USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=27 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= -0.445 K(o=-0.94,f=-1.9) USER MOD Set 1.2: A 117 ASN : amide:sc= -0.493 K(o=-0.94,f=-2.6) USER MOD Set 2.1: A 60 TYR OH : rot 110:sc= 0.984 USER MOD Set 2.2: A 64 LYS NZ :NH3+ -168:sc= 1.45 (180deg=0.506) USER MOD Set 2.3: A 125 SER OG : rot -110:sc= 1.01 USER MOD Set 3.1: A 57 CYS SG : rot 169:sc= -0.321 USER MOD Set 3.2: A 109 HIS : no HD1:sc= -0.0194 K(o=-0.34,f=-2.9) USER MOD Single : A 53 THR OG1 : rot -45:sc= 0.872 USER MOD Single : A 56 GLN : amide:sc= -2.61! C(o=-2.6!,f=-3.1!) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00298 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.837 K(o=0.84,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -26:sc= 0.663 USER MOD Single : A 75 ASN : amide:sc= -0.0074 K(o=-0.0074,f=-0.81) USER MOD Single : A 77 ASN : amide:sc= 0.147 X(o=0.15,f=-0.093) USER MOD Single : A 78 ASN : amide:sc= -1.91 K(o=-1.9,f=-0.53) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 76:sc= -0.0852 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -154:sc= -0.192 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -2.51! C(o=-2.5!,f=-6.2!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -104:sc= 0.706 USER MOD Single : A 101 GLN : amide:sc= -0.452 K(o=-0.45,f=-9.7!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.917 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 127 MET CE :methyl -117:sc= -1.08 (180deg=-4.06!) 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 -76:sc= 0.744 USER MOD Single : A 148 SER OG : rot -26:sc= 0.224 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= -2.17 K(o=-2.2,f=-9.8!) USER MOD Single : A 151 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 153 HIS : no HD1:sc= 0.441 K(o=0.44,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 723 N THR A 53 -9.900 -5.860 -12.765 1.00 60.25 N ATOM 724 CA THR A 53 -11.251 -6.392 -13.065 1.00 63.32 C ATOM 725 C THR A 53 -12.270 -6.110 -11.946 1.00 15.10 C ATOM 726 O THR A 53 -13.325 -6.749 -11.887 1.00 52.34 O ATOM 727 CB THR A 53 -11.214 -7.923 -13.322 1.00 73.42 C ATOM 728 OG1 THR A 53 -12.486 -8.379 -13.820 1.00 55.11 O ATOM 729 CG2 THR A 53 -10.872 -8.695 -12.050 1.00 0.04 C ATOM 0 HA THR A 53 -11.573 -5.869 -13.965 1.00 63.32 H new ATOM 0 HB THR A 53 -10.438 -8.109 -14.064 1.00 73.42 H new ATOM 0 HG1 THR A 53 -13.207 -7.985 -13.286 1.00 55.11 H new ATOM 0 HG21 THR A 53 -10.855 -9.763 -12.266 1.00 0.04 H new ATOM 0 HG22 THR A 53 -9.893 -8.382 -11.687 1.00 0.04 H new ATOM 0 HG23 THR A 53 -11.624 -8.491 -11.288 1.00 0.04 H new ATOM 737 N ALA A 54 -11.969 -5.138 -11.085 1.00 34.55 N ATOM 738 CA ALA A 54 -12.818 -4.822 -9.922 1.00 42.54 C ATOM 739 C ALA A 54 -12.842 -5.971 -8.899 1.00 25.42 C ATOM 740 O ALA A 54 -12.628 -7.135 -9.242 1.00 40.14 O ATOM 741 CB ALA A 54 -14.235 -4.453 -10.366 1.00 3.42 C ATOM 0 H ALA A 54 -11.140 -4.549 -11.167 1.00 34.55 H new ATOM 0 HA ALA A 54 -12.379 -3.957 -9.425 1.00 42.54 H new ATOM 0 HB1 ALA A 54 -14.843 -4.224 -9.490 1.00 3.42 H new ATOM 0 HB2 ALA A 54 -14.196 -3.581 -11.019 1.00 3.42 H new ATOM 0 HB3 ALA A 54 -14.677 -5.291 -10.905 1.00 3.42 H new ATOM 747 N GLY A 55 -13.070 -5.636 -7.632 1.00 21.32 N ATOM 748 CA GLY A 55 -13.071 -6.649 -6.578 1.00 1.24 C ATOM 749 C GLY A 55 -11.668 -6.984 -6.077 1.00 14.15 C ATOM 750 O GLY A 55 -11.475 -7.299 -4.899 1.00 32.24 O ATOM 0 H GLY A 55 -13.254 -4.685 -7.312 1.00 21.32 H new ATOM 0 HA2 GLY A 55 -13.676 -6.296 -5.742 1.00 1.24 H new ATOM 0 HA3 GLY A 55 -13.544 -7.556 -6.953 1.00 1.24 H new ATOM 754 N GLN A 56 -10.693 -6.933 -6.983 1.00 30.11 N ATOM 755 CA GLN A 56 -9.284 -7.147 -6.634 1.00 54.52 C ATOM 756 C GLN A 56 -8.790 -6.069 -5.651 1.00 41.24 C ATOM 757 O GLN A 56 -9.126 -4.892 -5.792 1.00 44.12 O ATOM 758 CB GLN A 56 -8.419 -7.113 -7.906 1.00 64.25 C ATOM 759 CG GLN A 56 -8.777 -8.177 -8.946 1.00 55.21 C ATOM 760 CD GLN A 56 -8.032 -7.989 -10.260 1.00 32.24 C ATOM 761 OE1 GLN A 56 -7.720 -6.873 -10.652 1.00 65.32 O ATOM 762 NE2 GLN A 56 -7.749 -9.071 -10.953 1.00 31.24 N ATOM 0 H GLN A 56 -10.852 -6.744 -7.973 1.00 30.11 H new ATOM 0 HA GLN A 56 -9.197 -8.122 -6.155 1.00 54.52 H new ATOM 0 HB2 GLN A 56 -8.510 -6.129 -8.366 1.00 64.25 H new ATOM 0 HB3 GLN A 56 -7.374 -7.237 -7.623 1.00 64.25 H new ATOM 0 HG2 GLN A 56 -8.550 -9.164 -8.543 1.00 55.21 H new ATOM 0 HG3 GLN A 56 -9.850 -8.148 -9.134 1.00 55.21 H new ATOM 0 HE21 GLN A 56 -8.022 -9.988 -10.600 1.00 31.24 H new ATOM 0 HE22 GLN A 56 -7.257 -8.992 -11.843 1.00 31.24 H new ATOM 771 N CYS A 57 -7.987 -6.472 -4.666 1.00 35.32 N ATOM 772 CA CYS A 57 -7.423 -5.525 -3.688 1.00 50.02 C ATOM 773 C CYS A 57 -6.688 -4.378 -4.395 1.00 41.31 C ATOM 774 O CYS A 57 -6.866 -3.208 -4.060 1.00 1.40 O ATOM 775 CB CYS A 57 -6.457 -6.243 -2.737 1.00 63.23 C ATOM 776 SG CYS A 57 -5.019 -6.979 -3.559 1.00 53.13 S ATOM 0 H CYS A 57 -7.710 -7.443 -4.519 1.00 35.32 H new ATOM 0 HA CYS A 57 -8.251 -5.111 -3.113 1.00 50.02 H new ATOM 0 HB2 CYS A 57 -6.109 -5.534 -1.986 1.00 63.23 H new ATOM 0 HB3 CYS A 57 -7.000 -7.026 -2.208 1.00 63.23 H new ATOM 0 HG CYS A 57 -4.152 -7.351 -2.665 1.00 53.13 H new ATOM 782 N THR A 58 -5.869 -4.737 -5.383 1.00 62.31 N ATOM 783 CA THR A 58 -5.138 -3.761 -6.208 1.00 53.12 C ATOM 784 C THR A 58 -6.075 -2.708 -6.821 1.00 32.13 C ATOM 785 O THR A 58 -5.761 -1.518 -6.837 1.00 53.21 O ATOM 786 CB THR A 58 -4.370 -4.464 -7.351 1.00 71.41 C ATOM 787 OG1 THR A 58 -5.288 -5.206 -8.173 1.00 61.21 O ATOM 788 CG2 THR A 58 -3.303 -5.408 -6.801 1.00 3.33 C ATOM 0 H THR A 58 -5.690 -5.708 -5.638 1.00 62.31 H new ATOM 0 HA THR A 58 -4.435 -3.262 -5.541 1.00 53.12 H new ATOM 0 HB THR A 58 -3.877 -3.696 -7.948 1.00 71.41 H new ATOM 0 HG1 THR A 58 -4.796 -5.648 -8.896 1.00 61.21 H new ATOM 0 HG21 THR A 58 -2.780 -5.888 -7.628 1.00 3.33 H new ATOM 0 HG22 THR A 58 -2.591 -4.842 -6.201 1.00 3.33 H new ATOM 0 HG23 THR A 58 -3.776 -6.169 -6.181 1.00 3.33 H new ATOM 796 N TRP A 59 -7.222 -3.159 -7.334 1.00 40.51 N ATOM 797 CA TRP A 59 -8.238 -2.259 -7.899 1.00 43.53 C ATOM 798 C TRP A 59 -8.688 -1.211 -6.867 1.00 0.42 C ATOM 799 O TRP A 59 -8.740 -0.012 -7.154 1.00 1.40 O ATOM 800 CB TRP A 59 -9.449 -3.078 -8.380 1.00 13.10 C ATOM 801 CG TRP A 59 -10.533 -2.255 -9.026 1.00 61.40 C ATOM 802 CD1 TRP A 59 -10.656 -1.952 -10.351 1.00 12.11 C ATOM 803 CD2 TRP A 59 -11.654 -1.642 -8.373 1.00 31.14 C ATOM 804 NE1 TRP A 59 -11.769 -1.184 -10.562 1.00 40.54 N ATOM 805 CE2 TRP A 59 -12.402 -0.981 -9.365 1.00 44.33 C ATOM 806 CE3 TRP A 59 -12.096 -1.587 -7.048 1.00 34.35 C ATOM 807 CZ2 TRP A 59 -13.565 -0.274 -9.073 1.00 72.02 C ATOM 808 CZ3 TRP A 59 -13.250 -0.885 -6.759 1.00 4.34 C ATOM 809 CH2 TRP A 59 -13.975 -0.238 -7.768 1.00 11.11 C ATOM 0 H TRP A 59 -7.474 -4.147 -7.371 1.00 40.51 H new ATOM 0 HA TRP A 59 -7.796 -1.732 -8.745 1.00 43.53 H new ATOM 0 HB2 TRP A 59 -9.106 -3.829 -9.091 1.00 13.10 H new ATOM 0 HB3 TRP A 59 -9.872 -3.613 -7.530 1.00 13.10 H new ATOM 0 HD1 TRP A 59 -9.972 -2.273 -11.123 1.00 12.11 H new ATOM 0 HE1 TRP A 59 -12.077 -0.822 -11.464 1.00 40.54 H new ATOM 0 HE3 TRP A 59 -11.545 -2.085 -6.264 1.00 34.35 H new ATOM 0 HZ2 TRP A 59 -14.124 0.228 -9.849 1.00 72.02 H new ATOM 0 HZ3 TRP A 59 -13.599 -0.834 -5.738 1.00 4.34 H new ATOM 0 HH2 TRP A 59 -14.875 0.300 -7.511 1.00 11.11 H new ATOM 820 N TYR A 60 -9.009 -1.681 -5.662 1.00 53.22 N ATOM 821 CA TYR A 60 -9.445 -0.801 -4.571 1.00 64.02 C ATOM 822 C TYR A 60 -8.335 0.177 -4.154 1.00 61.52 C ATOM 823 O TYR A 60 -8.581 1.370 -3.959 1.00 21.34 O ATOM 824 CB TYR A 60 -9.888 -1.646 -3.368 1.00 51.04 C ATOM 825 CG TYR A 60 -10.253 -0.829 -2.143 1.00 54.33 C ATOM 826 CD1 TYR A 60 -11.372 -0.001 -2.142 1.00 23.05 C ATOM 827 CD2 TYR A 60 -9.472 -0.877 -0.994 1.00 24.53 C ATOM 828 CE1 TYR A 60 -11.700 0.752 -1.031 1.00 44.02 C ATOM 829 CE2 TYR A 60 -9.793 -0.125 0.118 1.00 60.14 C ATOM 830 CZ TYR A 60 -10.906 0.686 0.096 1.00 22.02 C ATOM 831 OH TYR A 60 -11.222 1.441 1.203 1.00 62.43 O ATOM 0 H TYR A 60 -8.976 -2.670 -5.413 1.00 53.22 H new ATOM 0 HA TYR A 60 -10.287 -0.209 -4.930 1.00 64.02 H new ATOM 0 HB2 TYR A 60 -10.747 -2.251 -3.658 1.00 51.04 H new ATOM 0 HB3 TYR A 60 -9.086 -2.336 -3.106 1.00 51.04 H new ATOM 0 HD1 TYR A 60 -11.994 0.054 -3.024 1.00 23.05 H new ATOM 0 HD2 TYR A 60 -8.600 -1.513 -0.971 1.00 24.53 H new ATOM 0 HE1 TYR A 60 -12.572 1.388 -1.044 1.00 44.02 H new ATOM 0 HE2 TYR A 60 -9.174 -0.172 1.002 1.00 60.14 H new ATOM 0 HH TYR A 60 -11.534 0.853 1.922 1.00 62.43 H new ATOM 841 N VAL A 61 -7.116 -0.331 -4.008 1.00 23.45 N ATOM 842 CA VAL A 61 -5.970 0.506 -3.637 1.00 11.52 C ATOM 843 C VAL A 61 -5.718 1.607 -4.680 1.00 4.13 C ATOM 844 O VAL A 61 -5.470 2.764 -4.330 1.00 34.30 O ATOM 845 CB VAL A 61 -4.689 -0.346 -3.466 1.00 0.32 C ATOM 846 CG1 VAL A 61 -3.493 0.526 -3.083 1.00 71.30 C ATOM 847 CG2 VAL A 61 -4.913 -1.443 -2.430 1.00 51.10 C ATOM 0 H VAL A 61 -6.891 -1.317 -4.140 1.00 23.45 H new ATOM 0 HA VAL A 61 -6.214 0.976 -2.684 1.00 11.52 H new ATOM 0 HB VAL A 61 -4.464 -0.816 -4.424 1.00 0.32 H new ATOM 0 HG11 VAL A 61 -2.608 -0.100 -2.970 1.00 71.30 H new ATOM 0 HG12 VAL A 61 -3.317 1.266 -3.864 1.00 71.30 H new ATOM 0 HG13 VAL A 61 -3.700 1.035 -2.142 1.00 71.30 H new ATOM 0 HG21 VAL A 61 -4.003 -2.033 -2.322 1.00 51.10 H new ATOM 0 HG22 VAL A 61 -5.169 -0.991 -1.471 1.00 51.10 H new ATOM 0 HG23 VAL A 61 -5.728 -2.090 -2.755 1.00 51.10 H new ATOM 857 N TYR A 62 -5.796 1.238 -5.957 1.00 41.45 N ATOM 858 CA TYR A 62 -5.630 2.188 -7.062 1.00 35.43 C ATOM 859 C TYR A 62 -6.604 3.373 -6.939 1.00 42.11 C ATOM 860 O TYR A 62 -6.242 4.523 -7.212 1.00 71.30 O ATOM 861 CB TYR A 62 -5.828 1.453 -8.399 1.00 64.54 C ATOM 862 CG TYR A 62 -5.748 2.342 -9.628 1.00 54.44 C ATOM 863 CD1 TYR A 62 -4.585 3.041 -9.934 1.00 43.54 C ATOM 864 CD2 TYR A 62 -6.840 2.486 -10.484 1.00 63.15 C ATOM 865 CE1 TYR A 62 -4.510 3.854 -11.050 1.00 50.13 C ATOM 866 CE2 TYR A 62 -6.770 3.299 -11.600 1.00 4.51 C ATOM 867 CZ TYR A 62 -5.604 3.980 -11.880 1.00 23.51 C ATOM 868 OH TYR A 62 -5.537 4.793 -12.990 1.00 61.24 O ATOM 0 H TYR A 62 -5.975 0.280 -6.257 1.00 41.45 H new ATOM 0 HA TYR A 62 -4.621 2.598 -7.021 1.00 35.43 H new ATOM 0 HB2 TYR A 62 -5.074 0.670 -8.483 1.00 64.54 H new ATOM 0 HB3 TYR A 62 -6.800 0.959 -8.387 1.00 64.54 H new ATOM 0 HD1 TYR A 62 -3.725 2.947 -9.288 1.00 43.54 H new ATOM 0 HD2 TYR A 62 -7.755 1.954 -10.271 1.00 63.15 H new ATOM 0 HE1 TYR A 62 -3.598 4.388 -11.271 1.00 50.13 H new ATOM 0 HE2 TYR A 62 -7.626 3.400 -12.251 1.00 4.51 H new ATOM 0 HH TYR A 62 -6.393 4.768 -13.466 1.00 61.24 H new ATOM 878 N ASP A 63 -7.830 3.091 -6.508 1.00 21.54 N ATOM 879 CA ASP A 63 -8.835 4.136 -6.308 1.00 53.22 C ATOM 880 C ASP A 63 -8.522 4.984 -5.062 1.00 25.54 C ATOM 881 O ASP A 63 -8.524 6.216 -5.119 1.00 71.05 O ATOM 882 CB ASP A 63 -10.231 3.513 -6.187 1.00 75.13 C ATOM 883 CG ASP A 63 -11.333 4.556 -6.264 1.00 13.51 C ATOM 884 OD1 ASP A 63 -11.611 5.221 -5.242 1.00 40.51 O ATOM 885 OD2 ASP A 63 -11.914 4.729 -7.358 1.00 2.41 O ATOM 0 H ASP A 63 -8.154 2.149 -6.290 1.00 21.54 H new ATOM 0 HA ASP A 63 -8.812 4.794 -7.177 1.00 53.22 H new ATOM 0 HB2 ASP A 63 -10.370 2.780 -6.982 1.00 75.13 H new ATOM 0 HB3 ASP A 63 -10.307 2.976 -5.242 1.00 75.13 H new ATOM 890 N LYS A 64 -8.243 4.314 -3.939 1.00 24.43 N ATOM 891 CA LYS A 64 -7.949 4.997 -2.666 1.00 3.42 C ATOM 892 C LYS A 64 -6.747 5.949 -2.777 1.00 53.41 C ATOM 893 O LYS A 64 -6.738 7.024 -2.177 1.00 2.12 O ATOM 894 CB LYS A 64 -7.697 3.966 -1.556 1.00 15.33 C ATOM 895 CG LYS A 64 -8.938 3.167 -1.172 1.00 22.23 C ATOM 896 CD LYS A 64 -9.988 4.038 -0.482 1.00 72.40 C ATOM 897 CE LYS A 64 -9.553 4.468 0.916 1.00 13.03 C ATOM 898 NZ LYS A 64 -9.487 3.320 1.862 1.00 24.32 N ATOM 0 H LYS A 64 -8.214 3.296 -3.882 1.00 24.43 H new ATOM 0 HA LYS A 64 -8.822 5.600 -2.417 1.00 3.42 H new ATOM 0 HB2 LYS A 64 -6.918 3.277 -1.882 1.00 15.33 H new ATOM 0 HB3 LYS A 64 -7.319 4.481 -0.673 1.00 15.33 H new ATOM 0 HG2 LYS A 64 -9.370 2.717 -2.066 1.00 22.23 H new ATOM 0 HG3 LYS A 64 -8.653 2.350 -0.510 1.00 22.23 H new ATOM 0 HD2 LYS A 64 -10.179 4.923 -1.089 1.00 72.40 H new ATOM 0 HD3 LYS A 64 -10.927 3.488 -0.415 1.00 72.40 H new ATOM 0 HE2 LYS A 64 -8.575 4.947 0.859 1.00 13.03 H new ATOM 0 HE3 LYS A 64 -10.251 5.213 1.299 1.00 13.03 H new ATOM 0 HZ1 LYS A 64 -9.389 3.676 2.834 1.00 24.32 H new ATOM 0 HZ2 LYS A 64 -10.358 2.757 1.786 1.00 24.32 H new ATOM 0 HZ3 LYS A 64 -8.668 2.724 1.628 1.00 24.32 H new ATOM 912 N VAL A 65 -5.746 5.554 -3.558 1.00 31.13 N ATOM 913 CA VAL A 65 -4.544 6.377 -3.765 1.00 72.12 C ATOM 914 C VAL A 65 -4.791 7.484 -4.821 1.00 55.11 C ATOM 915 O VAL A 65 -3.859 8.143 -5.293 1.00 12.14 O ATOM 916 CB VAL A 65 -3.345 5.487 -4.195 1.00 20.52 C ATOM 917 CG1 VAL A 65 -3.526 4.969 -5.621 1.00 5.11 C ATOM 918 CG2 VAL A 65 -2.021 6.231 -4.039 1.00 4.11 C ATOM 0 H VAL A 65 -5.737 4.667 -4.062 1.00 31.13 H new ATOM 0 HA VAL A 65 -4.307 6.861 -2.818 1.00 72.12 H new ATOM 0 HB VAL A 65 -3.318 4.623 -3.531 1.00 20.52 H new ATOM 0 HG11 VAL A 65 -2.672 4.349 -5.894 1.00 5.11 H new ATOM 0 HG12 VAL A 65 -4.438 4.375 -5.679 1.00 5.11 H new ATOM 0 HG13 VAL A 65 -3.597 5.812 -6.308 1.00 5.11 H new ATOM 0 HG21 VAL A 65 -1.201 5.583 -4.348 1.00 4.11 H new ATOM 0 HG22 VAL A 65 -2.031 7.125 -4.662 1.00 4.11 H new ATOM 0 HG23 VAL A 65 -1.885 6.517 -2.996 1.00 4.11 H new ATOM 928 N GLY A 66 -6.058 7.678 -5.188 1.00 73.42 N ATOM 929 CA GLY A 66 -6.426 8.706 -6.158 1.00 41.05 C ATOM 930 C GLY A 66 -5.870 8.453 -7.556 1.00 50.10 C ATOM 931 O GLY A 66 -5.777 9.375 -8.365 1.00 35.01 O ATOM 0 H GLY A 66 -6.844 7.137 -4.828 1.00 73.42 H new ATOM 0 HA2 GLY A 66 -7.513 8.769 -6.214 1.00 41.05 H new ATOM 0 HA3 GLY A 66 -6.069 9.673 -5.803 1.00 41.05 H new ATOM 935 N GLY A 67 -5.491 7.207 -7.834 1.00 2.03 N ATOM 936 CA GLY A 67 -4.931 6.858 -9.137 1.00 71.14 C ATOM 937 C GLY A 67 -3.645 7.613 -9.476 1.00 43.12 C ATOM 938 O GLY A 67 -3.304 7.770 -10.647 1.00 14.13 O ATOM 0 H GLY A 67 -5.561 6.428 -7.179 1.00 2.03 H new ATOM 0 HA2 GLY A 67 -4.730 5.787 -9.161 1.00 71.14 H new ATOM 0 HA3 GLY A 67 -5.674 7.060 -9.908 1.00 71.14 H new ATOM 942 N ASN A 68 -2.924 8.079 -8.455 1.00 72.14 N ATOM 943 CA ASN A 68 -1.670 8.822 -8.665 1.00 0.14 C ATOM 944 C ASN A 68 -0.459 7.881 -8.784 1.00 61.25 C ATOM 945 O ASN A 68 0.691 8.325 -8.785 1.00 72.43 O ATOM 946 CB ASN A 68 -1.447 9.827 -7.524 1.00 40.30 C ATOM 947 CG ASN A 68 -2.520 10.900 -7.475 1.00 30.35 C ATOM 948 OD1 ASN A 68 -2.420 11.929 -8.137 1.00 71.03 O ATOM 949 ND2 ASN A 68 -3.546 10.681 -6.678 1.00 50.04 N ATOM 0 H ASN A 68 -3.182 7.958 -7.476 1.00 72.14 H new ATOM 0 HA ASN A 68 -1.764 9.361 -9.607 1.00 0.14 H new ATOM 0 HB2 ASN A 68 -1.427 9.294 -6.573 1.00 40.30 H new ATOM 0 HB3 ASN A 68 -0.472 10.298 -7.645 1.00 40.30 H new ATOM 0 HD21 ASN A 68 -4.287 11.377 -6.598 1.00 50.04 H new ATOM 0 HD22 ASN A 68 -3.599 9.815 -6.141 1.00 50.04 H new ATOM 956 N ILE A 69 -0.718 6.579 -8.890 1.00 52.52 N ATOM 957 CA ILE A 69 0.349 5.585 -9.033 1.00 23.33 C ATOM 958 C ILE A 69 0.345 4.955 -10.434 1.00 71.13 C ATOM 959 O ILE A 69 -0.707 4.819 -11.067 1.00 42.24 O ATOM 960 CB ILE A 69 0.226 4.455 -7.977 1.00 71.32 C ATOM 961 CG1 ILE A 69 -1.118 3.716 -8.122 1.00 10.52 C ATOM 962 CG2 ILE A 69 0.384 5.025 -6.567 1.00 24.55 C ATOM 963 CD1 ILE A 69 -1.282 2.541 -7.177 1.00 51.21 C ATOM 0 H ILE A 69 -1.659 6.185 -8.880 1.00 52.52 H new ATOM 0 HA ILE A 69 1.287 6.118 -8.878 1.00 23.33 H new ATOM 0 HB ILE A 69 1.026 3.734 -8.148 1.00 71.32 H new ATOM 0 HG12 ILE A 69 -1.930 4.423 -7.950 1.00 10.52 H new ATOM 0 HG13 ILE A 69 -1.216 3.360 -9.148 1.00 10.52 H new ATOM 0 HG21 ILE A 69 0.295 4.220 -5.837 1.00 24.55 H new ATOM 0 HG22 ILE A 69 1.363 5.495 -6.472 1.00 24.55 H new ATOM 0 HG23 ILE A 69 -0.394 5.767 -6.385 1.00 24.55 H new ATOM 0 HD11 ILE A 69 -2.253 2.074 -7.342 1.00 51.21 H new ATOM 0 HD12 ILE A 69 -0.493 1.812 -7.363 1.00 51.21 H new ATOM 0 HD13 ILE A 69 -1.218 2.891 -6.147 1.00 51.21 H new ATOM 975 N GLY A 70 1.525 4.574 -10.913 1.00 5.33 N ATOM 976 CA GLY A 70 1.631 3.902 -12.204 1.00 15.15 C ATOM 977 C GLY A 70 1.017 2.502 -12.199 1.00 53.50 C ATOM 978 O GLY A 70 1.716 1.511 -12.013 1.00 44.02 O ATOM 0 H GLY A 70 2.413 4.717 -10.433 1.00 5.33 H new ATOM 0 HA2 GLY A 70 1.137 4.507 -12.964 1.00 15.15 H new ATOM 0 HA3 GLY A 70 2.682 3.831 -12.486 1.00 15.15 H new ATOM 982 N SER A 71 -0.295 2.422 -12.420 1.00 24.55 N ATOM 983 CA SER A 71 -1.022 1.133 -12.441 1.00 30.04 C ATOM 984 C SER A 71 -0.367 0.104 -13.380 1.00 33.31 C ATOM 985 O SER A 71 -0.570 -1.104 -13.235 1.00 51.50 O ATOM 986 CB SER A 71 -2.479 1.353 -12.867 1.00 0.22 C ATOM 987 OG SER A 71 -2.551 1.946 -14.152 1.00 33.24 O ATOM 0 H SER A 71 -0.888 3.235 -12.589 1.00 24.55 H new ATOM 0 HA SER A 71 -0.984 0.732 -11.428 1.00 30.04 H new ATOM 0 HB2 SER A 71 -3.007 0.400 -12.873 1.00 0.22 H new ATOM 0 HB3 SER A 71 -2.981 1.991 -12.140 1.00 0.22 H new ATOM 0 HG SER A 71 -3.490 2.074 -14.401 1.00 33.24 H new ATOM 993 N THR A 72 0.432 0.591 -14.333 1.00 52.12 N ATOM 994 CA THR A 72 1.132 -0.275 -15.298 1.00 23.44 C ATOM 995 C THR A 72 2.205 -1.163 -14.635 1.00 53.32 C ATOM 996 O THR A 72 2.856 -1.963 -15.309 1.00 53.31 O ATOM 997 CB THR A 72 1.799 0.564 -16.417 1.00 12.30 C ATOM 998 OG1 THR A 72 2.373 -0.293 -17.420 1.00 33.51 O ATOM 999 CG2 THR A 72 2.881 1.481 -15.851 1.00 14.32 C ATOM 0 H THR A 72 0.614 1.586 -14.461 1.00 52.12 H new ATOM 0 HA THR A 72 0.368 -0.925 -15.724 1.00 23.44 H new ATOM 0 HB THR A 72 1.022 1.180 -16.871 1.00 12.30 H new ATOM 0 HG1 THR