1.00 24.13 O ATOM 1572 CB ASN A 115 -5.822 5.715 10.953 1.00 63.31 C ATOM 1573 CG ASN A 115 -5.501 6.426 12.259 1.00 33.21 C ATOM 1574 OD1 ASN A 115 -5.362 7.646 12.299 1.00 33.42 O ATOM 1575 ND2 ASN A 115 -5.399 5.680 13.343 1.00 24.40 N ATOM 0 H ASN A 115 -4.882 3.656 8.979 1.00 33.24 H new ATOM 0 HA ASN A 115 -4.090 6.329 9.802 1.00 14.41 H new ATOM 0 HB2 ASN A 115 -6.499 6.335 10.365 1.00 63.31 H new ATOM 0 HB3 ASN A 115 -6.349 4.786 11.171 1.00 63.31 H new ATOM 0 HD21 ASN A 115 -5.200 6.114 14.244 1.00 24.40 H new ATOM 0 HD22 ASN A 115 -5.519 4.669 13.280 1.00 24.40 H new ATOM 1582 N VAL A 116 -2.619 5.392 11.582 1.00 44.51 N ATOM 1583 CA VAL A 116 -1.593 4.825 12.467 1.00 24.53 C ATOM 1584 C VAL A 116 -1.995 4.989 13.942 1.00 64.42 C ATOM 1585 O VAL A 116 -2.467 6.049 14.350 1.00 31.34 O ATOM 1586 CB VAL A 116 -0.220 5.506 12.237 1.00 42.11 C ATOM 1587 CG1 VAL A 116 0.881 4.815 13.044 1.00 53.42 C ATOM 1588 CG2 VAL A 116 0.127 5.528 10.751 1.00 74.31 C ATOM 0 H VAL A 116 -2.564 6.406 11.481 1.00 44.51 H new ATOM 0 HA VAL A 116 -1.509 3.764 12.230 1.00 24.53 H new ATOM 0 HB VAL A 116 -0.292 6.536 12.587 1.00 42.11 H new ATOM 0 HG11 VAL A 116 1.833 5.314 12.863 1.00 53.42 H new ATOM 0 HG12 VAL A 116 0.641 4.867 14.106 1.00 53.42 H new ATOM 0 HG13 VAL A 116 0.955 3.771 12.739 1.00 53.42 H new ATOM 0 HG21 VAL A 116 1.094 6.010 10.610 1.00 74.31 H new ATOM 0 HG22 VAL A 116 0.172 4.507 10.373 1.00 74.31 H new ATOM 0 HG23 VAL A 116 -0.637 6.083 10.207 1.00 74.31 H new ATOM 1598 N ASN A 117 -1.808 3.935 14.740 1.00 13.01 N ATOM 1599 CA ASN A 117 -2.182 3.964 16.163 1.00 3.33 C ATOM 1600 C ASN A 117 -0.961 4.263 17.045 1.00 23.24 C ATOM 1601 O ASN A 117 0.156 3.855 16.724 1.00 41.34 O ATOM 1602 CB ASN A 117 -2.811 2.625 16.585 1.00 40.23 C ATOM 1603 CG ASN A 117 -4.084 2.286 15.816 1.00 24.51 C ATOM 1604 OD1 ASN A 117 -5.018 1.714 16.364 1.00 34.15 O ATOM 1605 ND2 ASN A 117 -4.130 2.606 14.537 1.00 2.20 N ATOM 0 H ASN A 117 -1.402 3.052 14.430 1.00 13.01 H new ATOM 0 HA ASN A 117 -2.915 4.760 16.298 1.00 3.33 H new ATOM 0 HB2 ASN A 117 -2.083 1.827 16.438 1.00 40.23 H new ATOM 0 HB3 ASN A 117 -3.037 2.658 17.651 1.00 40.23 H new ATOM 0 HD21 ASN A 117 -4.956 2.377 13.983 1.00 2.20 H new ATOM 0 HD22 ASN A 117 -3.340 3.082 14.102 1.00 2.20 H new ATOM 1612 N SER A 118 -1.178 4.957 18.166 1.00 65.11 N ATOM 1613 CA SER A 118 -0.080 5.319 19.082 1.00 61.12 C ATOM 1614 C SER A 118 0.681 4.079 19.586 1.00 42.10 C ATOM 1615 O SER A 118 1.896 4.126 19.787 1.00 3.21 O ATOM 1616 CB SER A 118 -0.612 6.121 20.280 1.00 55.24 C ATOM 1617 OG SER A 118 -1.204 7.350 19.870 1.00 41.10 O ATOM 0 H SER A 118 -2.098 5.281 18.465 1.00 65.11 H new ATOM 0 HA SER A 118 0.616 5.937 18.515 1.00 61.12 H new ATOM 0 HB2 SER A 118 -1.348 5.525 20.819 1.00 55.24 H new ATOM 0 HB3 SER A 118 0.204 6.324 20.974 1.00 55.24 H new ATOM 0 HG SER A 118 -1.533 7.833 20.657 1.00 41.10 H new ATOM 1623 N ASP A 119 -0.042 2.973 19.785 1.00 43.43 N ATOM 1624 CA ASP A 119 0.566 1.695 20.212 1.00 62.14 C ATOM 1625 C