USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=30 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 92 ASN : amide:sc= 1.41 K(o=2,f=0.044) USER MOD Set 1.2: A 150 ASN : amide:sc= 0.583 K(o=2,f=0.044) USER MOD Set 2.1: A 57 CYS SG : rot 150:sc= 0.814 USER MOD Set 2.2: A 102 SER OG : rot -67:sc= 0.543 USER MOD Set 2.3: A 109 HIS : +bothHN:sc= 0.856 K(o=2.2,f=-4.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.31) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -101:sc= 0.722 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0888 USER MOD Single : A 64 LYS NZ :NH3+ 170:sc= 0.234 (180deg=0.205) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -31:sc= 0.0984 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.932 K(o=-0.93,f=-7.1!) USER MOD Single : A 78 ASN : amide:sc= 0.95 K(o=0.95,f=-0.5) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -78:sc= 0.26 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 74:sc= 1.06 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -0.0745 F(o=-0.88,f=-0.074) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -77:sc= 1.1 USER MOD Single : A 101 GLN : amide:sc= -0.599 K(o=-0.6,f=-3!) USER MOD Single : A 112 TYR OH : rot 180:sc= -0.543 USER MOD Single : A 115 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.67) USER MOD Single : A 117 ASN : amide:sc= 0.745 K(o=0.75,f=0) 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 -130:sc= -1.76! USER MOD Single : A 127 MET CE :methyl 167:sc= -0.0352 (180deg=-0.284) USER MOD Single : A 140 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot -27:sc= 0.428 USER MOD Single : A 148 SER OG : rot 148:sc= 0.569 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 TYR OH : rot -1:sc= -0.0559 USER MOD Single : A 153 HIS : no HE2:sc= -0.269 K(o=-0.27,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 723 N THR A 53 -8.395 -6.066 -12.922 1.00 71.52 N ATOM 724 CA THR A 53 -9.566 -6.957 -12.961 1.00 72.13 C ATOM 725 C THR A 53 -10.354 -6.896 -11.645 1.00 62.41 C ATOM 726 O THR A 53 -9.772 -6.765 -10.562 1.00 73.31 O ATOM 727 CB THR A 53 -9.161 -8.422 -13.249 1.00 12.13 C ATOM 728 OG1 THR A 53 -10.322 -9.263 -13.290 1.00 11.34 O ATOM 729 CG2 THR A 53 -8.192 -8.946 -12.197 1.00 53.40 C ATOM 0 HA THR A 53 -10.200 -6.605 -13.774 1.00 72.13 H new ATOM 0 HB THR A 53 -8.664 -8.441 -14.219 1.00 12.13 H new ATOM 0 HG1 THR A 53 -10.051 -10.186 -13.475 1.00 11.34 H new ATOM 0 HG21 THR A 53 -7.927 -9.978 -12.428 1.00 53.40 H new ATOM 0 HG22 THR A 53 -7.291 -8.332 -12.194 1.00 53.40 H new ATOM 0 HG23 THR A 53 -8.663 -8.904 -11.215 1.00 53.40 H new ATOM 737 N ALA A 54 -11.678 -7.001 -11.742 1.00 72.34 N ATOM 738 CA ALA A 54 -12.556 -6.864 -10.573 1.00 42.31 C ATOM 739 C ALA A 54 -12.411 -8.045 -9.600 1.00 63.34 C ATOM 740 O ALA A 54 -13.150 -9.028 -9.679 1.00 21.34 O ATOM 741 CB ALA A 54 -14.008 -6.710 -11.020 1.00 22.01 C ATOM 0 H ALA A 54 -12.170 -7.181 -12.617 1.00 72.34 H new ATOM 0 HA ALA A 54 -12.251 -5.966 -10.035 1.00 42.31 H new ATOM 0 HB1 ALA A 54 -14.649 -6.609 -10.145 1.00 22.01 H new ATOM 0 HB2 ALA A 54 -14.104 -5.822 -11.644 1.00 22.01 H new ATOM 0 HB3 ALA A 54 -14.308 -7.589 -11.591 1.00 22.01 H new ATOM 747 N GLY A 55 -11.444 -7.948 -8.690 1.00 12.23 N ATOM 748 CA GLY A 55 -11.225 -9.012 -7.712 1.00 15.43 C ATOM 749 C GLY A 55 -9.839 -8.985 -7.077 1.00 1.11 C ATOM 750 O GLY A 55 -9.669 -9.401 -5.929 1.00 14.14 O ATOM 0 H GLY A 55 -10.807 -7.155 -8.609 1.00 12.23 H new ATOM 0 HA2 GLY A 55 -11.976 -8.932 -6.927 1.00 15.43 H new ATOM 0 HA3 GLY A 55 -11.374 -9.976 -8.198 1.00 15.43 H new ATOM 754 N GLN A 56 -8.845 -8.501 -7.818 1.00 32.45 N ATOM 755 CA GLN A 56 -7.464 -8.463 -7.321 1.00 2.53 C ATOM 756 C GLN A 56 -7.230 -7.277 -6.372 1.00 23.40 C ATOM 757 O GLN A 56 -7.867 -6.232 -6.488 1.00 53.45 O ATOM 758 CB GLN A 56 -6.476 -8.418 -8.495 1.00 41.32 C ATOM 759 CG GLN A 56 -6.518 -9.666 -9.367 1.00 54.22 C ATOM 760 CD GLN A 56 -6.196 -10.933 -8.594 1.00 63.22 C ATOM 761 OE1 GLN A 56 -7.079 -11.583 -8.038 1.00 62.41 O ATOM 762 NE2 GLN A 56 -4.932 -11.293 -8.555 1.00 73.45 N ATOM 0 H GLN A 56 -8.965 -8.130 -8.761 1.00 32.45 H new ATOM 0 HA GLN A 56 -7.294 -9.375 -6.749 1.00 2.53 H new ATOM 0 HB2 GLN A 56 -6.694 -7.546 -9.111 1.00 41.32 H new ATOM 0 HB3 GLN A 56 -5.466 -8.289 -8.106 1.00 41.32 H new ATOM 0 HG2 GLN A 56 -7.508 -9.759 -9.813 1.00 54.22 H new ATOM 0 HG3 GLN A 56 -5.808 -9.555 -10.187 1.00 54.22 H new ATOM 0 HE21 GLN A 56 -4.226 -10.729 -9.028 1.00 73.45 H new ATOM 0 HE22 GLN A 56 -4.657 -12.136 -8.051 1.00 73.45 H new ATOM 771 N CYS A 57 -6.295 -7.455 -5.440 1.00 53.51 N ATOM 772 CA CYS A 57 -6.002 -6.453 -4.404 1.00 71.21 C ATOM 773 C CYS A 57 -5.679 -5.073 -5.003 1.00 55.14 C ATOM 774 O CYS A 57 -6.125 -4.042 -4.500 1.00 30.43 O ATOM 775 CB CYS A 57 -4.825 -6.933 -3.549 1.00 63.24 C ATOM 776 SG CYS A 57 -4.963 -8.658 -3.022 1.00 2.50 S ATOM 0 H CYS A 