A 72 2.591 -1.162 -17.022 1.00 33.51 H new ATOM 0 HG21 THR A 72 3.330 2.056 -16.660 1.00 14.32 H new ATOM 0 HG22 THR A 72 2.437 2.162 -15.124 1.00 14.32 H new ATOM 0 HG23 THR A 72 3.649 0.880 -15.364 1.00 14.32 H new ATOM 1007 N TRP A 73 2.397 -1.015 -13.321 1.00 41.41 N ATOM 1008 CA TRP A 73 3.365 -1.839 -12.579 1.00 62.34 C ATOM 1009 C TRP A 73 2.986 -3.331 -12.594 1.00 60.24 C ATOM 1010 O TRP A 73 3.844 -4.195 -12.399 1.00 52.14 O ATOM 1011 CB TRP A 73 3.494 -1.352 -11.130 1.00 31.20 C ATOM 1012 CG TRP A 73 4.037 0.042 -11.003 1.00 31.12 C ATOM 1013 CD1 TRP A 73 4.808 0.713 -11.911 1.00 72.13 C ATOM 1014 CD2 TRP A 73 3.856 0.935 -9.897 1.00 53.31 C ATOM 1015 NE1 TRP A 73 5.116 1.962 -11.436 1.00 53.23 N ATOM 1016 CE2 TRP A 73 4.540 2.124 -10.205 1.00 44.52 C ATOM 1017 CE3 TRP A 73 3.175 0.847 -8.679 1.00 61.42 C ATOM 1018 CZ2 TRP A 73 4.572 3.210 -9.338 1.00 21.21 C ATOM 1019 CZ3 TRP A 73 3.206 1.928 -7.819 1.00 23.45 C ATOM 1020 CH2 TRP A 73 3.897 3.097 -8.153 1.00 44.11 C ATOM 0 H TRP A 73 1.898 -0.335 -12.747 1.00 41.41 H new ATOM 0 HA TRP A 73 4.325 -1.731 -13.083 1.00 62.34 H new ATOM 0 HB2 TRP A 73 2.514 -1.395 -10.654 1.00 31.20 H new ATOM 0 HB3 TRP A 73 4.144 -2.036 -10.584 1.00 31.20 H new ATOM 0 HD1 TRP A 73 5.128 0.317 -12.864 1.00 72.13 H new ATOM 0 HE1 TRP A 73 5.683 2.658 -11.921 1.00 53.23 H new ATOM 0 HE3 TRP A 73 2.634 -0.050 -8.415 1.00 61.42 H new ATOM 0 HZ2 TRP A 73 5.111 4.111 -9.591 1.00 21.21 H new ATOM 0 HZ3 TRP A 73 2.688 1.869 -6.873 1.00 23.45 H new ATOM 0 HH2 TRP A 73 3.898 3.927 -7.462 1.00 44.11 H new ATOM 1031 N GLY A 74 1.706 -3.628 -12.814 1.00 63.41 N ATOM 1032 CA GLY A 74 1.258 -5.017 -12.919 1.00 13.33 C ATOM 1033 C GLY A 74 0.853 -5.635 -11.582 1.00 70.05 C ATOM 1034 O GLY A 74 0.093 -5.036 -10.817 1.00 14.41 O ATOM 0 H GLY A 74 0.967 -2.934 -12.922 1.00 63.41 H new ATOM 0 HA2 GLY A 74 0.411 -5.065 -13.603 1.00 13.33 H new ATOM 0 HA3 GLY A 74 2.057 -5.615 -13.358 1.00 13.33 H new ATOM 1038 N ASN A 75 1.357 -6.838 -11.301 1.00 2.34 N ATOM 1039 CA ASN A 75 0.990 -7.568 -10.082 1.00 42.42 C ATOM 1040 C ASN A 75 1.627 -6.949 -8.827 1.00 62.40 C ATOM 1041 O ASN A 75 2.684 -6.316 -8.888 1.00 22.54 O ATOM 1042 CB ASN A 75 1.381 -9.046 -10.215 1.00 12.32 C ATOM 1043 CG ASN A 75 0.562 -9.761 -11.280 1.00 22.20 C ATOM 1044 OD1 ASN A 75 -0.606 -9.450 -11.496 1.00 43.02 O ATOM 1045 ND2 ASN A 75 1.165 -10.716 -11.959 1.00 14.01 N ATOM 0 H ASN A 75 2.021 -7.329 -11.900 1.00 2.34 H new ATOM 0 HA ASN A 75 -0.091 -7.494 -9.963 1.00 42.42 H new ATOM 0 HB2 ASN A 75 2.440 -9.120 -10.462 1.00 12.32 H new ATOM 0 HB3 ASN A 75 1.242 -9.545 -9.256 1.00 12.32 H new ATOM 0 HD21 ASN A 75 0.660 -11.220 -12.688 1.00 14.01 H new ATOM 0 HD22 ASN A 75 2.137 -10.951 -11.756 1.00 14.01 H new ATOM 1052 N ALA A 76 0.989 -7.174 -7.679 1.00 11.52 N ATOM 1053 CA ALA A 76 1.360 -6.510 -6.417 1.00 33.42 C ATOM 1054 C ALA A 76 2.687 -7.022 -5.803 1.00 42.35 C ATOM 1055 O ALA A 76 2.852 -7.024 -4.582 1.00 21.31 O ATOM 1056 CB ALA A 76 0.215 -6.655 -5.420 1.00 52.31 C ATOM 0 H ALA A 76 0.203 -7.818 -7.591 1.00 11.52 H new ATOM 0 HA ALA A 76 1.535 -5.459 -6.649 1.00 33.42 H new ATOM 0 HB1 ALA A 76 0.484 -6.166 -4.484 1.00 52.31 H new ATOM 0 HB2 ALA A 76 -0.683 -6.191 -5.827 1.00 52.31 H new ATOM 0 HB3 ALA A 76 0.025 -7.712 -5.235 1.00 52.31 H new ATOM 1062 N ASN A 77 3.626 -7.450 -6.645 1.00 1.05 N ATOM 1063 CA ASN A 77 4.997 -7.758 -6.201 1.00 34.22 C ATOM 1064 C ASN A 77 5.989 -6.731 -6.779 1.00 55.52 C ATOM 1065 O ASN A 77 7.107 -6.574 -6.285 1.00 34.15 O ATOM 1066 CB ASN A 77 5.418 -9.167 -6.642 1.00 50.12 C ATOM 1067 CG ASN A 77 4.512 -10.258 -6.111 1.00 31.45 C ATOM 1068 OD1 ASN A 77 4.687 -10.745 -5.000 1.00 74.04 O ATOM 1069 ND2 ASN A 77 3.559 -10.679 -6.914 1.00 21.14 N ATOM 0 H ASN A 77 3.468 -7.594 -7.642 1.00 1.05 H new ATOM 0 HA ASN A 77 5.011 -7.710 -5.112 1.00 34.22 H new ATOM 0 HB2 ASN A 77 5.428 -9.211 -7.731 1.00 50.12 H new ATOM 0 HB3 ASN A 77 6.438 -9.356 -6.306 1.00 50.12 H new ATOM 0 HD21 ASN A 77 2.939 -11.433 -6.618 1.00 21.14 H new ATOM 0 HD22 ASN A 77 3.440 -10.252 -7.833 1.00 21.14 H new ATOM 1076 N ASN A 78 5.555 -6.025 -7.824 1.00 3.44 N ATOM 1077 CA ASN A 78 6.422 -5.105 -8.577 1.00 52.30 C ATOM 1078 C ASN A 78 6.127 -3.627 -8.244 1.00 21.21 C ATOM 1079 O ASN A 78 6.795 -2.728 -8.750 1.00 54.10 O ATOM 1080 CB ASN A 78 6.231 -5.367 -10.085 1.00 55.11 C ATOM 1081 CG ASN A 78 7.180 -4.574 -10.967 1.00 60.45 C ATOM 1082 OD1 ASN A 78 8.283 -5.014 -11.266 1.00 54.34 O ATOM 1083 ND2 ASN A 78 6.752 -3.413 -11.413 1.00 4.22 N ATOM 0 H ASN A 78 4.598 -6.071 -8.174 1.00 3.44 H new ATOM 0 HA ASN A 78 7.457 -5.291 -8.291 1.00 52.30 H new ATOM 0 HB2 ASN A 78 6.370 -6.430 -10.281 1.00 55.11 H new ATOM 0 HB3 ASN A 78 5.205 -5.124 -10.360 1.00 55.11 H new ATOM 0 HD21 ASN A 78 7.344 -2.852 -12.026 1.00 4.22 H new ATOM 0 HD22 ASN A 78 5.828 -3.073 -11.146 1.00 4.22 H new ATOM 1090 N TRP A 79 5.164 -3.380 -7.358 1.00 41.15 N ATOM 1091 CA TRP A 79 4.687 -2.010 -7.102 1.00 54.31 C ATOM 1092 C TRP A 79 5.767 -1.140 -6.435 1.00 23.41 C ATOM 1093 O TRP A 79 6.160 -0.102 -6.970 1.00 11.40 O ATOM 1094 CB TRP A 79 3.410 -2.032 -6.247 1.00 53.41 C ATOM 1095 CG TRP A 79 2.184 -2.445 -7.010 1.00 54.35 C ATOM 1096 CD1 TRP A 79 2.109 -3.364 -8.018 1.00 10.34 C ATOM 1097 CD2 TRP A 79 0.851 -1.952 -6.823 1.00 44.54 C ATOM 1098 NE1 TRP A 79 0.819 -3.466 -8.470 1.00 60.34 N ATOM 1099 CE2 TRP A 79 0.028 -2.613 -7.750 1.00 43.50 C ATOM 1100 CE3 TRP A 79 0.277 -1.014 -5.957 1.00 22.13 C ATOM 1101 CZ2 TRP A 79 -1.338 -2.366 -7.844 1.00 71.13 C ATOM 1102 CZ3 TRP A 79 -1.081 -0.771 -6.046 1.00 65.45 C ATOM 1103 CH2 TRP A 79 -1.876 -1.447 -6.984 1.00 70.24 C ATOM 0 H TRP A 79 4.698 -4.100 -6.806 1.00 41.15 H new ATOM 0 HA TRP A 79 4.456 -1.561 -8.068 1.00 54.31 H new ATOM 0 HB2 TRP A 79 3.555 -2.715 -5.410 1.00 53.41 H new ATOM 0 HB3 TRP A 79 3.248 -1.040 -5.825 1.00 53.41 H new ATOM 0 HD1 TRP A 79 2.945 -3.929 -8.403 1.00 10.34 H new ATOM 0 HE1 TRP A 79 0.501 -4.078 -9.221 1.00 60.34 H new ATOM 0 HE3 TRP A 79 0.883 -0.490 -5.233 1.00 22.13 H new ATOM 0 HZ2 TRP A 79 -1.951 -2.880 -8.569 1.00 71.13 H new ATOM 0 HZ3 TRP A 79 -1.537 -0.050 -5.384 1.00 65.45 H new ATOM 0 HH2 TRP A 79 -2.935 -1.238 -7.028 1.00 70.24 H new ATOM 1114 N ALA A 80 6.248 -1.570 -5.270 1.00 73.44 N ATOM 1115 CA ALA A 80 7.291 -0.837 -4.540 1.00 22.22 C ATOM 1116 C ALA A 80 8.601 -0.759 -5.338 1.00 34.24 C ATOM 1117 O ALA A 80 9.250 0.289 -5.386 1.00 20.33 O ATOM 1118 CB ALA A 80 7.529 -1.488 -3.184 1.00 12.15 C ATOM 0 H ALA A 80 5.934 -2.423 -4.807 1.00 73.44 H new ATOM 0 HA ALA A 80 6.942 0.185 -4.393 1.00 22.22 H new ATOM 0 HB1 ALA A 80 8.304 -0.939 -2.648 1.00 12.15 H new ATOM 0 HB2 ALA A 80 6.606 -1.471 -2.605 1.00 12.15 H new ATOM 0 HB3 ALA A 80 7.848 -2.520 -3.327 1.00 12.15 H new ATOM 1124 N SER A 81 8.975 -1.869 -5.971 1.00 51.05 N ATOM 1125 CA SER A 81 10.194 -1.924 -6.794 1.00 50.50 C ATOM 1126 C SER A 81 10.147 -0.890 -7.929 1.00 31.11 C ATOM 1127 O SER A 81 11.071 -0.088 -8.096 1.00 11.02 O ATOM 1128 CB SER A 81 10.382 -3.329 -7.379 1.00 34.10 C ATOM 1129 OG SER A 81 11.567 -3.419 -8.152 1.00 24.12 O ATOM 0 H SER A 81 8.455 -2.746 -5.933 1.00 51.05 H new ATOM 0 HA SER A 81 11.040 -1.688 -6.149 1.00 50.50 H new ATOM 0 HB2 SER A 81 10.419 -4.059 -6.570 1.00 34.10 H new ATOM 0 HB3 SER A 81 9.522 -3.583 -7.999 1.00 34.10 H new ATOM 0 HG SER A 81 11.657 -4.327 -8.508 1.00 24.12 H new ATOM 1135 N ALA A 82 9.054 -0.895 -8.691 1.00 55.24 N ATOM 1136 CA ALA A 82 8.872 0.063 -9.784 1.00 53.34 C ATOM 1137 C ALA A 82 8.736 1.500 -9.255 1.00 61.03 C ATOM 1138 O ALA A 82 9.221 2.446 -9.873 1.00 14.24 O ATOM 1139 CB ALA A 82 7.659 -0.318 -10.619 1.00 34.51 C ATOM 0 H ALA A 82 8.281 -1.550 -8.573 1.00 55.24 H new ATOM 0 HA ALA A 82 9.760 0.028 -10.415 1.00 53.34 H new ATOM 0 HB1 ALA A 82 7.534 0.401 -11.428 1.00 34.51 H new ATOM 0 HB2 ALA A 82 7.804 -1.314 -11.038 1.00 34.51 H new ATOM 0 HB3 ALA A 82 6.769 -0.315 -9.990 1.00 34.51 H new ATOM 1145 N ALA A 83 8.078 1.652 -8.105 1.00 5.21 N ATOM 1146 CA ALA A 83 7.967 2.954 -7.432 1.00 21.22 C ATOM 1147 C ALA A 83 9.352 3.565 -7.168 1.00 44.53 C ATOM 1148 O ALA A 83 9.621 4.705 -7.555 1.00 55.51 O ATOM 1149 CB ALA A 83 7.191 2.797 -6.130 1.00 65.52 C ATOM 0 H ALA A 83 7.611 0.888 -7.616 1.00 5.21 H new ATOM 0 HA ALA A 83 7.427 3.637 -8.088 1.00 21.22 H new ATOM 0 HB1 ALA A 83 7.111 3.765 -5.635 1.00 65.52 H new ATOM 0 HB2 ALA A 83 6.193 2.416 -6.345 1.00 65.52 H new ATOM 0 HB3 ALA A 83 7.713 2.097 -5.477 1.00 65.52 H new ATOM 1155 N SER A 84 10.229 2.794 -6.526 1.00 33.21 N ATOM 1156 CA SER A 84 11.608 3.234 -6.255 1.00 61.04 C ATOM 1157 C SER A 84 12.390 3.477 -7.555 1.00 2.15 C ATOM 1158 O SER A 84 13.260 4.345 -7.614 1.00 61.14 O ATOM 1159 CB SER A 84 12.353 