ASP A 119 1.473 1.079 19.122 1.00 23.03 C ATOM 1626 O ASP A 119 2.184 0.101 19.375 1.00 42.45 O ATOM 1627 CB ASP A 119 -0.534 0.698 20.599 1.00 64.21 C ATOM 1628 CG ASP A 119 -1.345 1.171 21.793 1.00 63.51 C ATOM 1629 OD1 ASP A 119 -2.227 2.035 21.613 1.00 11.11 O ATOM 1630 OD2 ASP A 119 -1.101 0.683 22.918 1.00 2.53 O ATOM 0 H ASP A 119 -1.053 2.930 19.658 1.00 43.43 H new ATOM 0 HA ASP A 119 1.196 1.909 21.075 1.00 62.14 H new ATOM 0 HB2 ASP A 119 -1.198 0.545 19.749 1.00 64.21 H new ATOM 0 HB3 ASP A 119 -0.082 -0.267 20.828 1.00 64.21 H new ATOM 1635 N GLY A 120 1.440 1.648 17.917 1.00 14.23 N ATOM 1636 CA GLY A 120 2.284 1.165 16.823 1.00 34.14 C ATOM 1637 C GLY A 120 1.531 0.332 15.786 1.00 74.23 C ATOM 1638 O GLY A 120 2.125 -0.142 14.815 1.00 12.32 O ATOM 0 H GLY A 120 0.843 2.438 17.674 1.00 14.23 H new ATOM 0 HA2 GLY A 120 2.743 2.020 16.326 1.00 34.14 H new ATOM 0 HA3 GLY A 120 3.094 0.566 17.239 1.00 34.14 H new ATOM 1642 N SER A 121 0.223 0.155 15.991 1.00 72.52 N ATOM 1643 CA SER A 121 -0.617 -0.640 15.073 1.00 20.14 C ATOM 1644 C SER A 121 -0.965 0.147 13.798 1.00 33.43 C ATOM 1645 O SER A 121 -1.220 1.353 13.851 1.00 13.51 O ATOM 1646 CB SER A 121 -1.915 -1.075 15.773 1.00 24.41 C ATOM 1647 OG SER A 121 -1.647 -1.708 17.014 1.00 14.20 O ATOM 0 H SER A 121 -0.283 0.549 16.784 1.00 72.52 H new ATOM 0 HA SER A 121 -0.041 -1.521 14.788 1.00 20.14 H new ATOM 0 HB2 SER A 121 -2.551 -0.205 15.937 1.00 24.41 H new ATOM 0 HB3 SER A 121 -2.468 -1.757 15.127 1.00 24.41 H new ATOM 0 HG SER A 121 -2.491 -1.972 17.436 1.00 14.20 H new ATOM 1653 N VAL A 122 -0.988 -0.547 12.658 1.00 53.13 N ATOM 1654 CA VAL A 122 -1.287 0.082 11.360 1.00 2.45 C ATOM 1655 C VAL A 122 -2.623 -0.422 10.781 1.00 74.43 C ATOM 1656 O VAL A 122 -2.769 -1.602 10.462 1.00 64.32 O ATOM 1657 CB VAL A 122 -0.154 -0.200 10.335 1.00 2.05 C ATOM 1658 CG1 VAL A 122 -0.432 0.492 9.000 1.00 42.21 C ATOM 1659 CG2 VAL A 122 1.201 0.229 10.898 1.00 33.43 C ATOM 0 H VAL A 122 -0.803 -1.549 12.603 1.00 53.13 H new ATOM 0 HA VAL A 122 -1.362 1.155 11.537 1.00 2.45 H new ATOM 0 HB VAL A 122 -0.125 -1.274 10.153 1.00 2.05 H new ATOM 0 HG11 VAL A 122 0.378 0.277 8.303 1.00 42.21 H new ATOM 0 HG12 VAL A 122 -1.372 0.125 8.589 1.00 42.21 H new ATOM 0 HG13 VAL A 122 -0.500 1.569 9.156 1.00 42.21 H new ATOM 0 HG21 VAL A 122 1.981 0.023 10.165 1.00 33.43 H new ATOM 0 HG22 VAL A 122 1.182 1.296 11.118 1.00 33.43 H new ATOM 0 HG23 VAL A 122 1.407 -0.326 11.813 1.00 33.43 H new ATOM 1669 N GLU A 123 -3.592 0.480 10.646 1.00 12.44 N ATOM 1670 CA GLU A 123 -4.913 0.131 10.109 1.00 12.04 C ATOM 1671 C GLU A 123 -4.955 0.290 8.582 1.00 1.11 C ATOM 1672 O GLU A 123 -4.760 1.388 8.053 1.00 24.43 O ATOM 1673 CB GLU A 123 -5.990 1.010 10.759 1.00 43.23 C ATOM 1674 CG GLU A 123 -6.057 0.875 12.273 1.00 63.12 C ATOM 1675 CD GLU A 123 -7.081 1.808 12.893 1.00 43.52 C ATOM 1676 OE1 GLU A 123 -8.262 1.423 12.992 1.00 20.03 O ATOM 1677 OE2 GLU A 123 -6.703 2.934 13.288 1.00 55.30 O ATOM 0 H GLU A 123 -3.491 1.462 10.901 1.00 12.44 