57 -5.718 -8.294 -5.378 1.00 53.51 H new ATOM 0 HA CYS A 57 -6.895 -6.341 -3.790 1.00 71.21 H new ATOM 0 HB2 CYS A 57 -3.902 -6.808 -4.115 1.00 63.24 H new ATOM 0 HB3 CYS A 57 -4.746 -6.298 -2.666 1.00 63.24 H new ATOM 0 HG CYS A 57 -3.775 -9.169 -2.893 1.00 2.50 H new ATOM 782 N THR A 58 -4.914 -5.067 -6.092 1.00 10.12 N ATOM 783 CA THR A 58 -4.499 -3.821 -6.755 1.00 63.13 C ATOM 784 C THR A 58 -5.698 -3.027 -7.300 1.00 55.44 C ATOM 785 O THR A 58 -5.627 -1.807 -7.458 1.00 74.11 O ATOM 786 CB THR A 58 -3.528 -4.119 -7.924 1.00 22.23 C ATOM 787 OG1 THR A 58 -4.176 -4.945 -8.905 1.00 13.34 O ATOM 788 CG2 THR A 58 -2.273 -4.825 -7.420 1.00 5.00 C ATOM 0 H THR A 58 -4.564 -5.914 -6.541 1.00 10.12 H new ATOM 0 HA THR A 58 -3.998 -3.219 -5.997 1.00 63.13 H new ATOM 0 HB THR A 58 -3.241 -3.170 -8.376 1.00 22.23 H new ATOM 0 HG1 THR A 58 -3.555 -5.127 -9.641 1.00 13.34 H new ATOM 0 HG21 THR A 58 -1.606 -5.024 -8.259 1.00 5.00 H new ATOM 0 HG22 THR A 58 -1.765 -4.190 -6.695 1.00 5.00 H new ATOM 0 HG23 THR A 58 -2.551 -5.766 -6.946 1.00 5.00 H new ATOM 796 N TRP A 59 -6.801 -3.730 -7.562 1.00 33.43 N ATOM 797 CA TRP A 59 -8.006 -3.124 -8.140 1.00 54.53 C ATOM 798 C TRP A 59 -8.597 -2.023 -7.235 1.00 62.21 C ATOM 799 O TRP A 59 -8.904 -0.922 -7.704 1.00 73.40 O ATOM 800 CB TRP A 59 -9.049 -4.223 -8.404 1.00 31.31 C ATOM 801 CG TRP A 59 -10.321 -3.740 -9.037 1.00 4.14 C ATOM 802 CD1 TRP A 59 -10.477 -3.258 -10.306 1.00 35.41 C ATOM 803 CD2 TRP A 59 -11.621 -3.715 -8.434 1.00 43.11 C ATOM 804 NE1 TRP A 59 -11.791 -2.930 -10.525 1.00 34.15 N ATOM 805 CE2 TRP A 59 -12.513 -3.200 -9.393 1.00 73.31 C ATOM 806 CE3 TRP A 59 -12.118 -4.077 -7.177 1.00 45.34 C ATOM 807 CZ2 TRP A 59 -13.870 -3.035 -9.135 1.00 33.45 C ATOM 808 CZ3 TRP A 59 -13.468 -3.915 -6.923 1.00 43.11 C ATOM 809 CH2 TRP A 59 -14.329 -3.396 -7.899 1.00 14.10 C ATOM 0 H TRP A 59 -6.886 -4.730 -7.381 1.00 33.43 H new ATOM 0 HA TRP A 59 -7.728 -2.644 -9.078 1.00 54.53 H new ATOM 0 HB2 TRP A 59 -8.603 -4.981 -9.048 1.00 31.31 H new ATOM 0 HB3 TRP A 59 -9.291 -4.710 -7.459 1.00 31.31 H new ATOM 0 HD1 TRP A 59 -9.683 -3.151 -11.030 1.00 35.41 H new ATOM 0 HE1 TRP A 59 -12.169 -2.547 -11.391 1.00 34.15 H new ATOM 0 HE3 TRP A 59 -11.460 -4.475 -6.419 1.00 45.34 H new ATOM 0 HZ2 TRP A 59 -14.537 -2.636 -9.885 1.00 33.45 H new ATOM 0 HZ3 TRP A 59 -13.865 -4.193 -5.958 1.00 43.11 H new ATOM 0 HH2 TRP A 59 -15.378 -3.279 -7.670 1.00 14.10 H new ATOM 820 