2.200 -5.398 1.00 65.11 C ATOM 1160 OG SER A 84 11.733 2.027 -4.134 1.00 41.10 O ATOM 0 H SER A 84 10.014 1.859 -6.181 1.00 33.21 H new ATOM 0 HA SER A 84 11.541 4.175 -5.709 1.00 61.04 H new ATOM 0 HB2 SER A 84 12.383 1.245 -5.923 1.00 65.11 H new ATOM 0 HB3 SER A 84 13.386 2.519 -5.257 1.00 65.11 H new ATOM 0 HG SER A 84 10.919 1.491 -4.239 1.00 41.10 H new ATOM 1166 N SER A 85 12.076 2.703 -8.594 1.00 44.23 N ATOM 1167 CA SER A 85 12.744 2.838 -9.902 1.00 74.51 C ATOM 1168 C SER A 85 12.235 4.057 -10.689 1.00 15.35 C ATOM 1169 O SER A 85 12.989 4.686 -11.436 1.00 71.02 O ATOM 1170 CB SER A 85 12.535 1.566 -10.738 1.00 60.13 C ATOM 1171 OG SER A 85 13.100 1.696 -12.036 1.00 51.04 O ATOM 0 H SER A 85 11.364 1.974 -8.562 1.00 44.23 H new ATOM 0 HA SER A 85 13.806 2.984 -9.707 1.00 74.51 H new ATOM 0 HB2 SER A 85 12.987 0.716 -10.227 1.00 60.13 H new ATOM 0 HB3 SER A 85 11.469 1.357 -10.824 1.00 60.13 H new ATOM 0 HG SER A 85 12.951 0.870 -12.542 1.00 51.04 H new ATOM 1177 N ALA A 86 10.957 4.382 -10.519 1.00 22.34 N ATOM 1178 CA ALA A 86 10.328 5.492 -11.249 1.00 22.02 C ATOM 1179 C ALA A 86 10.638 6.855 -10.609 1.00 72.13 C ATOM 1180 O ALA A 86 11.070 7.788 -11.290 1.00 3.13 O ATOM 1181 CB ALA A 86 8.819 5.277 -11.325 1.00 62.23 C ATOM 0 H ALA A 86 10.329 3.894 -9.880 1.00 22.34 H new ATOM 0 HA ALA A 86 10.747 5.503 -12.255 1.00 22.02 H new ATOM 0 HB1 ALA A 86 8.361 6.104 -11.867 1.00 62.23 H new ATOM 0 HB2 ALA A 86 8.610 4.342 -11.845 1.00 62.23 H new ATOM 0 HB3 ALA A 86 8.407 5.231 -10.317 1.00 62.23 H new ATOM 1187 N GLY A 87 10.404 6.969 -9.303 1.00 2.25 N ATOM 1188 CA GLY A 87 10.654 8.233 -8.602 1.00 63.11 C ATOM 1189 C GLY A 87 9.705 8.487 -7.428 1.00 41.51 C ATOM 1190 O GLY A 87 9.477 9.636 -7.047 1.00 44.53 O ATOM 0 H GLY A 87 10.047 6.216 -8.714 1.00 2.25 H new ATOM 0 HA2 GLY A 87 11.680 8.237 -8.235 1.00 63.11 H new ATOM 0 HA3 GLY A 87 10.566 9.055 -9.312 1.00 63.11 H new ATOM 1194 N TYR A 88 9.152 7.416 -6.861 1.00 54.30 N ATOM 1195 CA TYR A 88 8.264 7.517 -5.695 1.00 31.21 C ATOM 1196 C TYR A 88 9.054 7.411 -4.381 1.00 23.11 C ATOM 1197 O TYR A 88 10.271 7.209 -4.381 1.00 0.13 O ATOM 1198 CB TYR A 88 7.193 6.414 -5.737 1.00 35.41 C ATOM 1199 CG TYR A 88 6.131 6.600 -6.809 1.00 75.43 C ATOM 1200 CD1 TYR A 88 6.435 6.445 -8.159 1.00 21.34 C ATOM 1201 CD2 TYR A 88 4.819 6.917 -6.467 1.00 21.24 C ATOM 1202 CE1 TYR A 88 5.463 6.602 -9.134 1.00 72.32 C ATOM 1203 CE2 TYR A 88 3.845 7.070 -7.436 1.00 12.24 C ATOM 1204 CZ TYR A 88 4.172 6.912 -8.765 1.00 64.00 C ATOM 1205 OH TYR A 88 3.198 7.059 -9.729 1.00 1.14 O ATOM 0 H TYR A 88 9.302 6.462 -7.189 1.00 54.30 H new ATOM 0 HA TYR A 88 7.782 8.494 -5.734 1.00 31.21 H new ATOM 0 HB2 TYR A 88 7.685 5.454 -5.895 1.00 35.41 H new ATOM 0 HB3 TYR A 88 6.703 6.365 -4.764 1.00 35.41 H new ATOM 0 HD1 TYR A 88 7.445 6.198 -8.451 1.00 21.34 H new ATOM 0 HD2 TYR A 88 4.558 7.046 -5.427 1.00 21.24 H new ATOM 0 HE1 TYR A 88 5.716 6.482 -10.177 1.00 72.32 H new ATOM 0 HE2 TYR A 88 2.832 7.312 -7.152 1.00 12.24 H new ATOM 0 HH TYR A 88 2.493 7.652 -9.394 1.00 1.14 H new ATOM 1215 N THR A 89 8.345 7.515 -3.265 1.00 61.52 N ATOM 1216 CA THR A 89 8.970 7.480 -1.934 1.00 24.01 C ATOM 1217 C THR A 89 8.634 6.173 -1.201 1.00 3.23 C ATOM 1218 O THR A 89 7.628 6.079 -0.498 1.00 42.50 O ATOM 1219 CB THR A 89 8.521 8.691 -1.071 1.00 70.21 C ATOM 1220 OG1 THR A 89 8.835 9.924 -1.737 1.00 31.30 O ATOM 1221 CG2 THR A 89 9.181 8.683 0.304 1.00 34.23 C ATOM 0 H THR A 89 7.331 7.625 -3.247 1.00 61.52 H new ATOM 0 HA THR A 89 10.049 7.535 -2.082 1.00 24.01 H new ATOM 0 HB THR A 89 7.443 8.606 -0.936 1.00 70.21 H new ATOM 0 HG1 THR A 89 8.545 10.678 -1.183 1.00 31.30 H new ATOM 0 HG21 THR A 89 8.841 9.546 0.876 1.00 34.23 H new ATOM 0 HG22 THR A 89 8.911 7.768 0.832 1.00 34.23 H new ATOM 0 HG23 THR A 89 10.264 8.729 0.188 1.00 34.23 H new ATOM 1229 N VAL A 90 9.466 5.154 -1.391 1.00 53.10 N ATOM 1230 CA VAL A 90 9.233 3.835 -0.786 1.00 12.33 C ATOM 1231 C VAL A 90 10.120 3.613 0.448 1.00 42.31 C ATOM 1232 O VAL A 90 11.341 3.476 0.335 1.00 2.22 O ATOM 1233 CB VAL A 90 9.488 2.698 -1.807 1.00 63.32 C ATOM 1234 CG1 VAL A 90 9.205 1.327 -1.188 1.00 4.43 C ATOM 1235 CG2 VAL A 90 8.647 2.912 -3.065 1.00 43.23 C ATOM 0 H VAL A 90 10.311 5.211 -1.959 1.00 53.10 H new ATOM 0 HA VAL A 90 8.188 3.813 -0.476 1.00 12.33 H new ATOM 0 HB VAL A 90 10.541 2.723 -2.088 1.00 63.32 H new ATOM 0 HG11 VAL A 90 9.392 0.548 -1.927 1.00 4.43 H new ATOM 0 HG12 VAL A 90 9.857 1.175 -0.328 1.00 4.43 H new ATOM 0 HG13 VAL A 90 8.164 1.280 -0.868 1.00 4.43 H new ATOM 0 HG21 VAL A 90 8.838 2.105 -3.772 1.00 43.23 H new ATOM 0 HG22 VAL A 90 7.590 2.919 -2.799 1.00 43.23 H new ATOM 0 HG23 VAL A 90 8.912 3.865 -3.522 1.00 43.23 H new ATOM 1245 N ASN A 91 9.497 3.568 1.623 1.00 65.55 N ATOM 1246 CA ASN A 91 10.225 3.402 2.888 1.00 13.31 C ATOM 1247 C ASN A 91 9.523 2.374 3.789 1.00 73.22 C ATOM 1248 O ASN A 91 8.459 1.856 3.450 1.00 24.24 O ATOM 1249 CB ASN A 91 10.316 4.745 3.630 1.00 40.35 C ATOM 1250 CG ASN A 91 10.713 5.892 2.721 1.00 71.25 C ATOM 1251 OD1 ASN A 91 9.864 6.537 2.131 1.00 30.34 O ATOM 1252 ND2 ASN A 91 11.997 6.163 2.605 1.00 25.44 N ATOM 0 H ASN A 91 8.486 3.644 1.730 1.00 65.55 H new ATOM 0 HA ASN A 91 11.228 3.045 2.655 1.00 13.31 H new ATOM 0 HB2 ASN A 91 9.353 4.968 4.089 1.00 40.35 H new ATOM 0 HB3 ASN A 91 11.042 4.660 4.439 1.00 40.35 H new ATOM 0 HD21 ASN A 91 12.304 6.931 2.008 1.00 25.44 H new ATOM 0 HD22 ASN A 91 12.684 5.605 3.112 1.00 25.44 H new ATOM 1259 N ASN A 92 10.119 2.090 4.944 1.00 44.13 N ATOM 1260 CA ASN A 92 9.493 1.209 5.937 1.00 71.21 C ATOM 1261 C ASN A 92 8.618 2.017 6.910 1.00 30.41 C ATOM 1262 O ASN A 92 8.013 1.463 7.825 1.00 74.23 O ATOM 1263 CB ASN A 92 10.568 0.430 6.701 1.00 33.15 C ATOM 1264 CG ASN A 92 11.453 -0.375 5.767 1.00 22.51 C ATOM 1265 OD1 ASN A 92 12.458 0.119 5.266 1.00 41.32 O ATOM 1266 ND2 ASN A 92 11.090 -1.616 5.519 1.00 21.22 N ATOM 0 H ASN A 92 11.032 2.454 5.219 1.00 44.13 H new ATOM 0 HA ASN A 92 8.850 0.500 5.415 1.00 71.21 H new ATOM 0 HB2 ASN A 92 11.182 1.125 7.274 1.00 33.15 H new ATOM 0 HB3 ASN A 92 10.092 -0.240 7.417 1.00 33.15 H new ATOM 0 HD21 ASN A 92 11.650 -2.196 4.894 1.00 21.22 H new ATOM 0 HD22 ASN A 92 10.249 -1.997 5.951 1.00 21.22 H new ATOM 1273 N SER A 93 8.571 3.339 6.704 1.00 41.14 N ATOM 1274 CA SER A 93 7.722 4.232 7.503 1.00 71.30 C ATOM 1275 C SER A 93 6.233 3.969 7.219 1.00 11.43 C ATOM 1276 O SER A 93 5.753 4.220 6.111 1.00 13.52 O ATOM 1277 CB SER A 93 8.059 5.699 7.198 1.00 4.43 C ATOM 1278 OG SER A 93 9.437 5.975 7.430 1.00 12.34 O ATOM 0 H SER A 93 9.115 3.817 5.986 1.00 41.14 H new ATOM 0 HA SER A 93 7.916 4.032 8.557 1.00 71.30 H new ATOM 0 HB2 SER A 93 7.811 5.923 6.160 1.00 4.43 H new ATOM 0 HB3 SER A 93 7.446 6.352 7.820 1.00 4.43 H new ATOM 0 HG SER A 93 9.621 6.916 7.226 1.00 12.34 H new ATOM 1284 N PRO A 94 5.485 3.476 8.223 1.00 33.11 N ATOM 1285 CA PRO A 94 4.097 3.017 8.041 1.00 1.13 C ATOM 1286 C PRO A 94 3.029 4.121 8.146 1.00 35.53 C ATOM 1287 O PRO A 94 1.839 3.819 8.234 1.00 64.23 O ATOM 1288 CB PRO A 94 3.941 2.029 9.198 1.00 10.00 C ATOM 1289 CG PRO A 94 4.762 2.621 10.296 1.00 15.13 C ATOM 1290 CD PRO A 94 5.934 3.301 9.623 1.00 2.50 C ATOM 0 HA PRO A 94 3.942 2.613 7.040 1.00 1.13 H new ATOM 0 HB2 PRO A 94 2.897 1.923 9.494 1.00 10.00 H new ATOM 0 HB3 PRO A 94 4.297 1.036 8.925 1.00 10.00 H new ATOM 0 HG2 PRO A 94 4.179 3.335 10.878 1.00 15.13 H new ATOM 0 HG3 PRO A 94 5.103 1.850 10.987 1.00 15.13 H new ATOM 0 HD2 PRO A 94 6.164 4.258 10.092 1.00 2.50 H new ATOM 0 HD3 PRO A 94 6.836 2.692 9.681 1.00 2.50 H new ATOM 1298 N GLU A 95 3.441 5.390 8.134 1.00 33.21 N ATOM 1299 CA GLU A 95 2.493 6.507 8.293 1.00 71.45 C ATOM 1300 C GLU A 95 1.389 6.483 7.219 1.00 10.10 C ATOM 1301 O GLU A 95 1.626 6.104 6.067 1.00 54.54 O ATOM 1302 CB GLU A 95 3.220 7.861 8.272 1.00 73.31 C ATOM 1303 CG GLU A 95 2.277 9.052 8.449 1.00 65.32 C ATOM 1304 CD GLU A 95 2.999 10.372 8.674 1.00 41.53 C ATOM 1305 OE1 GLU A 95 3.317 10.683 9.844 1.00 1.24 O ATOM 1306 OE2 GLU A 95 3.236 11.107 7.693 1.00 45.21 O ATOM 0 H GLU A 95 4.414 5.674 8.017 1.00 33.21 H new ATOM 0 HA GLU A 95 2.018 6.379 9.266 1.00 71.45 H new ATOM 0 HB2 GLU A 95 3.968 7.877 9.064 1.00 73.31 H new ATOM 0 HB3 GLU A 95 3.754 7.965 7.327 1.00 73.31 H new ATOM 0 HG2 GLU A 95 1.645 9.139 7.565 1.00 65.32 H new ATOM 0 HG3 GLU A 95 1.617 8.860 9.295 1.00 65.32 H new ATOM 1313 N ALA A 96 0.183 6.901 7.617 1.00 44.03 N ATOM 1314 CA ALA A 96 -0.985 6.914 6.727 1.00 32.33 C ATOM 1315 C ALA A 96 -0.727 7.685 5.423 1.00 73.11 C ATOM 1316 O ALA A 96 0.143 8.561 5.354 1.00 45.23 O ATOM 1317 CB ALA A 96 -2.188 7.496 7.457 1.00 12.25 C ATOM 0 H ALA A 96 -0.012 7.238 8.560 1.00 44.03 H new ATOM 0 HA ALA A 96 -1.190 5.881 