H new ATOM 0 HA GLU A 123 -5.108 -0.915 10.344 1.00 12.04 H new ATOM 0 HB2 GLU A 123 -5.799 2.052 10.504 1.00 43.23 H new ATOM 0 HB3 GLU A 123 -6.961 0.752 10.337 1.00 43.23 H new ATOM 0 HG2 GLU A 123 -6.304 -0.155 12.533 1.00 63.12 H new ATOM 0 HG3 GLU A 123 -5.075 1.084 12.697 1.00 63.12 H new ATOM 1684 N VAL A 124 -5.209 -0.812 7.877 1.00 61.13 N ATOM 1685 CA VAL A 124 -5.264 -0.809 6.411 1.00 54.43 C ATOM 1686 C VAL A 124 -6.597 -1.369 5.885 1.00 31.25 C ATOM 1687 O VAL A 124 -7.208 -2.247 6.504 1.00 60.33 O ATOM 1688 CB VAL A 124 -4.097 -1.630 5.797 1.00 62.41 C ATOM 1689 CG1 VAL A 124 -2.742 -1.040 6.193 1.00 35.51 C ATOM 1690 CG2 VAL A 124 -4.191 -3.103 6.203 1.00 33.00 C ATOM 0 H VAL A 124 -5.381 -1.725 8.298 1.00 61.13 H new ATOM 0 HA VAL A 124 -5.174 0.233 6.106 1.00 54.43 H new ATOM 0 HB VAL A 124 -4.183 -1.573 4.712 1.00 62.41 H new ATOM 0 HG11 VAL A 124 -1.943 -1.634 5.750 1.00 35.51 H new ATOM 0 HG12 VAL A 124 -2.673 -0.013 5.833 1.00 35.51 H new ATOM 0 HG13 VAL A 124 -2.643 -1.052 7.278 1.00 35.51 H new ATOM 0 HG21 VAL A 124 -3.363 -3.656 5.760 1.00 33.00 H new ATOM 0 HG22 VAL A 124 -4.143 -3.185 7.289 1.00 33.00 H new ATOM 0 HG23 VAL A 124 -5.135 -3.518 5.849 1.00 33.00 H new ATOM 1700 N SER A 125 -7.043 -0.854 4.740 1.00 15.44 N ATOM 1701 CA SER A 125 -8.258 -1.359 4.080 1.00 44.32 C ATOM 1702 C SER A 125 -7.905 -2.255 2.884 1.00 51.35 C ATOM 1703 O SER A 125 -7.314 -1.801 1.901 1.00 44.15 O ATOM 1704 CB SER A 125 -9.153 -0.201 3.614 1.00 3.15 C ATOM 1705 OG SER A 125 -9.692 0.519 4.716 1.00 15.31 O ATOM 0 H SER A 125 -6.585 -0.088 4.246 1.00 15.44 H new ATOM 0 HA SER A 125 -8.804 -1.953 4.813 1.00 44.32 H new ATOM 0 HB2 SER A 125 -8.575 0.475 2.984 1.00 3.15 H new ATOM 0 HB3 SER A 125 -9.965 -0.592 3.001 1.00 3.15 H new ATOM 0 HG SER A 125 -10.255 1.250 4.385 1.00 15.31 H new ATOM 1711 N GLU A 126 -8.274 -3.530 2.977 1.00 74.42 N ATOM 1712 CA GLU A 126 -7.966 -4.520 1.937 1.00 75.41 C ATOM 1713 C GLU A 126 -9.239 -4.960 1.191 1.00 75.23 C ATOM 1714 O GLU A 126 -10.301 -4.353 1.327 1.00 24.40 O ATOM 1715 CB GLU A 126 -7.314 -5.757 2.582 1.00 75.42 C ATOM 1716 CG GLU A 126 -6.216 -5.437 3.591 1.00 53.13 C ATOM 1717 CD GLU A 126 -5.651 -6.688 4.243 1.00 30.13 C ATOM 1718 OE1 GLU A 126 -6.401 -7.382 4.961 1.00 74.35 O ATOM 1719 OE2 GLU A 126 -4.455 -6.992 4.030 1.00 11.21 O ATOM 0 H GLU A 126 -8.792 -3.909 3.769 1.00 74.42 H new ATOM 0 HA GLU A 126 -7.284 -4.059 1.223 1.00 75.41 H new ATOM 0 HB2 GLU A 126 -8.087 -6.343 3.079 1.00 75.42 H new ATOM 0 HB3 GLU A 126 -6.896 -6.384 1.795 1.00 75.42 H new ATOM 0 HG2 GLU A 126 -5.413 -4.896 3.091 1.00 53.13 H new ATOM 0 HG3 GLU A 126 -6.614 -4.777 4.361 1.00 53.13 H new ATOM 1726 N MET A 127 -9.124 -6.024 0.397 1.00 10.24 N ATOM 1727 CA MET A 127 -10.285 -6.640 -0.255 1.00 1.21 C ATOM 1728 C MET A 127 -10.119 -8.166 -0.335 1.00 22.24 C ATOM 1729 O MET A 127 -9.226 -8.671 -1.016 1.00 54.52 O ATOM 1730 CB MET A 127 -10.502 -6.047 -1.654 1.00 64.14 C ATOM 1731 CG MET A 127 -11.670 -6.669 -2.410 1.00 44.35 C