N TYR A 60 -8.748 -2.312 -5.936 1.00 50.11 N ATOM 821 CA TYR A 60 -9.332 -1.335 -5.002 1.00 53.04 C ATOM 822 C TYR A 60 -8.294 -0.289 -4.552 1.00 25.41 C ATOM 823 O TYR A 60 -8.609 0.897 -4.439 1.00 72.23 O ATOM 824 CB TYR A 60 -9.975 -2.031 -3.776 1.00 2.32 C ATOM 825 CG TYR A 60 -8.994 -2.602 -2.760 1.00 5.25 C ATOM 826 CD1 TYR A 60 -8.437 -1.796 -1.771 1.00 43.11 C ATOM 827 CD2 TYR A 60 -8.622 -3.940 -2.792 1.00 11.21 C ATOM 828 CE1 TYR A 60 -7.542 -2.306 -0.853 1.00 10.13 C ATOM 829 CE2 TYR A 60 -7.727 -4.456 -1.877 1.00 71.21 C ATOM 830 CZ TYR A 60 -7.188 -3.636 -0.912 1.00 54.00 C ATOM 831 OH TYR A 60 -6.296 -4.146 -0.001 1.00 71.45 O ATOM 0 H TYR A 60 -8.479 -3.199 -5.511 1.00 50.11 H new ATOM 0 HA TYR A 60 -10.121 -0.813 -5.543 1.00 53.04 H new ATOM 0 HB2 TYR A 60 -10.620 -1.313 -3.269 1.00 2.32 H new ATOM 0 HB3 TYR A 60 -10.614 -2.839 -4.132 1.00 2.32 H new ATOM 0 HD1 TYR A 60 -8.710 -0.752 -1.721 1.00 43.11 H new ATOM 0 HD2 TYR A 60 -9.041 -4.589 -3.547 1.00 11.21 H new ATOM 0 HE1 TYR A 60 -7.121 -1.666 -0.092 1.00 10.13 H new ATOM 0 HE2 TYR A 60 -7.451 -5.499 -1.918 1.00 71.21 H new ATOM 0 HH TYR A 60 -5.411 -4.218 -0.415 1.00 71.45 H new ATOM 841 N VAL A 61 -7.053 -0.727 -4.307 1.00 24.25 N ATOM 842 CA VAL A 61 -5.995 0.177 -3.824 1.00 21.14 C ATOM 843 C VAL A 61 -5.776 1.358 -4.780 1.00 23.42 C ATOM 844 O VAL A 61 -5.611 2.503 -4.346 1.00 71.32 O ATOM 845 CB VAL A 61 -4.643 -0.558 -3.634 1.00 71.32 C ATOM 846 CG1 VAL A 61 -3.592 0.384 -3.049 1.00 74.32 C ATOM 847 CG2 VAL A 61 -4.809 -1.790 -2.755 1.00 3.02 C ATOM 0 H VAL A 61 -6.755 -1.694 -4.433 1.00 24.25 H new ATOM 0 HA VAL A 61 -6.340 0.548 -2.859 1.00 21.14 H new ATOM 0 HB VAL A 61 -4.300 -0.887 -4.615 1.00 71.32 H new ATOM 0 HG11 VAL A 61 -2.652 -0.153 -2.924 1.00 74.32 H new ATOM 0 HG12 VAL A 61 -3.442 1.226 -3.724 1.00 74.32 H new ATOM 0 HG13 VAL A 61 -3.931 0.751 -2.081 1.00 74.32 H new ATOM 0 HG21 VAL A 61 -3.846 -2.286 -2.638 1.00 3.02 H new ATOM 0 HG22 VAL A 61 -5.184 -1.491 -1.776 1.00 3.02 H new ATOM 0 HG23 VAL A 61 -5.517 -2.476 -3.220 1.00 3.02 H new ATOM 857 N TYR A 62 -5.785 1.068 -6.080 1.00 11.54 N ATOM 858 CA TYR A 62 -5.571 2.085 -7.112 1.00 74.22 C ATOM 859 C TYR A 62 -6.581 3.240 -6.973 1.00 52.13 C ATOM 860 O TYR A 62 -6.234 4.410 -7.150 1.00 22.32 O ATOM 861 CB TYR A 62 -5.682 1.436 -8.501 1.00 3.21 C ATOM 862 CG TYR A 62 -4.960 2.194 -9.596 1.00 54.20 C ATOM 863 CD1 TYR A 62 -3.594 2.027 -9.788 