6.447 1.00 32.33 H new ATOM 0 HB1 ALA A 96 -3.050 7.502 6.790 1.00 12.25 H new ATOM 0 HB2 ALA A 96 -2.411 6.887 8.333 1.00 12.25 H new ATOM 0 HB3 ALA A 96 -1.965 8.516 7.771 1.00 12.25 H new ATOM 1323 N GLY A 97 -1.511 7.372 4.395 1.00 32.40 N ATOM 1324 CA GLY A 97 -1.281 7.945 3.075 1.00 34.30 C ATOM 1325 C GLY A 97 -0.230 7.173 2.288 1.00 72.20 C ATOM 1326 O GLY A 97 0.594 7.760 1.582 1.00 51.35 O ATOM 0 H GLY A 97 -2.303 6.731 4.450 1.00 32.40 H new ATOM 0 HA2 GLY A 97 -2.217 7.954 2.516 1.00 34.30 H new ATOM 0 HA3 GLY A 97 -0.964 8.982 3.181 1.00 34.30 H new ATOM 1330 N SER A 98 -0.256 5.849 2.418 1.00 51.13 N ATOM 1331 CA SER A 98 0.728 4.984 1.751 1.00 42.14 C ATOM 1332 C SER A 98 0.161 3.588 1.471 1.00 11.25 C ATOM 1333 O SER A 98 -0.945 3.249 1.901 1.00 2.40 O ATOM 1334 CB SER A 98 1.997 4.861 2.608 1.00 15.20 C ATOM 1335 OG SER A 98 1.727 4.223 3.844 1.00 14.25 O ATOM 0 H SER A 98 -0.945 5.347 2.978 1.00 51.13 H new ATOM 0 HA SER A 98 0.974 5.448 0.796 1.00 42.14 H new ATOM 0 HB2 SER A 98 2.753 4.296 2.063 1.00 15.20 H new ATOM 0 HB3 SER A 98 2.411 5.852 2.792 1.00 15.20 H new ATOM 0 HG SER A 98 1.704 4.892 4.559 1.00 14.25 H new ATOM 1341 N ILE A 99 0.936 2.787 0.744 1.00 14.51 N ATOM 1342 CA ILE A 99 0.526 1.436 0.343 1.00 40.35 C ATOM 1343 C ILE A 99 1.590 0.403 0.741 1.00 71.44 C ATOM 1344 O ILE A 99 2.749 0.537 0.360 1.00 54.14 O ATOM 1345 CB ILE A 99 0.325 1.376 -1.193 1.00 0.04 C ATOM 1346 CG1 ILE A 99 -0.627 2.492 -1.655 1.00 2.34 C ATOM 1347 CG2 ILE A 99 -0.200 0.007 -1.611 1.00 24.33 C ATOM 1348 CD1 ILE A 99 -0.662 2.687 -3.157 1.00 24.20 C ATOM 0 H ILE A 99 1.864 3.052 0.415 1.00 14.51 H new ATOM 0 HA ILE A 99 -0.410 1.204 0.852 1.00 40.35 H new ATOM 0 HB ILE A 99 1.290 1.531 -1.675 1.00 0.04 H new ATOM 0 HG12 ILE A 99 -1.634 2.265 -1.304 1.00 2.34 H new ATOM 0 HG13 ILE A 99 -0.329 3.429 -1.184 1.00 2.34 H new ATOM 0 HG21 ILE A 99 -0.335 -0.016 -2.692 1.00 24.33 H new ATOM 0 HG22 ILE A 99 0.515 -0.762 -1.318 1.00 24.33 H new ATOM 0 HG23 ILE A 99 -1.156 -0.181 -1.122 1.00 24.33 H new ATOM 0 HD11 ILE A 99 -1.356 3.491 -3.403 1.00 24.20 H new ATOM 0 HD12 ILE A 99 0.335 2.946 -3.514 1.00 24.20 H new ATOM 0 HD13 ILE A 99 -0.990 1.765 -3.636 1.00 24.20 H new ATOM 1360 N LEU A 100 1.212 -0.625 1.502 1.00 24.52 N ATOM 1361 CA LEU A 100 2.182 -1.655 1.911 1.00 2.20 C ATOM 1362 C LEU A 100 2.208 -2.824 0.912 1.00 52.02 C ATOM 1363 O LEU A 100 1.162 -3.270 0.436 1.00 31.52 O ATOM 1364 CB LEU A 100 1.889 -2.166 3.341 1.00 44.44 C ATOM 1365 CG LEU A 100 0.779 -3.229 3.501 1.00 32.50 C ATOM 1366 CD1 LEU A 100 0.651 -3.654 4.962 1.00 43.12 C ATOM 1367 CD2 LEU A 100 -0.564 -2.728 2.979 1.00 23.32 C ATOM 0 H LEU A 100 0.262 -0.770 1.845 1.00 24.52 H new ATOM 0 HA LEU A 100 3.168 -1.191 1.914 1.00 2.20 H new ATOM 0 HB2 LEU A 100 2.812 -2.579 3.747 1.00 44.44 H new ATOM 0 HB3 LEU A 100 1.625 -1.307 3.958 1.00 44.44 H new ATOM 0 HG LEU A 100 1.067 -4.093 2.902 1.00 32.50 H new ATOM 0 HD11 LEU A 100 -0.135 -4.403 5.056 1.00 43.12 H new ATOM 0 HD12 LEU A 100 1.597 -4.076 5.302 1.00 43.12 H new ATOM 0 HD13 LEU A 100 0.400 -2.787 5.573 1.00 43.12 H new ATOM 0 HD21 LEU A 100 -1.318 -3.505 3.110 1.00 23.32 H new ATOM 0 HD22 LEU A 100 -0.861 -1.838 3.533 1.00 23.32 H new ATOM 0 HD23 LEU A 100 -0.475 -2.483 1.921 1.00 23.32 H new ATOM 1379 N GLN A 101 3.405 -3.305 0.581 1.00 73.30 N ATOM 1380 CA GLN A 101 3.552 -4.436 -0.342 1.00 1.42 C ATOM 1381 C GLN A 101 3.956 -5.722 0.402 1.00 74.14 C ATOM 1382 O GLN A 101 4.911 -5.734 1.180 1.00 60.42 O ATOM 1383 CB GLN A 101 4.582 -4.110 -1.435 1.00 51.35 C ATOM 1384 CG GLN A 101 4.617 -5.148 -2.554 1.00 30.43 C ATOM 1385 CD GLN A 101 5.518 -4.751 -3.713 1.00 3.52 C ATOM 1386 OE1 GLN A 101 5.086 -4.123 -4.670 1.00 51.42 O ATOM 1387 NE2 GLN A 101 6.776 -5.119 -3.641 1.00 2.44 N ATOM 0 H GLN A 101 4.286 -2.933 0.935 1.00 73.30 H new ATOM 0 HA GLN A 101 2.582 -4.608 -0.809 1.00 1.42 H new ATOM 0 HB2 GLN A 101 4.354 -3.133 -1.861 1.00 51.35 H new ATOM 0 HB3 GLN A 101 5.571 -4.038 -0.983 1.00 51.35 H new ATOM 0 HG2 GLN A 101 4.958 -6.100 -2.147 1.00 30.43 H new ATOM 0 HG3 GLN A 101 3.605 -5.305 -2.927 1.00 30.43 H new ATOM 0 HE21 GLN A 101 7.109 -5.642 -2.831 1.00 2.44 H new ATOM 0 HE22 GLN A 101 7.421 -4.882 -4.395 1.00 2.44 H new ATOM 1396 N SER A 102 3.215 -6.802 0.157 1.00 43.32 N ATOM 1397 CA SER A 102 3.466 -8.092 0.822 1.00 15.41 C ATOM 1398 C SER A 102 4.623 -8.881 0.185 1.00 73.13 C ATOM 1399 O SER A 102 5.586 -9.224 0.868 1.00 73.40 O ATOM 1400 CB SER A 102 2.194 -8.949 0.820 1.00 24.11 C ATOM 1401 OG SER A 102 2.476 -10.298 1.162 1.00 61.43 O ATOM 0 H SER A 102 2.433 -6.815 -0.498 1.00 43.32 H new ATOM 0 HA SER A 102 3.759 -7.861 1.846 1.00 15.41 H new ATOM 0 HB2 SER A 102 1.474 -8.536 1.527 1.00 24.11 H new ATOM 0 HB3 SER A 102 1.730 -8.912 -0.166 1.00 24.11 H new ATOM 0 HG SER A 102 1.645 -10.818 1.154 1.00 61.43 H new ATOM 1466 N GLY A 108 1.590 -11.393 -4.723 1.00 13.20 N ATOM 1467 CA GLY A 108 1.707 -10.047 -4.192 1.00 3.43 C ATOM 1468 C GLY A 108 0.470 -9.628 -3.414 1.00 72.01 C ATOM 1469 O GLY A 108 -0.503 -10.378 -3.329 1.00 2.15 O ATOM 0 HA2 GLY A 108 2.580 -9.989 -3.542 1.00 3.43 H new ATOM 0 HA3 GLY A 108 1.873 -9.348 -5.012 1.00 3.43 H new ATOM 1473 N HIS A 109 0.508 -8.434 -2.842 1.00 24.22 N ATOM 1474 CA HIS A 109 -0.631 -7.892 -2.096 1.00 72.11 C ATOM 1475 C HIS A 109 -0.355 -6.455 -1.653 1.00 21.24 C ATOM 1476 O HIS A 109 0.753 -6.131 -1.217 1.00 35.43 O ATOM 1477 CB HIS A 109 -0.960 -8.761 -0.878 1.00 1.40 C ATOM 1478 CG HIS A 109 -2.083 -8.215 -0.056 1.00 41.33 C ATOM 1479 ND1 HIS A 109 -3.213 -7.708 -0.646 1.00 51.24 N ATOM 1480 CD2 HIS A 109 -2.190 -8.093 1.286 1.00 42.24 C ATOM 1481 CE1 HIS A 109 -3.977 -7.292 0.346 1.00 43.32 C ATOM 1482 NE2 HIS A 109 -3.401 -7.505 1.536 1.00 72.21 N ATOM 0 H HIS A 109 1.318 -7.815 -2.877 1.00 24.22 H new ATOM 0 HA HIS A 109 -1.493 -7.895 -2.764 1.00 72.11 H new ATOM 0 HB2 HIS A 109 -1.218 -9.765 -1.214 1.00 1.40 H new ATOM 0 HB3 HIS A 109 -0.071 -8.853 -0.254 1.00 1.40 H new ATOM 0 HD2 HIS A 109 -1.460 -8.400 2.020 1.00 42.24 H new ATOM 0 HE1 HIS A 109 -4.947 -6.836 0.215 1.00 43.32 H new ATOM 0 HE2 HIS A 109 -3.789 -7.274 2.451 1.00 72.21 H new ATOM 1490 N VAL A 110 -1.370 -5.605 -1.775 1.00 31.43 N ATOM 1491 CA VAL A 110 -1.259 -4.187 -1.425 1.00 53.24 C ATOM 1492 C VAL A 110 -2.560 -3.667 -0.797 1.00 33.43 C ATOM 1493 O VAL A 110 -3.658 -4.105 -1.148 1.00 73.42 O ATOM 1494 CB VAL A 110 -0.909 -3.315 -2.662 1.00 51.41 C ATOM 1495 CG1 VAL A 110 0.518 -3.582 -3.146 1.00 50.00 C ATOM 1496 CG2 VAL A 110 -1.918 -3.547 -3.787 1.00 73.51 C ATOM 0 H VAL A 110 -2.292 -5.876 -2.118 1.00 31.43 H new ATOM 0 HA VAL A 110 -0.450 -4.108 -0.699 1.00 53.24 H new ATOM 0 HB VAL A 110 -0.965 -2.269 -2.361 1.00 51.41 H new ATOM 0 HG11 VAL A 110 0.731 -2.956 -4.013 1.00 50.00 H new ATOM 0 HG12 VAL A 110 1.223 -3.349 -2.348 1.00 50.00 H new ATOM 0 HG13 VAL A 110 0.618 -4.631 -3.423 1.00 50.00 H new ATOM 0 HG21 VAL A 110 -1.656 -2.927 -4.644 1.00 73.51 H new ATOM 0 HG22 VAL A 110 -1.902 -4.597 -4.079 1.00 73.51 H new ATOM 0 HG23 VAL A 110 -2.917 -3.282 -3.440 1.00 73.51 H new ATOM 1506 N ALA A 111 -2.423 -2.729 0.135 1.00 55.34 N ATOM 1507 CA ALA A 111 -3.576 -2.104 0.795 1.00 52.51 C ATOM 1508 C ALA A 111 -3.247 -0.669 1.229 1.00 11.44 C ATOM 1509 O ALA A 111 -2.093 -0.349 1.525 1.00 3.02 O ATOM 1510 CB ALA A 111 -4.026 -2.943 1.989 1.00 54.31 C ATOM 0 H ALA A 111 -1.520 -2.379 0.456 1.00 55.34 H new ATOM 0 HA ALA A 111 -4.397 -2.057 0.079 1.00 52.51 H new ATOM 0 HB1 ALA A 111 -4.881 -2.466 2.467 1.00 54.31 H new ATOM 0 HB2 ALA A 111 -4.310 -3.939 1.648 1.00 54.31 H new ATOM 0 HB3 ALA A 111 -3.209 -3.024 2.705 1.00 54.31 H new ATOM 1516 N TYR A 112 -4.260 0.197 1.255 1.00 73.12 N ATOM 1517 CA TYR A 112 -4.059 1.611 1.602 1.00 54.31 C ATOM 1518 C TYR A 112 -4.143 1.833 3.123 1.00 60.12 C ATOM 1519 O TYR A 112 -5.123 1.451 3.767 1.00 2.35 O ATOM 1520 CB TYR A 112 -5.089 2.493 0.876 1.00 52.43 C ATOM 1521 CG TYR A 112 -4.855 3.988 1.041 1.00 43.33 C ATOM 1522 CD1 TYR A 112 -3.910 4.652 0.265 1.00 11.31 C ATOM 1523 CD2 TYR A 112 -5.578 4.730 1.970 1.00 63.20 C ATOM 1524 CE1 TYR A 112 -3.694 6.012 0.410 1.00 41.53 C ATOM 1525 CE2 TYR A 112 -5.367 6.088 2.120 1.00 51.34 C ATOM 1526 CZ TYR A 112 -4.426 6.725 1.340 1.00 10.51 C ATOM 1527 OH TYR A 112 -4.214 8.079 1.491 1.00 31.11 O ATOM 0 H TYR A 112 -5.226 -0.051 1.041 1.00 73.12 H new ATOM 0 HA TYR A 112 -3.058 1.895 1.277 1.00 54.31 H new ATOM 0 HB2 TYR A 112 -5.075 2.249 -0.186 1.00 52.43 H new ATOM 0 HB3 TYR A 112 -6.085 2.249 1.246 1.00 52.43 H new ATOM 0 HD1 TYR A 112 -3.336 4.098 -0.462 1.00 11.31 H new ATOM 0 HD2 TYR A 112 -6.317 4.237 2.584 1.00 63.20 H new ATOM 0 HE1 TYR A 112 -2.957 6.513 -0.201 1.00 41.53 H new ATOM 0 HE2 TYR