ATOM 1732 SD MET A 127 -12.090 -5.772 -3.917 1.00 44.00 S ATOM 1733 CE MET A 127 -12.716 -4.233 -3.239 1.00 0.33 C ATOM 0 H MET A 127 -8.236 -6.481 0.188 1.00 10.24 H new ATOM 0 HA MET A 127 -11.166 -6.423 0.349 1.00 1.21 H new ATOM 0 HB2 MET A 127 -10.671 -4.974 -1.562 1.00 64.14 H new ATOM 0 HB3 MET A 127 -9.592 -6.177 -2.239 1.00 64.14 H new ATOM 0 HG2 MET A 127 -11.424 -7.700 -2.664 1.00 44.35 H new ATOM 0 HG3 MET A 127 -12.542 -6.701 -1.757 1.00 44.35 H new ATOM 0 HE1 MET A 127 -12.633 -3.445 -3.988 1.00 0.33 H new ATOM 0 HE2 MET A 127 -13.762 -4.358 -2.958 1.00 0.33 H new ATOM 0 HE3 MET A 127 -12.134 -3.960 -2.359 1.00 0.33 H new ATOM 1878 N GLU A 138 -11.287 -4.939 6.126 1.00 25.20 N ATOM 1879 CA GLU A 138 -10.329 -4.173 6.941 1.00 75.00 C ATOM 1880 C GLU A 138 -9.372 -5.082 7.727 1.00 51.31 C ATOM 1881 O GLU A 138 -9.676 -6.247 8.000 1.00 21.41 O ATOM 1882 CB GLU A 138 -11.089 -3.256 7.904 1.00 41.12 C ATOM 1883 CG GLU A 138 -12.044 -2.300 7.202 1.00 1.50 C ATOM 1884 CD GLU A 138 -12.821 -1.429 8.174 1.00 33.25 C ATOM 1885 OE1 GLU A 138 -13.780 -1.932 8.796 1.00 54.43 O ATOM 1886 OE2 GLU A 138 -12.478 -0.236 8.316 1.00 43.24 O ATOM 0 HA GLU A 138 -9.721 -3.577 6.260 1.00 75.00 H new ATOM 0 HB2 GLU A 138 -11.652 -3.868 8.609 1.00 41.12 H new ATOM 0 HB3 GLU A 138 -10.371 -2.678 8.486 1.00 41.12 H new ATOM 0 HG2 GLU A 138 -11.479 -1.663 6.521 1.00 1.50 H new ATOM 0 HG3 GLU A 138 -12.744 -2.873 6.595 1.00 1.50 H new ATOM 1893 N ARG A 139 -8.206 -4.541 8.086 1.00 52.15 N ATOM 1894 CA ARG A 139 -7.205 -5.285 8.863 1.00 52.43 C ATOM 1895 C ARG A 139 -6.334 -4.345 9.711 1.00 63.04 C ATOM 1896 O ARG A 139 -5.806 -3.348 9.216 1.00 21.41 O ATOM 1897 CB ARG A 139 -6.314 -6.113 7.924 1.00 45.13 C ATOM 1898 CG ARG A 139 -5.173 -6.844 8.633 1.00 13.01 C ATOM 1899 CD ARG A 139 -4.338 -7.671 7.660 1.00 32.24 C ATOM 1900 NE ARG A 139 -3.218 -8.334 8.328 1.00 11.34 N ATOM 1901 CZ ARG A 139 -2.825 -9.552 8.074 1.00 32.51 C ATOM 1902 NH1 ARG A 139 -3.431 -10.275 7.187 1.00 71.21 N ATOM 1903 NH2 ARG A 139 -1.814 -10.041 8.707 1.00 5.41 N ATOM 0 H ARG A 139 -7.929 -3.588 7.852 1.00 52.15 H new ATOM 0 HA ARG A 139 -7.740 -5.951 9.539 1.00 52.43 H new ATOM 0 HB2 ARG A 139 -6.933 -6.844 7.404 1.00 45.13 H new ATOM 0 HB3 ARG A 139 -5.893 -5.454 7.165 1.00 45.13 H new ATOM 0 HG2 ARG A 139 -4.533 -6.118 9.135 1.00 13.01 H new ATOM 0 HG3 ARG A 139 -5.583 -7.495 9.405 1.00 13.01 H new ATOM 0 HD2 ARG A 139 -4.971 -8.420 7.184 1.00 32.24 H new ATOM 0 HD3 ARG A 139 -3.958 -7.025 6.868 1.00 32.24 H new ATOM 0 HE ARG A 139 -2.710 -7.809 9.040 1.00 11.34 H new ATOM 0 HH11 ARG A 139 -4.227 -9.894 6.676 1.00 71.21 H new ATOM 0 HH12 ARG A 139 -3.112 -11.226 6.999 1.00 71.21 H new ATOM 0 HH21 ARG A 139 -1.326 -9.476 9.402 1.00 5.41 H new ATOM 0 HH22 ARG A 139 -1.502 -10.993 8.513 1.00 5.41 H new ATOM 1917 N THR A 140 -6.186 -4.669 10.993 1.00 5.21 N ATOM 1918 CA THR A 140 -5.295 -3.916 11.885 1.00 71.31 C ATOM 1919 C THR A 140 -3.957 -4.647 12.037 1.00 34.22 C ATOM 1920 O THR A 140 -3.838 -5.604 