1.00 23.30 C ATOM 864 CD2 TYR A 62 -5.639 3.064 -10.441 1.00 2.10 C ATOM 865 CE1 TYR A 62 -2.926 2.704 -10.785 1.00 1.00 C ATOM 866 CE2 TYR A 62 -4.975 3.743 -11.444 1.00 4.54 C ATOM 867 CZ TYR A 62 -3.619 3.558 -11.611 1.00 12.23 C ATOM 868 OH TYR A 62 -2.953 4.232 -12.606 1.00 4.14 O ATOM 0 H TYR A 62 -5.940 0.129 -6.447 1.00 11.54 H new ATOM 0 HA TYR A 62 -4.573 2.504 -6.988 1.00 74.22 H new ATOM 0 HB2 TYR A 62 -5.282 0.423 -8.450 1.00 3.21 H new ATOM 0 HB3 TYR A 62 -6.736 1.350 -8.767 1.00 3.21 H new ATOM 0 HD1 TYR A 62 -3.046 1.355 -9.144 1.00 23.30 H new ATOM 0 HD2 TYR A 62 -6.701 3.211 -10.311 1.00 2.10 H new ATOM 0 HE1 TYR A 62 -1.863 2.565 -10.917 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -5.515 4.415 -12.094 1.00 4.54 H new ATOM 0 HH TYR A 62 -3.586 4.794 -13.101 1.00 4.14 H new ATOM 878 N ASP A 63 -7.826 2.904 -6.630 1.00 20.40 N ATOM 879 CA ASP A 63 -8.870 3.913 -6.423 1.00 71.42 C ATOM 880 C ASP A 63 -8.723 4.584 -5.047 1.00 45.24 C ATOM 881 O ASP A 63 -8.899 5.797 -4.911 1.00 12.32 O ATOM 882 CB ASP A 63 -10.256 3.272 -6.558 1.00 64.44 C ATOM 883 CG ASP A 63 -11.372 4.301 -6.521 1.00 74.34 C ATOM 884 OD1 ASP A 63 -11.514 5.055 -7.508 1.00 11.24 O ATOM 885 OD2 ASP A 63 -12.102 4.367 -5.506 1.00 72.41 O ATOM 0 H ASP A 63 -8.137 1.943 -6.490 1.00 20.40 H new ATOM 0 HA ASP A 63 -8.759 4.682 -7.187 1.00 71.42 H new ATOM 0 HB2 ASP A 63 -10.308 2.717 -7.495 1.00 64.44 H new ATOM 0 HB3 ASP A 63 -10.401 2.552 -5.752 1.00 64.44 H new ATOM 890 N LYS A 64 -8.382 3.784 -4.036 1.00 73.44 N ATOM 891 CA LYS A 64 -8.164 4.281 -2.668 1.00 11.13 C ATOM 892 C LYS A 64 -7.152 5.440 -2.632 1.00 24.24 C ATOM 893 O LYS A 64 -7.370 6.450 -1.962 1.00 55.44 O ATOM 894 CB LYS A 64 -7.667 3.137 -1.768 1.00 72.23 C ATOM 895 CG LYS A 64 -8.712 2.059 -1.490 1.00 72.23 C ATOM 896 CD LYS A 64 -9.840 2.574 -0.601 1.00 33.24 C ATOM 897 CE LYS A 64 -9.330 2.986 0.779 1.00 33.10 C ATOM 898 NZ LYS A 64 -10.397 3.602 1.609 1.00 43.44 N ATOM 0 H LYS A 64 -8.249 2.778 -4.136 1.00 73.44 H new ATOM 0 HA LYS A 64 -9.118 4.658 -2.300 1.00 11.13 H new ATOM 0 HB2 LYS A 64 -6.799 2.673 -2.236 1.00 72.23 H new ATOM 0 HB3 LYS A 64 -7.332 3.556 -0.819 1.00 72.23 H new ATOM 0 HG2 LYS A 64 -9.127 1.704 -2.433 1.00 72.23 H new ATOM 0 HG3 LYS A 64 -8.234 1.205 -1.011 1.00 72.23 H new ATOM 0 HD2 LYS A 64 -10.321 3.427 -1.081 1.00 33.24 H new ATOM 0 HD3 LYS A 64 -10.599 1.800 -0.492 1.00 33.24 H new ATOM 0 HE2 LYS A 64 -8.931 2.112 1.293 1.00 33.10 H new ATOM 0 HE3 LYS A 64 -8.507 3.692 0.665 1.00 33.10 H new ATOM 0 HZ1 LYS A 64 -10.058 3.711 2.586 1.00 43.44 H new ATOM 0 HZ2 LYS A 64 -10.643 4.536 1.222 1.00 43.44 H new ATOM 0 HZ3 LYS A 64 -11.239 2.992 1.601 1.00 43.44 H new ATOM 912 N VAL A 65 -6.047 5.285 -3.357 1.00 73.00 N ATOM 913 CA VAL A 65 -4.996 6.310 -3.395 1.00 20.34 C ATOM 914 C VAL A 65 -5.352 7.467 -4.354 1.00 43.41 C ATOM 915 O VAL A 65 -4.841 8.580 -4.219 1.00 74.01 O ATOM 916 CB VAL A 65 -3.635 5.686 -3.803 1.00 41.32 C ATOM 917 CG1 VAL A 65 -3.678 5.162 -5.239 1.00 3.53 C ATOM 918 CG2 VAL A 65 -2.497 6.685 -3.616 1.00 22.02 C ATOM 0 H VAL A 65 -5.852 4.462 -3.927 1.00 73.00 H new ATOM 0 HA VAL A 65 -4.915 6.721 -2.389 1.00 20.34 H new ATOM 0 HB VAL A 65 -3.446 4.838 -3.145 1.00 41.32 H new ATOM 0 HG11 VAL A 65 -2.711 4.730 -5.498 1.00 3.53 H new ATOM 0 HG12 VAL A 65 -4.451 4.398 -5.325 1.00 3.53 H new ATOM 0 HG13 VAL A 65 -3.903 5.983 -5.919 1.00 3.53 H new ATOM 0 HG21 VAL A 65 -1.555 6.222 -3.909 1.00 22.02 H new ATOM 0 HG22 VAL A 65 -2.678 7.563 -4.236 1.00 22.02 H new ATOM 0 HG23 VAL A 65 -2.444 6.984 -2.569 1.00 22.02 H new ATOM 928 N GLY A 66 -6.240 7.200 -5.314 1.00 62.51 N ATOM 929 CA GLY A 66 -6.652 8.228 -6.273 1.00 13.00 C ATOM 930 C GLY A 66 -6.063 8.034 -7.672 1.00 52.24 C ATOM 931 O GLY A 66 -6.158 8.921 -8.522 1.00 34.34 O ATOM 0 H GLY A 66 -6.684 6.291 -5.448 1.00 62.51 H new ATOM 0 HA2 GLY A 66 -7.740 8.232 -6.343 1.00 13.00 H new ATOM 0 HA3 GLY A 66 -6.354 9.206 -5.895 1.00 13.00 H new ATOM 935 N GLY A 67 -5.441 6.880 -7.910 1.00 4.12 N ATOM 936 CA GLY A 67 -4.880 6.576 -9.226 1.00 64.32 C ATOM 937 C GLY A 67 -3.490 7.169 -9.466 1.00 73.24 C ATOM 938 O GLY A 67 -2.787 6.764 -10.398 1.00 75.03 O ATOM 0 H GLY A 67 -5.313 6.145 -7.214 1.00 4.12 H new ATOM 0 HA2 GLY A 67 -4.827 5.494 -9.345 1.00 64.32 H new ATOM 0 HA3 GLY A 67 -5.559 6.948 -9.993 1.00 64.32 H new ATOM 942 N ASN A 68 -3.081 8.115 -8.627 1.00 74.31 N ATOM 943 CA ASN A 68 -1.791 8.794 -8.794 1.00 53.12 C ATOM 944 C ASN A 68 -0.615 7.934 -8.298 1.00 2.24 C ATOM 945 O ASN A 68 0.010 8.238 -7.287 1.00 22.51 O ATOM 946 CB ASN A 68 -1.803 10.154 -8.082 1.00 71.34 C ATOM 947 CG ASN A 68 -2.805 11.125 -8.687 1.00 40.01 C ATOM 948 OD1 ASN A 68 -3.136 11.042 -9.866 1.00 64.30 O ATOM 949 ND2 ASN A 68 -3.291 12.058 -7.890 1.00 53.15 N ATOM 0 H ASN A 68 -3.621 8.433 -7.822 1.00 74.31 H new ATOM 0 HA ASN A 68 -1.645 8.955 -9.862 1.00 53.12 H new ATOM 0 HB2 ASN A 68 -2.038 10.006 -7.028 1.00 71.34 H new ATOM 0 HB3 ASN A 68 -0.806 10.592 -8.128 1.00 71.34 H new ATOM 0 HD21 ASN A 68 -3.962 12.737 -8.249 1.00 53.15 H new ATOM 0 HD22 ASN A 68 -2.996 12.100 -6.915 1.00 53.15 H new ATOM 956 N ILE A 69 -0.341 6.846 -9.018 1.00 35.14 N ATOM 957 CA ILE A 69 0.783 5.950 -8.703 1.00 71.41 C ATOM 958 C ILE A 69 1.388 5.333 -9.980 1.00 61.53 C ATOM 959 O ILE A 69 2.588 5.447 -10.226 1.00 51.24 O ATOM 960 CB ILE A 69 0.364 4.817 -7.722 1.00 53.12 C ATOM 961 CG1 ILE A 69 -1.009 4.238 -8.102 1.00 12.41 C ATOM 962 CG2 ILE A 69 0.358 5.320 -6.277 1.00 61.31 C ATOM 963 CD1 ILE A 69 -1.435 3.067 -7.242 1.00 0.15 C ATOM 0 H ILE A 69 -0.885 6.558 -9.831 1.00 35.14 H new ATOM 0 HA ILE A 69 1.541 6.564 -8.216 1.00 71.41 H new ATOM 0 HB ILE A 69 1.101 4.018 -7.801 1.00 53.12 H new ATOM 0 HG12 ILE A 69 -1.759 5.025 -8.026 1.00 12.41 H new ATOM 0 HG13 ILE A 69 -0.984 3.921 -9.145 1.00 12.41 H new ATOM 0 HG21 ILE A 69 0.062 4.510 -5.611 1.00 61.31 H new ATOM 0 HG22 ILE A 69 1.356 5.665 -6.008 1.00 61.31 H new ATOM 0 HG23 ILE A 69 -0.349 6.144 -6.182 1.00 61.31 H new ATOM 0 HD11 ILE A 69 -2.412 2.712 -7.569 1.00 0.15 H new ATOM 0 HD12 ILE A 69 -0.706 2.262 -7.337 1.00 0.15 H new ATOM 0 HD13 ILE A 69 -1.493 3.383 -6.200 1.00 0.15 H new ATOM 975 N GLY A 70 0.556 4.684 -10.795 1.00 73.53 N ATOM 976 CA GLY A 70 1.039 4.100 -12.044 1.00 13.24 C ATOM 977 C GLY A 70 0.389 2.762 -12.377 1.00 23.12 C ATOM 978 O GLY A 70 0.754 1.726 -11.817 1.00 33.33 O ATOM 0 H GLY A 70 -0.439 4.551 -10.616 1.00 73.53 H new ATOM 0 HA2 GLY A 70 0.853 4.799 -12.859 1.00 13.24 H new ATOM 0 HA3 GLY A 70 2.119 3.965 -11.980 1.00 13.24 H new ATOM 982 N SER A 71 -0.568 2.778 -13.303 1.00 62.23 N ATOM 983 CA SER A 71 -1.257 1.552 -13.743 1.00 22.43 C ATOM 984 C SER A 71 -0.270 0.482 -14.238 1.00 52.22 C ATOM 985 O SER A 71 -0.543 -0.717 -14.144 1.00 10.24 O ATOM 986 CB SER A 71 -2.262 1.876 -14.858 1.00 51.24 C ATOM 987 OG SER A 71 -1.611 2.428 -15.998 1.00 71.45 O ATOM 0 H SER A 71 -0.889 3.627 -13.769 1.00 62.23 H new ATOM 0 HA SER A 71 -1.783 1.151 -12.877 1.00 22.43 H new ATOM 0 HB2 SER A 71 -2.795 0.969 -15.145 1.00 51.24 H new ATOM 0 HB3 SER A 71 -3.007 2.580 -14.486 1.00 51.24 H new ATOM 0 HG SER A 71 -2.275 2.623 -16.692 1.00 71.45 H new ATOM 993 N THR A 72 0.879 0.925 -14.748 1.00 32.15 N ATOM 994 CA THR A 72 1.895 0.015 -15.307 1.00 60.54 C ATOM 995 C THR