A 112 -5.938 6.648 2.846 1.00 51.34 H new ATOM 0 HH TYR A 112 -4.811 8.428 2.185 1.00 31.11 H new ATOM 1537 N VAL A 113 -3.111 2.456 3.687 1.00 24.23 N ATOM 1538 CA VAL A 113 -3.047 2.702 5.133 1.00 74.30 C ATOM 1539 C VAL A 113 -4.066 3.769 5.585 1.00 12.41 C ATOM 1540 O VAL A 113 -3.931 4.950 5.257 1.00 74.41 O ATOM 1541 CB VAL A 113 -1.623 3.139 5.564 1.00 30.33 C ATOM 1542 CG1 VAL A 113 -1.548 3.344 7.078 1.00 14.23 C ATOM 1543 CG2 VAL A 113 -0.586 2.117 5.102 1.00 10.31 C ATOM 0 H VAL A 113 -2.304 2.802 3.167 1.00 24.23 H new ATOM 0 HA VAL A 113 -3.298 1.759 5.618 1.00 74.30 H new ATOM 0 HB VAL A 113 -1.401 4.093 5.086 1.00 30.33 H new ATOM 0 HG11 VAL A 113 -0.539 3.650 7.354 1.00 14.23 H new ATOM 0 HG12 VAL A 113 -2.256 4.117 7.376 1.00 14.23 H new ATOM 0 HG13 VAL A 113 -1.795 2.411 7.584 1.00 14.23 H new ATOM 0 HG21 VAL A 113 0.407 2.440 5.413 1.00 10.31 H new ATOM 0 HG22 VAL A 113 -0.808 1.147 5.547 1.00 10.31 H new ATOM 0 HG23 VAL A 113 -0.616 2.033 4.016 1.00 10.31 H new ATOM 1553 N GLU A 114 -5.076 3.339 6.345 1.00 52.23 N ATOM 1554 CA GLU A 114 -6.114 4.244 6.864 1.00 75.33 C ATOM 1555 C GLU A 114 -5.598 5.080 8.046 1.00 51.04 C ATOM 1556 O GLU A 114 -5.834 6.289 8.119 1.00 74.53 O ATOM 1557 CB GLU A 114 -7.344 3.438 7.315 1.00 11.44 C ATOM 1558 CG GLU A 114 -7.979 2.591 6.215 1.00 61.10 C ATOM 1559 CD GLU A 114 -8.571 3.421 5.086 1.00 10.33 C ATOM 1560 OE1 GLU A 114 -9.720 3.893 5.219 1.00 31.53 O ATOM 1561 OE2 GLU A 114 -7.899 3.590 4.045 1.00 71.04 O ATOM 0 H GLU A 114 -5.200 2.364 6.618 1.00 52.23 H new ATOM 0 HA GLU A 114 -6.389 4.922 6.056 1.00 75.33 H new ATOM 0 HB2 GLU A 114 -7.054 2.785 8.138 1.00 11.44 H new ATOM 0 HB3 GLU A 114 -8.093 4.128 7.704 1.00 11.44 H new ATOM 0 HG2 GLU A 114 -7.227 1.916 5.806 1.00 61.10 H new ATOM 0 HG3 GLU A 114 -8.762 1.970 6.650 1.00 61.10 H new ATOM 1568 N ASN A 115 -4.901 4.427 8.975 1.00 60.12 N ATOM 1569 CA ASN A 115 -4.414 5.095 10.187 1.00 0.32 C ATOM 1570 C ASN A 115 -3.284 4.302 10.866 1.00 71.33 C ATOM 1571 O ASN A 115 -3.073 3.124 10.578 1.00 62.40 O ATOM 1572 CB ASN A 115 -5.573 5.286 11.179 1.00 41.31 C ATOM 1573 CG ASN A 115 -5.156 6.047 12.426 1.00 22.03 C ATOM 1574 OD1 ASN A 115 -4.549 7.111 12.347 1.00 64.34 O ATOM 1575 ND2 ASN A 115 -5.424 5.484 13.581 1.00 54.01 N ATOM 0 H ASN A 115 -4.660 3.438 8.914 1.00 60.12 H new ATOM 0 HA ASN A 115 -4.012 6.063 9.889 1.00 0.32 H new ATOM 0 HB2 ASN A 115 -6.384 5.821 10.685 1.00 41.31 H new ATOM 0 HB3 ASN A 115 -5.964 4.310 11.467 1.00 41.31 H new ATOM 0 HD21 ASN A 115 -5.126 5.931 14.448 1.00 54.01 H new ATOM 0 HD22 ASN A 115 -5.930 4.599 13.612 1.00 54.01 H new ATOM 1582 N VAL A 116 -2.562 4.971 11.765 1.00 23.55 N ATOM 1583 CA VAL A 116 -1.509 4.337 12.567 1.00 24.44 C ATOM 1584 C VAL A 116 -1.694 4.676 14.053 1.00 61.13 C ATOM 1585 O VAL A 116 -1.468 5.815 14.472 1.00 61.22 O ATOM 1586 CB VAL A 116 -0.101 4.799 12.120 1.00 51.12 C ATOM 1587 CG1 VAL A 116 0.989 4.117 12.948 1.00 3.12 C ATOM 1588 CG2 VAL A 116 0.102 4.545 10.630 1.00 22.21 C ATOM 0 H VAL A 116 -2.688 5.964 11.959 1.00 23.55 H new ATOM 0 HA VAL A 116 -1.590 3.260 12.417 1.00 24.44 H new ATOM 0 HB VAL A 116 -0.026 5.873 12.293 1.00 51.12 H new ATOM 0 HG11 VAL A 116 1.968 4.459 12.613 1.00 3.12 H new ATOM 0 HG12 VAL A 116 0.857 4.368 14.000 1.00 3.12 H new ATOM 0 HG13 VAL A 116 0.920 3.037 12.821 1.00 3.12 H new ATOM 0 HG21 VAL A 116 1.098 4.877 10.337 1.00 22.21 H new ATOM 0 HG22 VAL A 116 -0.000 3.479 10.425 1.00 22.21 H new ATOM 0 HG23 VAL A 116 -0.646 5.097 10.062 1.00 22.21 H new ATOM 1598 N ASN A 117 -2.101 3.694 14.847 1.00 14.01 N ATOM 1599 CA ASN A 117 -2.370 3.919 16.271 1.00 21.45 C ATOM 1600 C ASN A 117 -1.075 4.034 17.089 1.00 52.43 C ATOM 1601 O ASN A 117 -0.019 3.554 16.678 1.00 12.11 O ATOM 1602 CB ASN A 117 -3.253 2.797 16.826 1.00 23.00 C ATOM 1603 CG ASN A 117 -4.661 2.853 16.262 1.00 63.22 C ATOM 1604 OD1 ASN A 117 -5.185 3.924 15.969 1.00 1.22 O ATOM 1605 ND2 ASN A 117 -5.285 1.707 16.101 1.00 41.42 N ATOM 0 H ASN A 117 -2.253 2.735 14.535 1.00 14.01 H new ATOM 0 HA ASN A 117 -2.897 4.869 16.360 1.00 21.45 H new ATOM 0 HB2 ASN A 117 -2.805 1.832 16.589 1.00 23.00 H new ATOM 0 HB3 ASN A 117 -3.294 2.871 17.913 1.00 23.00 H new ATOM 0 HD21 ASN A 117 -6.232 1.691 15.723 1.00 41.42 H new ATOM 0 HD22 ASN A 117 -4.822 0.834 16.354 1.00 41.42 H new ATOM 1612 N SER A 118 -1.170 4.680 18.250 1.00 70.21 N ATOM 1613 CA SER A 118 -0.011 4.894 19.134 1.00 24.15 C ATOM 1614 C SER A 118 0.608 3.573 19.621 1.00 21.12 C ATOM 1615 O SER A 118 1.705 3.560 20.172 1.00 33.03 O ATOM 1616 CB SER A 118 -0.409 5.759 20.340 1.00 51.30 C ATOM 1617 OG SER A 118 -0.895 7.026 19.921 1.00 70.44 O ATOM 0 H SER A 118 -2.042 5.069 18.608 1.00 70.21 H new ATOM 0 HA SER A 118 0.745 5.413 18.545 1.00 24.15 H new ATOM 0 HB2 SER A 118 -1.175 5.247 20.922 1.00 51.30 H new ATOM 0 HB3 SER A 118 0.452 5.894 20.995 1.00 51.30 H new ATOM 0 HG SER A 118 -1.143 7.557 20.706 1.00 70.44 H new ATOM 1623 N ASP A 119 -0.102 2.465 19.421 1.00 54.44 N ATOM 1624 CA ASP A 119 0.425 1.136 19.756 1.00 14.00 C ATOM 1625 C ASP A 119 1.439 0.644 18.706 1.00 41.41 C ATOM 1626 O ASP A 119 2.074 -0.400 18.879 1.00 60.00 O ATOM 1627 CB ASP A 119 -0.726 0.133 19.869 1.00 63.24 C ATOM 1628 CG ASP A 119 -1.780 0.584 20.856 1.00 35.23 C ATOM 1629 OD1 ASP A 119 -1.656 0.260 22.057 1.00 22.22 O ATOM 1630 OD2 ASP A 119 -2.732 1.275 20.440 1.00 14.35 O ATOM 0 H ASP A 119 -1.044 2.457 19.029 1.00 54.44 H new ATOM 0 HA ASP A 119 0.942 1.215 20.712 1.00 14.00 H new ATOM 0 HB2 ASP A 119 -1.183 -0.005 18.889 1.00 63.24 H new ATOM 0 HB3 ASP A 119 -0.333 -0.836 20.177 1.00 63.24 H new ATOM 1635 N GLY A 120 1.584 1.400 17.618 1.00 23.21 N ATOM 1636 CA GLY A 120 2.466 1.000 16.526 1.00 75.33 C ATOM 1637 C GLY A 120 1.737 0.204 15.448 1.00 21.35 C ATOM 1638 O GLY A 120 2.234 0.049 14.334 1.00 72.11 O ATOM 0 H GLY A 120 1.104 2.288 17.471 1.00 23.21 H new ATOM 0 HA2 GLY A 120 2.911 1.889 16.078 1.00 75.33 H new ATOM 0 HA3 GLY A 120 3.284 0.400 16.925 1.00 75.33 H new ATOM 1642 N SER A 121 0.551 -0.299 15.790 1.00 11.52 N ATOM 1643 CA SER A 121 -0.268 -1.092 14.865 1.00 62.22 C ATOM 1644 C SER A 121 -0.775 -0.252 13.682 1.00 13.35 C ATOM 1645 O SER A 121 -1.317 0.843 13.861 1.00 74.21 O ATOM 1646 CB SER A 121 -1.461 -1.708 15.607 1.00 40.50 C ATOM 1647 OG SER A 121 -1.032 -2.458 16.734 1.00 73.31 O ATOM 0 H SER A 121 0.130 -0.171 16.710 1.00 11.52 H new ATOM 0 HA SER A 121 0.367 -1.884 14.467 1.00 62.22 H new ATOM 0 HB2 SER A 121 -2.140 -0.918 15.929 1.00 40.50 H new ATOM 0 HB3 SER A 121 -2.021 -2.353 14.929 1.00 40.50 H new ATOM 0 HG SER A 121 -1.812 -2.838 17.190 1.00 73.31 H new ATOM 1653 N VAL A 122 -0.612 -0.787 12.476 1.00 72.01 N ATOM 1654 CA VAL A 122 -1.012 -0.095 11.246 1.00 71.03 C ATOM 1655 C VAL A 122 -2.366 -0.602 10.731 1.00 34.30 C ATOM 1656 O VAL A 122 -2.555 -1.798 10.509 1.00 53.02 O ATOM 1657 CB VAL A 122 0.056 -0.282 10.142 1.00 63.31 C ATOM 1658 CG1 VAL A 122 -0.324 0.481 8.875 1.00 2.04 C ATOM 1659 CG2 VAL A 122 1.429 0.150 10.651 1.00 11.43 C ATOM 0 H VAL A 122 -0.201 -1.707 12.319 1.00 72.01 H new ATOM 0 HA VAL A 122 -1.105 0.964 11.488 1.00 71.03 H new ATOM 0 HB VAL A 122 0.103 -1.341 9.888 1.00 63.31 H new ATOM 0 HG11 VAL A 122 0.444 0.332 8.116 1.00 2.04 H new ATOM 0 HG12 VAL A 122 -1.280 0.113 8.501 1.00 2.04 H new ATOM 0 HG13 VAL A 122 -0.408 1.544 9.102 1.00 2.04 H new ATOM 0 HG21 VAL A 122 2.169 0.012 9.863 1.00 11.43 H new ATOM 0 HG22 VAL A 122 1.396 1.201 10.939 1.00 11.43 H new ATOM 0 HG23 VAL A 122 1.703 -0.454 11.516 1.00 11.43 H new ATOM 1669 N GLU A 123 -3.304 0.318 10.543 1.00 32.44 N ATOM 1670 CA GLU A 123 -4.658 -0.027 10.099 1.00 14.53 C ATOM 1671 C GLU A 123 -4.829 0.245 8.594 1.00 42.54 C ATOM 1672 O GLU A 123 -4.819 1.398 8.160 1.00 74.24 O ATOM 1673 CB GLU A 123 -5.682 0.778 10.912 1.00 41.41 C ATOM 1674 CG GLU A 123 -5.398 0.762 12.413 1.00 10.14 C ATOM 1675 CD GLU A 123 -6.467 1.461 13.238 1.00 33.31 C ATOM 1676 OE1 GLU A 123 -6.545 2.706 13.192 1.00 42.15 O ATOM 1677 OE2 GLU A 123 -7.221 0.765 13.953 1.00 72.41 O ATOM 0 H GLU A 123 -3.155 1.316 10.691 1.00 32.44 H new ATOM 0 HA GLU A 123 -4.823 -1.092 10.265 1.00 14.53 H new ATOM 0 HB2 GLU A 123 -5.687 1.810 10.560 1.00 41.41 H new ATOM 0 HB3 GLU A 123 -6.679 0.375 10.732 1.00 41.41 H new ATOM 0 HG2 GLU A 123 -5.310 -0.272 12.747 1.00 10.14 H new ATOM 0 HG3 GLU A 123 -4.436 1.240 12.598 1.00 10.14 H new ATOM 1684 N VAL A 124 -4.971 -0.819 7.802 1.00 62.43 N ATOM 1685 CA VAL A 124 -5.087 -0.692 6.337 1.00 52.22 C ATOM 1686 C VAL A 124 -6.467 -1.140 5.820 1.00 74.11 C ATOM 1687 O VAL A 124 -7.138 -1.976 6.435 1.00 5.13 O ATOM 1688 CB VAL A 124 -3.985 -1.514 5.612 1.00 60.42 C ATOM 1689 CG1 VAL A 124 -2.591 -1.026 6.005 1.00 71.41 C ATOM 1690 CG2 VAL A 