12.806 1.00 41.54 O ATOM 1921 CB THR A 140 -5.919 -3.701 13.287 1.00 35.11 C ATOM 1922 OG1 THR A 140 -7.215 -3.088 13.165 1.00 41.43 O ATOM 1923 CG2 THR A 140 -5.029 -2.824 14.166 1.00 32.42 C ATOM 0 H THR A 140 -6.670 -5.447 11.442 1.00 5.21 H new ATOM 0 HA THR A 140 -5.139 -2.938 11.429 1.00 71.31 H new ATOM 0 HB THR A 140 -6.015 -4.680 13.758 1.00 35.11 H new ATOM 0 HG1 THR A 140 -7.601 -2.958 14.056 1.00 41.43 H new ATOM 0 HG21 THR A 140 -5.497 -2.694 15.142 1.00 32.42 H new ATOM 0 HG22 THR A 140 -4.057 -3.301 14.290 1.00 32.42 H new ATOM 0 HG23 THR A 140 -4.897 -1.850 13.694 1.00 32.42 H new ATOM 1931 N ILE A 141 -2.962 -4.204 11.279 1.00 12.20 N ATOM 1932 CA ILE A 141 -1.650 -4.851 11.244 1.00 52.43 C ATOM 1933 C ILE A 141 -0.842 -4.598 12.528 1.00 34.34 C ATOM 1934 O ILE A 141 -0.766 -3.468 13.023 1.00 73.30 O ATOM 1935 CB ILE A 141 -0.847 -4.368 10.011 1.00 22.54 C ATOM 1936 CG1 ILE A 141 -1.576 -4.784 8.720 1.00 33.30 C ATOM 1937 CG2 ILE A 141 0.582 -4.911 10.030 1.00 41.13 C ATOM 1938 CD1 ILE A 141 -0.890 -4.333 7.450 1.00 73.31 C ATOM 0 H ILE A 141 -3.038 -3.388 10.671 1.00 12.20 H new ATOM 0 HA ILE A 141 -1.822 -5.925 11.171 1.00 52.43 H new ATOM 0 HB ILE A 141 -0.781 -3.281 10.046 1.00 22.54 H new ATOM 0 HG12 ILE A 141 -1.671 -5.870 8.703 1.00 33.30 H new ATOM 0 HG13 ILE A 141 -2.587 -4.376 8.739 1.00 33.30 H new ATOM 0 HG21 ILE A 141 1.119 -4.554 9.151 1.00 41.13 H new ATOM 0 HG22 ILE A 141 1.090 -4.566 10.931 1.00 41.13 H new ATOM 0 HG23 ILE A 141 0.557 -6.001 10.022 1.00 41.13 H new ATOM 0 HD11 ILE A 141 -1.467 -4.666 6.587 1.00 73.31 H new ATOM 0 HD12 ILE A 141 -0.819 -3.245 7.441 1.00 73.31 H new ATOM 0 HD13 ILE A 141 0.111 -4.762 7.405 1.00 73.31 H new ATOM 1950 N SER A 142 -0.235 -5.663 13.054 1.00 12.33 N ATOM 1951 CA SER A 142 0.571 -5.584 14.280 1.00 14.30 C ATOM 1952 C SER A 142 1.857 -4.773 14.060 1.00 73.15 C ATOM 1953 O SER A 142 2.425 -4.780 12.969 1.00 25.42 O ATOM 1954 CB SER A 142 0.935 -6.993 14.767 1.00 30.42 C ATOM 1955 OG SER A 142 -0.226 -7.799 14.937 1.00 64.23 O ATOM 0 H SER A 142 -0.285 -6.598 12.649 1.00 12.33 H new ATOM 0 HA SER A 142 -0.030 -5.077 15.035 1.00 14.30 H new ATOM 0 HB2 SER A 142 1.606 -7.466 14.050 1.00 30.42 H new ATOM 0 HB3 SER A 142 1.474 -6.925 15.712 1.00 30.42 H new ATOM 0 HG SER A 142 0.037 -8.691 15.246 1.00 64.23 H new ATOM 1961 N ALA A 143 2.318 -4.094 15.109 1.00 42.14 N ATOM 1962 CA ALA A 143 3.528 -3.263 15.039 1.00 2.32 C ATOM 1963 C ALA A 143 4.733 -4.027 14.462 1.00 50.14 C ATOM 1964 O ALA A 143 5.465 -3.505 13.613 1.00 11.14 O ATOM 1965 CB ALA A 143 3.858 -2.715 16.420 1.00 3.00 C ATOM 0 H ALA A 143 1.871 -4.101 16.026 1.00 42.14 H new ATOM 0 HA ALA A 143 3.321 -2.438 14.357 1.00 2.32 H new ATOM 0 HB1 ALA A 143 4.756 -2.100 16.362 1.00 3.00 H new ATOM 0 HB2 ALA A 143 3.026 -2.110 16.780 1.00 3.00 H new ATOM 0 HB3 ALA A 143 4.029 -3.543 17.109 1.00 3.00 H new ATOM 1971 N GLY A 144 4.934 -5.256 14.927 1.00 14.04 N ATOM 1972 CA GLY A 144 6.010 -6.093 14.403 1.00 73.52 C ATOM 1973 C GLY A 144 5.762 -6.556 12.968 1.00 31.24 C ATOM 1974 O GLY A 144 6.693 -6.649 12.167 1.00 42.41 O ATOM 0 H GLY A 144 4.373 -5.692 15.658 1.00 14.04 H new ATOM 0 HA2 GLY A 144 6.947 -5.538 14.443 1.00 73.52 H new ATOM 0 HA3 GLY A 144 6.129 -6.966 15.045 1.00 73.52 H new ATOM 1978 N GLU A 145 4.503 -6.846 12.644 1.00 12.34 N ATOM 1979 CA GLU A 145 4.121 -7.292 11.297 1.00 41.44 C ATOM 1980 C GLU A 145 4.289 -6.166 10.259 1.00 31.44 C ATOM 1981 O GLU A 145 4.648 -6.416 9.109 1.00 33.24 O ATOM 1982 CB GLU A 145 2.669 -7.800 11.308 1.00 25.55 C ATOM 1983 CG GLU A 145 2.190 -8.338 9.965 1.00 62.40 C ATOM 1984 CD GLU A 145 0.783 -8.918 10.022 1.00 22.12 C ATOM 1985 OE1 GLU A 145 -0.195 -8.146 9.941 1.00 70.43 O ATOM 1986 OE2 GLU A 145 0.646 -10.157 10.141 1.00 53.45 O ATOM 0 H GLU A 145 3.723 -6.781 13.298 1.00 12.34 H new ATOM 0 HA GLU A 145 4.786 -8.106 11.008 1.00 41.44 H new ATOM 0 HB2 GLU A 145 2.576 -8.586 12.057 1.00 25.55 H new ATOM 0 HB3 GLU A 145 2.013 -6.986 11.617 1.00 25.55 H new ATOM 0 HG2 GLU A 145 2.216 -7.535 9.228 1.00 62.40 H new ATOM 0 HG3 GLU A 145 2.881 -9.108 9.622 1.00 62.40 H new ATOM 1993 N ALA A 146 4.045 -4.923 10.682 1.00 32.54 N ATOM 1994 CA ALA A 146 4.177 -3.746 9.806 1.00 64.50 C ATOM 1995 C ALA A 146 5.580 -3.652 9.180 1.00 3.00 C ATOM 1996 O ALA A 146 5.737 -3.261 8.021 1.00 30.22 O ATOM 1997 CB ALA A 146 3.859 -2.474 10.592 1.00 52.14 C ATOM 0 H ALA A 146 3.752 -4.700 11.633 1.00 32.54 H new ATOM 0 HA ALA A 146 3.463 -3.856 8.990 1.00 64.50 H new ATOM 0 HB1 ALA A 146 3.959 -1.608 9.938 1.00 52.14 H new ATOM 0 HB2 ALA A 146 2.839 -2.527 10.972 1.00 52.14 H new ATOM 0 HB3 ALA A 146 4.553 -2.380 11.427 1.00 52.14 H new ATOM 2003 N SER A 147 6.596 -4.046 9.949 1.00 65.32 N ATOM 2004 CA SER A 147 7.995 -4.016 9.481 1.00 23.14 C ATOM 2005 C SER A 147 8.261 -5.039 8.354 1.00 14.41 C ATOM 2006 O SER A 147 9.360 -5.093 7.796 1.00 32.02 O ATOM 2007 CB SER A 147 8.950 -4.277 10.660 1.00 42.33 C ATOM 2008 OG SER A 147 10.309 -4.257 10.250 1.00 15.13 O ATOM 0 H SER A 147 6.482 -4.392 10.902 1.00 65.32 H new ATOM 0 HA SER A 147 8.176 -3.023 9.069 1.00 23.14 H new ATOM 0 HB2 SER A 147 8.791 -3.523 11.431 1.00 42.33 H new ATOM 0 HB3 SER A 147 8.719 -5.244 11.108 1.00 42.33 H new ATOM 0 HG SER A 147 10.362 -4.424 9.286 1.00 15.13 H new ATOM 2014 N SER A 148 7.249 -5.841 8.016 1.00 14.12 N ATOM 2015 CA SER A 148 7.363 -6.843 6.939 1.00 41.13 C ATOM 2016 C SER A 148 6.879 -6.283 5.590 1.00 63.34 C ATOM 2017 O SER A 148 6.912 -6.972 4.569 1.00 63.12 O ATOM 2018 CB SER A 148 6.545 -8.095 7.300 1.00 75.55 C ATOM 2019 OG SER A 148 6.662 -9.106 6.307 1.00 25.24 O ATOM 0 H SER A 148 6.336 -5.820 8.471 1.00 14.12 H new ATOM 0 HA SER A 148 8.416 -7.105 6.839 1.00 41.13 H new ATOM 0 HB2 SER A 148 6.884 -8.487 8.259 1.00 75.55 H new ATOM 0 HB3 SER A 148 5.496 -7.822 7.419 1.00 75.55 H new ATOM 0 HG SER A 148 6.699 -8.691 5.420 1.00 25.24 H new ATOM 2025 N TYR A 149 6.437 -5.026 5.584 1.00 3.32 N ATOM 2026 CA TYR A 149 5.856 -4.421 4.381 1.00 73.35 C ATOM 2027 C TYR A 149 6.653 -3.197 3.892 1.00 24.15 C ATOM 2028 O TYR A 149 7.326 -2.521 4.672 1.00 63.21 O ATOM 2029 CB TYR A 149 4.404 -4.017 4.661 1.00 21.43 C ATOM 2030 CG TYR A 149 3.569 -5.143 5.242 1.00 50.20 C ATOM 2031 CD1 TYR A 149 3.291 -6.275 4.493 1.00 14.45 C ATOM 2032 CD2 TYR A 149 3.064 -5.073 6.536 1.00 21.42 C ATOM 2033 CE1 TYR A 149 2.539 -7.309 5.013 1.00 10.41 C ATOM 2034 CE2 TYR A 149 2.309 -6.106 7.063 1.00 2.23 C ATOM 2035 CZ TYR A 149 2.049 -7.221 6.296 1.00 75.41 C ATOM 2036 OH TYR A 149 1.309 -8.260 6.815 1.00 21.23 O ATOM 0 H TYR A 149 6.469 -4.407 6.394 1.00 3.32 H new ATOM 0 HA TYR A 149 5.895 -5.168 3.588 1.00 73.35 H new ATOM 0 HB2 TYR A 149 4.396 -3.174 5.352 1.00 21.43 H new ATOM 0 HB3 TYR A 149 3.944 -3.674 3.734 1.00 21.43 H new ATOM 0 HD1 TYR A 149 3.669 -6.350 3.484 1.00 14.45 H new ATOM 0 HD2 TYR A 149 3.264 -4.199 7.139 1.00 21.42 H new ATOM 0 HE1 TYR A 149 2.336 -8.185 4.415 1.00 10.41 H new ATOM 0 HE2 TYR A 149 1.925 -6.039 8.070 1.00 2.23 H new ATOM 0 HH TYR A 149 1.602 -9.104 6.412 1.00 21.23 H new ATOM 2046 N ASN A 150 6.565 -2.930 2.587 1.00 3.12 N ATOM 2047 CA ASN A 150 7.210 -1.757 1.978 1.00 42.10 C ATOM 2048 C ASN A 150 6.182 -0.643 1.735 1.00 15.12 C ATOM 2049 O ASN A 150 5.253 -0.813 0.946 1.00 34.22 O ATOM 2050 CB ASN A 150 7.866 -2.143 0.649 1.00 32.33 C ATOM 2051 CG ASN A 150 8.827 -3.305 0.796 1.00 63.14 C ATOM 2052 OD1 ASN A 150 10.016 -3.123 1.033 1.00 53.33 O ATOM 2053 ND2 ASN A 150 8.317 -4.510 0.656 1.00 20.12 N ATOM 0 H ASN A 150 6.051 -3.512 1.926 1.00 3.12 H new ATOM 0 HA ASN A 150 7.974 -1.393 2.665 1.00 42.10 H new ATOM 0 HB2 ASN A 150 7.092 -2.404 -0.073 1.00 32.33 H new ATOM 0 HB3 ASN A 150 8.400 -1.282 0.247 1.00 32.33 H new ATOM 0 HD21 ASN A 150 8.916 -5.331 0.744 1.00 20.12 H new ATOM 0 HD22 ASN A 150 7.323 -4.623 0.459 1.00 20.12 H new ATOM 2060 N TYR A 151 6.353 0.489 2.408 1.00 73.15 N ATOM 2061 CA TYR A 151 5.403 1.605 2.303 1.00 63.11 C ATOM 2062 C TYR A 151 5.845 2.638 1.253 1.00 2.13 C ATOM 2063 O TYR A 151 6.850 3.334 1.425 1.00 75.23 O ATOM 2064 CB TYR A 151 5.237 2.282 3.668 1.00 33.54 C ATOM 2065 CG TYR A 151 4.655 1.369 4.733 1.00 55.51 C ATOM 2066 CD1 TYR A 151 5.472 0.516 5.470 1.00 3.32 C ATOM 2067 CD2 TYR A 151 3.289 1.356 4.997 1.00 45.22 C ATOM 2068 CE1 TYR A 151 4.945 -0.321 6.437 1.00 22.21 C ATOM 2069 CE2 TYR A 151 2.757 0.522 5.963 1.00 44.14 C ATOM 2070 CZ TYR A 151 3.587 -0.313 6.679 1.00 4.22 C ATOM 2071 OH TYR A 151 3.057 -1.144 7.641 1.00 53.23 O ATOM 0 H TYR A 151 7.139 0.664 3.034 1.00 73.15 H new ATOM 0 HA TYR A 151 4.446 1.195 1.979 1.00 63.11 H new ATOM 0 HB2 TYR A 151 6.208 2.646 4.004 1.00 33.54 H new ATOM 0 HB3 TYR A 151 4.592 3.153 3.556 1.00 33.54 H new ATOM 0 HD1 TYR A 151 6.536 0.508 5.283 1.00 3.32 H new ATOM 0 HD2 TYR A 151 2.634 2.008 4.438 1.00 45.22 H new ATOM 0 HE1 TYR A 151 5.593 -0.977 6.999 1.00 22.21 H new ATOM 0 HE2 TYR A 151 1.694 0.525 6.156 1.00 44.14 H new ATOM 0 HH TYR A 151 2.087 -1.014 7.687 1.00 53.23 H new ATOM 2081 N ILE A 152 5.080 2.737 0.166 1.00 43.41 N ATOM 