124 -4.133 -3.006 5.904 1.00 13.34 C ATOM 0 H VAL A 124 -5.009 -1.779 8.144 1.00 62.43 H new ATOM 0 HA VAL A 124 -4.960 0.367 6.114 1.00 52.22 H new ATOM 0 HB VAL A 124 -4.109 -1.363 4.540 1.00 60.42 H new ATOM 0 HG11 VAL A 124 -1.838 -1.618 5.484 1.00 71.41 H new ATOM 0 HG12 VAL A 124 -2.482 0.023 5.730 1.00 71.41 H new ATOM 0 HG13 VAL A 124 -2.457 -1.135 7.081 1.00 71.41 H new ATOM 0 HG21 VAL A 124 -3.350 -3.558 5.385 1.00 13.34 H new ATOM 0 HG22 VAL A 124 -4.047 -3.177 6.977 1.00 13.34 H new ATOM 0 HG23 VAL A 124 -5.108 -3.349 5.559 1.00 13.34 H new ATOM 1700 N SER A 125 -6.884 -0.580 4.682 1.00 21.34 N ATOM 1701 CA SER A 125 -8.163 -0.941 4.050 1.00 33.31 C ATOM 1702 C SER A 125 -7.955 -1.906 2.873 1.00 2.02 C ATOM 1703 O SER A 125 -7.241 -1.600 1.914 1.00 35.34 O ATOM 1704 CB SER A 125 -8.908 0.316 3.573 1.00 0.41 C ATOM 1705 OG SER A 125 -8.102 1.112 2.712 1.00 53.52 O ATOM 0 H SER A 125 -6.354 0.129 4.175 1.00 21.34 H new ATOM 0 HA SER A 125 -8.768 -1.447 4.803 1.00 33.31 H new ATOM 0 HB2 SER A 125 -9.819 0.023 3.050 1.00 0.41 H new ATOM 0 HB3 SER A 125 -9.212 0.908 4.436 1.00 0.41 H new ATOM 0 HG SER A 125 -7.849 1.939 3.173 1.00 53.52 H new ATOM 1711 N GLU A 126 -8.587 -3.073 2.960 1.00 31.02 N ATOM 1712 CA GLU A 126 -8.465 -4.117 1.934 1.00 53.54 C ATOM 1713 C GLU A 126 -9.845 -4.589 1.450 1.00 43.25 C ATOM 1714 O GLU A 126 -10.675 -5.021 2.251 1.00 24.25 O ATOM 1715 CB GLU A 126 -7.703 -5.318 2.507 1.00 45.22 C ATOM 1716 CG GLU A 126 -7.581 -6.490 1.535 1.00 63.35 C ATOM 1717 CD GLU A 126 -7.320 -7.810 2.242 1.00 72.22 C ATOM 1718 OE1 GLU A 126 -6.152 -8.093 2.566 1.00 44.04 O ATOM 1719 OE2 GLU A 126 -8.290 -8.564 2.479 1.00 1.03 O ATOM 0 H GLU A 126 -9.197 -3.326 3.738 1.00 31.02 H new ATOM 0 HA GLU A 126 -7.924 -3.693 1.088 1.00 53.54 H new ATOM 0 HB2 GLU A 126 -6.704 -4.996 2.801 1.00 45.22 H new ATOM 0 HB3 GLU A 126 -8.207 -5.659 3.411 1.00 45.22 H new ATOM 0 HG2 GLU A 126 -8.498 -6.570 0.951 1.00 63.35 H new ATOM 0 HG3 GLU A 126 -6.772 -6.292 0.832 1.00 63.35 H new ATOM 1726 N MET A 127 -10.096 -4.519 0.145 1.00 64.10 N ATOM 1727 CA MET A 127 -11.349 -5.045 -0.417 1.00 72.13 C ATOM 1728 C MET A 127 -11.411 -6.573 -0.255 1.00 51.44 C ATOM 1729 O MET A 127 -10.641 -7.303 -0.875 1.00 33.33 O ATOM 1730 CB MET A 127 -11.488 -4.656 -1.896 1.00 50.31 C ATOM 1731 CG MET A 127 -12.740 -5.218 -2.565 1.00 55.12 C ATOM 1732 SD MET A 127 -13.055 -4.481 -4.177 1.00 54.23 S ATOM 1733 CE MET A 127 -13.431 -2.799 -3.695 1.00 61.31 C ATOM 0 H MET A 127 -9.461 -4.110 -0.540 1.00 64.10 H new ATOM 0 HA MET A 127 -12.181 -4.604 0.132 1.00 72.13 H new ATOM 0 HB2 MET A 127 -11.501 -3.569 -1.977 1.00 50.31 H new ATOM 0 HB3 MET A 127 -10.609 -5.005 -2.438 1.00 50.31 H new ATOM 0 HG2 MET A 127 -12.634 -6.297 -2.678 1.00 55.12 H new ATOM 0 HG3 MET A 127 -13.600 -5.048 -1.918 1.00 55.12 H new ATOM 0 HE1 MET A 127 -14.458 -2.562 -3.972 1.00 61.31 H new ATOM 0 HE2 MET A 127 -13.312 -2.694 -2.617 1.00 61.31 H new ATOM 0 HE3 MET A 127 -12.752 -2.114 -4.203 1.00 61.31 H new ATOM 1878 N GLU A 138 -11.329 -3.689 7.341 1.00 23.33 N ATOM 1879 CA GLU A 138 -10.348 -2.899 8.090 1.00 21.03 C ATOM 1880 C GLU A 138 -9.371 -3.828 8.826 1.00 55.34 C ATOM 1881 O GLU A 138 -9.717 -4.434 9.842 1.00 74.21 O ATOM 1882 CB GLU A 138 -11.072 -1.973 9.080 1.00 53.32 C ATOM 1883 CG GLU A 138 -12.040 -1.003 8.407 1.00 54.32 C ATOM 1884 CD GLU A 138 -12.892 -0.227 9.403 1.00 31.32 C ATOM 1885 OE1 GLU A 138 -12.466 0.855 9.847 1.00 23.21 O ATOM 1886 OE2 GLU A 138 -14.001 -0.701 9.738 1.00 5.52 O ATOM 0 HA GLU A 138 -9.775 -2.285 7.395 1.00 21.03 H new ATOM 0 HB2 GLU A 138 -11.620 -2.581 9.800 1.00 53.32 H new ATOM 0 HB3 GLU A 138 -10.331 -1.404 9.642 1.00 53.32 H new ATOM 0 HG2 GLU A 138 -11.475 -0.300 7.795 1.00 54.32 H new ATOM 0 HG3 GLU A 138 -12.693 -1.558 7.734 1.00 54.32 H new ATOM 1893 N ARG A 139 -8.156 -3.955 8.295 1.00 52.34 N ATOM 1894 CA ARG A 139 -7.158 -4.881 8.843 1.00 54.00 C ATOM 1895 C ARG A 139 -6.082 -4.139 9.657 1.00 11.20 C ATOM 1896 O ARG A 139 -5.215 -3.466 9.096 1.00 53.35 O ATOM 1897 CB ARG A 139 -6.495 -5.675 7.703 1.00 22.02 C ATOM 1898 CG ARG A 139 -5.468 -6.696 8.186 1.00 75.23 C ATOM 1899 CD ARG A 139 -4.709 -7.352 7.037 1.00 54.35 C ATOM 1900 NE ARG A 139 -5.562 -8.192 6.199 1.00 74.53 N ATOM 1901 CZ ARG A 139 -5.142 -9.262 5.578 1.00 63.54 C ATOM 1902 NH1 ARG A 139 -3.918 -9.668 5.706 1.00 0.23 N ATOM 1903 NH2 ARG A 139 -5.952 -9.937 4.843 1.00 71.12 N ATOM 0 H ARG A 139 -7.835 -3.428 7.483 1.00 52.34 H new ATOM 0 HA ARG A 139 -7.674 -5.567 9.515 1.00 54.00 H new ATOM 0 HB2 ARG A 139 -7.268 -6.191 7.134 1.00 22.02 H new ATOM 0 HB3 ARG A 139 -6.009 -4.978 7.021 1.00 22.02 H new ATOM 0 HG2 ARG A 139 -4.758 -6.205 8.852 1.00 75.23 H new ATOM 0 HG3 ARG A 139 -5.973 -7.466 8.770 1.00 75.23 H new ATOM 0 HD2 ARG A 139 -4.252 -6.578 6.421 1.00 54.35 H new ATOM 0 HD3 ARG A 139 -3.898 -7.957 7.442 1.00 54.35 H new ATOM 0 HE ARG A 139 -6.541 -7.928 6.093 1.00 74.53 H new ATOM 0 HH11 ARG A 139 -3.268 -9.150 6.298 1.00 0.23 H new ATOM 0 HH12 ARG A 139 -3.604 -10.505 5.215 1.00 0.23 H new ATOM 0 HH21 ARG A 139 -6.922 -9.637 4.745 1.00 71.12 H new ATOM 0 HH22 ARG A 139 -5.625 -10.772 4.358 1.00 71.12 H new ATOM 1917 N THR A 140 -6.152 -4.256 10.983 1.00 31.03 N ATOM 1918 CA THR A 140 -5.129 -3.679 11.869 1.00 71.20 C ATOM 1919 C THR A 140 -3.967 -4.661 12.090 1.00 75.30 C ATOM 1920 O THR A 140 -4.099 -5.639 12.829 1.00 12.11 O ATOM 1921 CB THR A 140 -5.716 -3.285 13.247 1.00 52.43 C ATOM 1922 OG1 THR A 140 -6.845 -2.412 13.078 1.00 35.22 O ATOM 1923 CG2 THR A 140 -4.667 -2.596 14.117 1.00 41.04 C ATOM 0 H THR A 140 -6.903 -4.743 11.471 1.00 31.03 H new ATOM 0 HA THR A 140 -4.761 -2.782 11.371 1.00 71.20 H new ATOM 0 HB THR A 140 -6.035 -4.200 13.745 1.00 52.43 H new ATOM 0 HG1 THR A 140 -7.207 -2.172 13.956 1.00 35.22 H new ATOM 0 HG21 THR A 140 -5.108 -2.331 15.078 1.00 41.04 H new ATOM 0 HG22 THR A 140 -3.827 -3.271 14.277 1.00 41.04 H new ATOM 0 HG23 THR A 140 -4.316 -1.693 13.618 1.00 41.04 H new ATOM 1931 N ILE A 141 -2.835 -4.399 11.444 1.00 74.04 N ATOM 1932 CA ILE A 141 -1.655 -5.269 11.535 1.00 24.51 C ATOM 1933 C ILE A 141 -0.690 -4.803 12.641 1.00 24.32 C ATOM 1934 O ILE A 141 -0.475 -3.605 12.824 1.00 1.01 O ATOM 1935 CB ILE A 141 -0.899 -5.304 10.179 1.00 51.25 C ATOM 1936 CG1 ILE A 141 -1.845 -5.744 9.047 1.00 75.53 C ATOM 1937 CG2 ILE A 141 0.311 -6.233 10.253 1.00 2.03 C ATOM 1938 CD1 ILE A 141 -1.198 -5.770 7.675 1.00 1.32 C ATOM 0 H ILE A 141 -2.704 -3.584 10.845 1.00 74.04 H new ATOM 0 HA ILE A 141 -2.010 -6.269 11.784 1.00 24.51 H new ATOM 0 HB ILE A 141 -0.542 -4.297 9.964 1.00 51.25 H new ATOM 0 HG12 ILE A 141 -2.229 -6.738 9.275 1.00 75.53 H new ATOM 0 HG13 ILE A 141 -2.701 -5.070 9.021 1.00 75.53 H new ATOM 0 HG21 ILE A 141 0.824 -6.240 9.291 1.00 2.03 H new ATOM 0 HG22 ILE A 141 0.994 -5.880 11.026 1.00 2.03 H new ATOM 0 HG23 ILE A 141 -0.020 -7.243 10.495 1.00 2.03 H new ATOM 0 HD11 ILE A 141 -1.930 -6.090 6.934 1.00 1.32 H new ATOM 0 HD12 ILE A 141 -0.839 -4.772 7.423 1.00 1.32 H new ATOM 0 HD13 ILE A 141 -0.360 -6.467 7.681 1.00 1.32 H new ATOM 1950 N SER A 142 -0.113 -5.760 13.376 1.00 75.04 N ATOM 1951 CA SER A 142 0.870 -5.451 14.430 1.00 24.35 C ATOM 1952 C SER A 142 2.137 -4.813 13.842 1.00 3.54 C ATOM 1953 O SER A 142 2.548 -5.157 12.737 1.00 52.21 O ATOM 1954 CB SER A 142 1.262 -6.723 15.194 1.00 43.43 C ATOM 1955 OG SER A 142 0.122 -7.389 15.723 1.00 5.10 O ATOM 0 H SER A 142 -0.307 -6.755 13.264 1.00 75.04 H new ATOM 0 HA SER A 142 0.400 -4.743 15.112 1.00 24.35 H new ATOM 0 HB2 SER A 142 1.801 -7.397 14.528 1.00 43.43 H new ATOM 0 HB3 SER A 142 1.943 -6.465 16.005 1.00 43.43 H new ATOM 0 HG SER A 142 0.407 -8.195 16.202 1.00 5.10 H new ATOM 1961 N ALA A 143 2.760 -3.909 14.600 1.00 33.52 N ATOM 1962 CA ALA A 143 3.948 -3.176 14.140 1.00 42.34 C ATOM 1963 C ALA A 143 5.050 -4.108 13.607 1.00 74.43 C ATOM 1964 O ALA A 143 5.600 -3.872 12.533 1.00 11.00 O ATOM 1965 CB ALA A 143 4.496 -2.314 15.272 1.00 44.13 C ATOM 0 H ALA A 143 2.461 -3.663 15.544 1.00 33.52 H new ATOM 0 HA ALA A 143 3.635 -2.544 13.309 1.00 42.34 H new ATOM 0 HB1 ALA A 143 5.376 -1.773 14.924 1.00 44.13 H new ATOM 0 HB2 ALA A 143 3.734 -1.601 15.588 1.00 44.13 H new ATOM 0 HB3 ALA A 143 4.770 -2.950 16.114 1.00 44.13 H new ATOM 1971 N GLY A 144 5.362 -5.164 14.364 1.00 33.12 N ATOM 1972 CA GLY A 144 6.405 -6.110 13.965 1.00 10.42 C ATOM 1973 C GLY A 144 6.175 -6.742 12.591 1.00 60.34 C ATOM 1974 O GLY A 144 7.126 -7.009 11.852 1.00 44.33 O ATOM 0 H GLY A 144 4.909 -5.384 15.251 1.00 33.12 H new ATOM 0 HA2 GLY A 144 7.366 -5.596 13.961 1.00 10.42 H new ATOM 0 HA3 GLY A 144 6.469 -6.901 14.712 1.00 10.42 H new ATOM 1978 N GLU A 145 4.913 -6.985 12.250 1.00 75.21 N ATOM 1979 CA GLU A 145 4.556 -7.569 10.952 1.00 41.12 C ATOM 1980 C GLU A 145 4.354 -6.480 9.884 1.00 11.13 C ATOM 1981 O GLU A 145 4.693 -6.668 8.716 1.00 13.21 O ATOM 1982 CB GLU A 145 3.283 -8.413 11.096 1.00 3.02 C ATOM 1983 CG GLU A 145 2.841 -9.090 9.801 1.00 55.43 C ATOM 1984 CD GLU A 145 1.632 -9.989 9.998 1.00 62.11 C ATOM 1985 OE1 GLU A 145 1.804 -11.117 10.504 1.00 52.24 O ATOM 1986 OE2 GLU A 145 0.509 -9.574 9.649 1.00 11.41 O ATOM 0 H GLU A 145 4.115 -6.787 12.854 1.00 75.21 H new ATOM 0 HA GLU A 145 5.379 -8.206 10.626 1.00 41.12 H new ATOM 0 HB2 GLU A 145 3.449 -9.177 11.856 1.00 3.02 H new ATOM 0 HB3 GLU A 145 2.475 -7.776 11.456 1.00 3.02 H new ATOM 0 HG2 GLU A 145 2.606 -8.328 9.058 1.00 55.43 H new ATOM 0 HG3 GLU A 145 3.667 -9.679 9.403 1.00 55.43 H new ATOM 1993 N ALA A 146 3.814 -5.338 10.298 1.00 41.33 N ATOM 1994 CA ALA A 146 3.551 -4.218 9.387 1.00 65.31 C ATOM 1995 C ALA A 146 4.847 -3.668 8.776 1.00 51.10 C ATOM 1996 O ALA A 146 4.945 -3.496 7.562 1.00 51.52 O ATOM 1997 CB ALA A 146 2.795 -3.118 10.121 1.00 12.53 C ATOM 0 H ALA A 146 3.546 -5.159 11.266 1.00 41.33 H new ATOM 0 HA ALA A 146 2.937 -4.588 8.566 1.00 65.31 H new ATOM 0 HB1 ALA A 146 2.604 -2.290 9.438 1.00 12.53 H new ATOM 0 HB2 ALA A 146 1.847 -3.511 10.489 1.00 12.53 H new ATOM 0 HB3 ALA A 146 3.392 -2.764 10.961 1.00 12.53 H new ATOM 2003 N SER A 147 5.850 -3.429 9.621 1.00 2.52 N ATOM 2004 CA SER A 147 7.152 -2.915 9.165 1.00 44.04 C ATOM 2005 C SER A 147 7.905 -3.944 8.302 1.00 72.31 C ATOM 2006 O SER A 147 8.941 -3.635 7.709 1.00 74.51 O ATOM 2007 CB SER A 147 8.016 -2.502 10.364 1.00 1.01 C ATOM 2008 OG SER A 147 8.191 -3.578 11.277 1.00 30.40 O ATOM 0 H SER A 147 5.790 -3.582 10.628 1.00 2.52 H new ATOM 0 HA SER A 147 6.956 -2.040 8.545 1.00 44.04 H new ATOM 0 HB2 SER A 147 8.989 -2.161 10.012 1.00 1.01 H new ATOM 0 HB3 SER A 147 7.550 -1.661 10.877 1.00 1.01 H new ATOM 0 HG SER A 147 7.370 -3.703 11.797 1.00 30.40 H new ATOM 2014 N SER A 148 7.384 -5.171 8.243 1.00 20.10 N ATOM 2015 CA SER A 148 7.934 -6.213 7.361 1.00 52.15 C ATOM 2016 C SER A 148 7.468 -6.004 5.914 1.00 45.14 C ATOM 2017 O SER A 148 7.971 -6.641 4.984 1.00 22.30 O ATOM 2018 CB SER A 148 7.514 -7.611 7.846 1.00 35.45 C ATOM 2019 OG SER A 148 8.043 -8.644 7.018 1.00 11.50 O ATOM 0 H SER A 148 6.581 -5.472 8.795 1.00 20.10 H new ATOM 0 HA SER A 148 9.021 -6.139 7.393 1.00 52.15 H new ATOM 0 HB2 SER A 148 7.855 -7.757 8.871 1.00 35.45 H new ATOM 0 HB3 SER A 148 6.426 -7.678 7.860 1.00 35.45 H new ATOM 0 HG SER A 148 8.205 -8.291 6.118 1.00 11.50 H new ATOM 2025 N TYR A 149 6.493 -5.119 5.737 1.00 70.31 N ATOM 2026 CA TYR A 149 5.985 -4.765 4.412 1.00 61.11 C ATOM 2027 C TYR A 149 6.477 -3.365 4.008 1.00 65.12 C ATOM 2028 O TYR A 149 6.444 -2.432 4.806 1.00 20.42 O ATOM 2029 CB TYR A 149 4.450 -4.814 4.403 1.00 71.10 C ATOM 2030 CG TYR A 149 3.874 -6.161 4.814 1.00 41.21 C ATOM 2031 CD1 TYR A 149 4.244 -7.330 4.156 1.00 31.10 C ATOM 2032 CD2 TYR A 149 2.946 -6.261 5.849 1.00 10.11 C ATOM 2033 CE1 TYR A 149 3.712 -8.555 4.517 1.00 40.30 C ATOM 2034 CE2 TYR A 149 2.413 -7.483 6.215 1.00 72.40 C ATOM 2035 CZ TYR A 149 2.795 -8.625 5.546 1.00 13.15 C ATOM 2036 OH TYR A 149 2.259 -9.845 5.906 1.00 63.03 O ATOM 0 H TYR A 149 6.033 -4.627 6.503 1.00 70.31 H new ATOM 0 HA TYR A 149 6.362 -5.488 3.688 1.00 61.11 H new ATOM 0 HB2 TYR A 149 4.068 -4.046 5.075 1.00 71.10 H new ATOM 0 HB3 TYR A 149 4.094 -4.568 3.403 1.00 71.10 H new ATOM 0 HD1 TYR A 149 4.960 -7.280 3.349 1.00 31.10 H new ATOM 0 HD2 TYR A 149 2.638 -5.369 6.374 1.00 10.11 H new ATOM 0 HE1 TYR A 149 4.013 -9.452 3.996 1.00 40.30 H new ATOM 0 HE2 TYR A 149 1.699 -7.542 7.023 1.00 72.40 H new ATOM 0 HH TYR A 149 1.631 -9.720 6.648 1.00 63.03 H new ATOM 2046 N ASN A 150 6.937 -3.225 2.771 1.00 24.33 N ATOM 2047 CA ASN A 150 7.468 -1.944 2.281 1.00 63.24 C ATOM 2048 C ASN A 150 6.343 -0.992 1.824 1.00 21.34 C ATOM 2049 O ASN A 150 5.470 -1.371 1.043 1.00 34.45 O ATOM 2050 CB ASN A 150 8.499 -2.177 1.159 1.00 55.01 C ATOM 2051 CG ASN A 150 8.076 -3.205 0.120 1.00 62.31 C ATOM 2052 OD1 ASN A 150 7.257 -4.080 0.369 1.00 3.12 O ATOM 2053 ND2 ASN A 150 8.676 -3.135 -1.047 1.00 52.24 N ATOM 0 H ASN A 150 6.956 -3.978 2.083 1.00 24.33 H new ATOM 0 HA ASN A 150 7.975 -1.456 3.113 1.00 63.24 H new ATOM 0 HB2 ASN A 150 8.692 -1.229 0.657 1.00 55.01 H new ATOM 0 HB3 ASN A 150 9.440 -2.497 1.607 1.00 55.01 H new ATOM 0 HD21 ASN A 150 8.463 -3.820 -1.772 1.00 52.24 H new ATOM 0 HD22 ASN A 150 9.355 -2.395 -1.228 1.00 52.24 H new ATOM 2060 N TYR A 151 6.383 0.253 2.320 1.00 12.10 N ATOM 2061 CA TYR A 151 5.314 1.238 2.082 1.00 55.24 C ATOM 2062 C TYR A 151 5.669 2.239 0.968 1.00 20.24 C ATOM 2063 O TYR A 151 6.681 2.939 1.041 1.00 11.01 O ATOM 2064 CB TYR A 151 5.012 2.017 3.374 1.00 24.21 C ATOM 2065 CG TYR A 151 4.471 1.164 4.508 1.00 34.55 C ATOM 2066 CD1 TYR A 151 5.327 0.482 5.369 1.00 43.22 C ATOM 2067 CD2 TYR A 151 3.101 1.040 4.716 1.00 15.30 C ATOM 2068 CE1 TYR A 151 4.833 -0.293 6.401 1.00 32.12 C ATOM 2069 CE2 TYR A 151 2.601 0.267 5.747 1.00 73.03 C ATOM 2070 CZ TYR A 151 3.471 -0.400 6.584 1.00 12.01 C ATOM 2071 OH TYR A 151 2.976 -1.168 7.615 1.00 1.51 O ATOM 0 H TYR A 151 7.150 0.605 2.893 1.00 12.10 H new ATOM 0 HA TYR A 151 4.437 0.675 1.762 1.00 55.24 H new ATOM 0 HB2 TYR A 151 5.925 2.509 3.709 1.00 24.21 H new ATOM 0 HB3 TYR A 151 4.290 2.803 3.150 1.00 24.21 H new ATOM 0 HD1 TYR A 151 6.395 0.560 5.228 1.00 43.22 H new ATOM 0 HD2 TYR A 151 2.416 1.557 4.060 1.00 15.30 H new ATOM 0 HE1 TYR A 151 5.511 -0.813 7.061 1.00 32.12 H new ATOM 0 HE2 TYR A 151 1.534 0.186 5.896 1.00 73.03 H new ATOM 0 HH TYR A 151 1.997 -1.137 7.605 1.00 1.51 H new ATOM 2081 N ILE A 152 4.811 2.316 -0.046 1.00 31.01 N ATOM 2082 CA ILE A 152 4.935 3.321 -1.106 1.00 22.44 C ATOM 2083 C ILE A 152 4.233 4.630 -0.696 1.00 33.21 C ATOM 2084 O ILE A 152 3.045 4.632 -0.374 1.00 4.24 O ATOM 2085 CB ILE A 152 4.321 2.832 -2.453 1.00 30.42 C ATOM 2086 CG1 ILE A 152 4.975 1.519 -2.935 1.00 62.13 C ATOM 2087 CG2 ILE A 152 4.455 3.914 -3.530 1.00 1.53 C ATOM 2088 CD1 ILE A 152 4.526 0.279 -2.185 1.00 72.12 C ATOM 0 H ILE A 152 4.014 1.689 -0.159 1.00 31.01 H new ATOM 0 HA ILE A 152 6.002 3.492 -1.249 1.00 22.44 H new ATOM 0 HB ILE A 152 3.264 2.634 -2.277 1.00 30.42 H new ATOM 0 HG12 ILE A 152 4.756 1.386 -3.994 1.00 62.13 H new ATOM 0 HG13 ILE A 152 6.057 1.612 -2.843 1.00 62.13 H new ATOM 0 HG21 ILE A 152 4.021 3.554 -4.463 1.00 1.53 H new ATOM 0 HG22 ILE A 152 3.931 4.814 -3.209 1.00 1.53 H new ATOM 0 HG23 ILE A 152 5.509 4.144 -3.685 1.00 1.53 H new ATOM 0 HD11 ILE A 152 5.036 -0.595 -2.590 1.00 72.12 H new ATOM 0 HD12 ILE A 152 4.770 0.385 -1.128 1.00 72.12 H new ATOM 0 HD13 ILE A 152 3.449 0.156 -2.298 1.00 72.12 H new ATOM 2100 N HIS A 153 4.972 5.736 -0.711 1.00 24.13 N ATOM 2101 CA HIS A 153 4.422 7.061 -0.378 1.00 71.13 C ATOM 2102 C HIS A 153 4.444 7.973 -1.613 1.00 64.44 C ATOM 2103 O HIS A 153 5.312 7.838 -2.481 1.00 73.41 O ATOM 2104 CB HIS A 153 5.224 7.720 0.765 1.00 21.30 C ATOM 2105 CG HIS A 153 5.198 6.965 2.063 1.00 41.24 C ATOM 2106 ND1 HIS A 153 4.470 7.374 3.165 1.00 74.24 N ATOM 2107 CD2 HIS A 153 5.837 5.831 2.443 1.00 21.02 C ATOM 2108 CE1 HIS A 153 4.664 6.528 4.158 1.00 72.44 C ATOM 2109 NE2 HIS A 153 5.483 5.586 3.746 1.00 52.31 N ATOM 0 H HIS A 153 5.963 5.747 -0.952 1.00 24.13 H new ATOM 0 HA HIS A 153 3.392 6.923 -0.049 1.00 71.13 H new ATOM 0 HB2 HIS A 153 6.260 7.833 0.446 1.00 21.30 H new ATOM 0 HB3 HIS A 153 4.832 8.723 0.935 1.00 21.30 H new ATOM 0 HD2 HIS A 153 6.500 5.233 1.835 1.00 21.02 H new ATOM 0 HE1 HIS A 153 4.225 6.597 5.142 1.00 72.44 H new ATOM 0 HE2 HIS A 153 5.805 4.797 4.307 1.00 52.31 H new ATOM 2118 N LEU A 154 3.489 8.898 -1.694 1.00 43.31 N ATOM 2119 CA LEU A 154 3.409 9.817 -2.833 1.00 50.33 C ATOM 2120 C LEU A 154 4.168 11.122 -2.555 1.00 24.23 C ATOM 2121 O LEU A 154 3.959 11.775 -1.533 1.00 30.43 O ATOM 2122 CB LEU A 154 1.947 10.119 -3.180 1.00 3.14 C ATOM 2123 CG LEU A 154 1.076 8.888 -3.487 1.00 72.34 C ATOM 2124 CD1 LEU A 154 -0.257 9.316 -4.089 1.00 24.42 C ATOM 2125 CD2 LEU A 154 1.812 7.913 -4.411 1.00 31.04 C ATOM 0 H LEU A 154 2.763 9.032 -0.990 1.00 43.31 H new ATOM 0 HA LEU A 154 3.881 9.328 -3.685 1.00 50.33 H new ATOM 0 HB2 LEU A 154 1.498 10.663 -2.349 1.00 3.14 H new ATOM 0 HB3 LEU A 154 1.926 10.783 -4.044 1.00 3.14 H new ATOM 0 HG LEU A 154 0.875 8.367 -2.551 1.00 72.34 H new ATOM 0 HD11 LEU A 154 -0.861 8.434 -4.300 1.00 24.42 H new ATOM 0 HD12 LEU A 154 -0.786 9.957 -3.384 1.00 24.42 H new ATOM 0 HD13 LEU A 154 -0.079 9.864 -5.014 1.00 24.42 H new ATOM 0 HD21 LEU A 154 1.175 7.052 -4.613 1.00 31.04 H new ATOM 0 HD22 LEU A 154 2.054 8.413 -5.349 1.00 31.04 H new ATOM 0 HD23 LEU A 154 2.731 7.580 -3.930 1.00 31.04 H new