2082 CA ILE A 152 5.364 3.697 -0.905 1.00 53.15 C ATOM 2083 C ILE A 152 4.848 5.102 -0.549 1.00 52.35 C ATOM 2084 O ILE A 152 3.679 5.281 -0.198 1.00 52.35 O ATOM 2085 CB ILE A 152 4.732 3.267 -2.262 1.00 12.41 C ATOM 2086 CG1 ILE A 152 5.252 1.889 -2.727 1.00 40.44 C ATOM 2087 CG2 ILE A 152 4.998 4.321 -3.338 1.00 52.31 C ATOM 2088 CD1 ILE A 152 4.662 0.714 -1.976 1.00 42.31 C ATOM 0 H ILE A 152 4.254 2.161 0.002 1.00 43.41 H new ATOM 0 HA ILE A 152 6.449 3.718 -1.010 1.00 53.15 H new ATOM 0 HB ILE A 152 3.657 3.181 -2.106 1.00 12.41 H new ATOM 0 HG12 ILE A 152 5.036 1.772 -3.789 1.00 40.44 H new ATOM 0 HG13 ILE A 152 6.336 1.867 -2.618 1.00 40.44 H new ATOM 0 HG21 ILE A 152 4.549 4.002 -4.279 1.00 52.31 H new ATOM 0 HG22 ILE A 152 4.562 5.272 -3.031 1.00 52.31 H new ATOM 0 HG23 ILE A 152 6.073 4.441 -3.472 1.00 52.31 H new ATOM 0 HD11 ILE A 152 5.081 -0.214 -2.365 1.00 42.31 H new ATOM 0 HD12 ILE A 152 4.900 0.803 -0.916 1.00 42.31 H new ATOM 0 HD13 ILE A 152 3.580 0.706 -2.105 1.00 42.31 H new ATOM 2100 N HIS A 153 5.733 6.091 -0.641 1.00 73.03 N ATOM 2101 CA HIS A 153 5.369 7.498 -0.455 1.00 42.44 C ATOM 2102 C HIS A 153 5.478 8.237 -1.793 1.00 1.05 C ATOM 2103 O HIS A 153 6.469 8.093 -2.514 1.00 54.51 O ATOM 2104 CB HIS A 153 6.266 8.159 0.604 1.00 72.22 C ATOM 2105 CG HIS A 153 6.068 7.607 1.982 1.00 43.51 C ATOM 2106 ND1 HIS A 153 5.368 8.269 2.967 1.00 73.35 N ATOM 2107 CD2 HIS A 153 6.483 6.444 2.537 1.00 44.44 C ATOM 2108 CE1 HIS A 153 5.356 7.540 4.065 1.00 10.44 C ATOM 2109 NE2 HIS A 153 6.022 6.423 3.835 1.00 11.20 N ATOM 0 H HIS A 153 6.721 5.943 -0.846 1.00 73.03 H new ATOM 0 HA HIS A 153 4.340 7.553 -0.100 1.00 42.44 H new ATOM 0 HB2 HIS A 153 7.309 8.031 0.316 1.00 72.22 H new ATOM 0 HB3 HIS A 153 6.068 9.231 0.618 1.00 72.22 H new ATOM 0 HD1 HIS A 153 4.927 9.183 2.863 1.00 73.35 H new ATOM 0 HD2 HIS A 153 7.067 5.676 2.052 1.00 44.44 H new ATOM 0 HE1 HIS A 153 4.881 7.811 4.997 1.00 10.44 H new ATOM 2118 N LEU A 154 4.458 9.019 -2.120 1.00 33.33 N ATOM 2119 CA LEU A 154 4.354 9.643 -3.442 1.00 34.50 C ATOM 2120 C LEU A 154 5.145 10.955 -3.529 1.00 3.20 C ATOM 2121 O LEU A 154 5.381 11.467 -4.623 1.00 63.24 O ATOM 2122 CB LEU A 154 2.880 9.908 -3.782 1.00 40.14 C ATOM 2123 CG LEU A 154 1.944 8.695 -3.650 1.00 13.35 C ATOM 2124 CD1 LEU A 154 0.528 9.060 -4.090 1.00 32.34 C ATOM 2125 CD2 LEU A 154 2.475 7.508 -4.454 1.00 65.44 C ATOM 0 H LEU A 154 3.687 9.240 -1.490 1.00 33.33 H new ATOM 0 HA LEU A 154 4.785 8.948 -4.163 1.00 34.50 H new ATOM 0 HB2 LEU A 154 2.512 10.702 -3.132 1.00 40.14 H new ATOM 0 HB3 LEU A 154 2.822 10.281 -4.805 1.00 40.14 H new ATOM 0 HG LEU A 154 1.911 8.402 -2.601 1.00 13.35 H new ATOM 0 HD11 LEU A 154 -0.120 8.189 -3.990 1.00 32.34 H new ATOM 0 HD12 LEU A 154 0.149 9.868 -3.464 1.00 32.34 H new ATOM 0 HD13 LEU A 154 0.542 9.383 -5.131 1.00 32.34 H new ATOM 0 HD21 LEU A 154 1.796 6.662 -4.345 1.00 65.44 H new ATOM 0 HD22 LEU A 154 2.546 7.784 -5.506 1.00 65.44 H new ATOM 0 HD23 LEU A 154 3.462 7.231 -4.085 1.00 65.44 H new