A 72 2.476 -0.957 -14.262 1.00 55.52 C ATOM 996 O THR A 72 3.093 -1.961 -14.618 1.00 24.10 O ATOM 997 CB THR A 72 3.058 0.802 -15.954 1.00 4.21 C ATOM 998 OG1 THR A 72 3.980 -0.103 -16.580 1.00 63.34 O ATOM 999 CG2 THR A 72 3.796 1.655 -14.924 1.00 75.34 C ATOM 0 H THR A 72 1.136 1.911 -14.788 1.00 32.15 H new ATOM 0 HA THR A 72 1.374 -0.572 -16.064 1.00 60.54 H new ATOM 0 HB THR A 72 2.631 1.467 -16.705 1.00 4.21 H new ATOM 0 HG1 THR A 72 3.990 -0.951 -16.089 1.00 63.34 H new ATOM 0 HG21 THR A 72 4.607 2.195 -15.413 1.00 75.34 H new ATOM 0 HG22 THR A 72 3.103 2.368 -14.478 1.00 75.34 H new ATOM 0 HG23 THR A 72 4.206 1.012 -14.145 1.00 75.34 H new ATOM 1007 N TRP A 73 2.281 -0.661 -12.977 1.00 73.35 N ATOM 1008 CA TRP A 73 2.795 -1.521 -11.900 1.00 31.22 C ATOM 1009 C TRP A 73 2.173 -2.928 -11.963 1.00 2.11 C ATOM 1010 O TRP A 73 2.867 -3.935 -11.805 1.00 53.43 O ATOM 1011 CB TRP A 73 2.528 -0.878 -10.532 1.00 53.22 C ATOM 1012 CG TRP A 73 3.244 0.432 -10.329 1.00 63.23 C ATOM 1013 CD1 TRP A 73 4.042 1.084 -11.229 1.00 5.20 C ATOM 1014 CD2 TRP A 73 3.225 1.248 -9.151 1.00 33.25 C ATOM 1015 NE1 TRP A 73 4.520 2.246 -10.679 1.00 42.21 N ATOM 1016 CE2 TRP A 73 4.032 2.374 -9.408 1.00 1.23 C ATOM 1017 CE3 TRP A 73 2.602 1.141 -7.907 1.00 52.23 C ATOM 1018 CZ2 TRP A 73 4.234 3.375 -8.465 1.00 12.03 C ATOM 1019 CZ3 TRP A 73 2.804 2.136 -6.971 1.00 51.30 C ATOM 1020 CH2 TRP A 73 3.612 3.244 -7.257 1.00 15.20 C ATOM 0 H TRP A 73 1.774 0.163 -12.653 1.00 73.35 H new ATOM 0 HA TRP A 73 3.871 -1.625 -12.037 1.00 31.22 H new ATOM 0 HB2 TRP A 73 1.456 -0.717 -10.419 1.00 53.22 H new ATOM 0 HB3 TRP A 73 2.831 -1.573 -9.748 1.00 53.22 H new ATOM 0 HD1 TRP A 73 4.263 0.735 -12.227 1.00 5.20 H new ATOM 0 HE1 TRP A 73 5.140 2.909 -11.144 1.00 42.21 H new ATOM 0 HE3 TRP A 73 1.972 0.294 -7.680 1.00 52.23 H new ATOM 0 HZ2 TRP A 73 4.862 4.227 -8.681 1.00 12.03 H new ATOM 0 HZ3 TRP A 73 2.331 2.059 -6.003 1.00 51.30 H new ATOM 0 HH2 TRP A 73 3.745 4.010 -6.507 1.00 15.20 H new ATOM 1031 N GLY A 74 0.861 -2.985 -12.199 1.00 2.05 N ATOM 1032 CA GLY A 74 0.177 -4.263 -12.382 1.00 74.32 C ATOM 1033 C GLY A 74 0.139 -5.135 -11.130 1.00 12.44 C ATOM 1034 O GLY A 74 -0.758 -5.003 -10.297 1.00 65.00 O ATOM 0 H GLY A 74 0.256 -2.167 -12.267 1.00 2.05 H new ATOM 0 HA2 GLY A 74 -0.845 -4.072 -12.710 1.00 74.32 H new ATOM 0 HA3 GLY A 74 0.670 -4.816 -13.182 1.00 74.32 H new ATOM 1038 N ASN A 75 1.123 -6.024 -10.994 1.00 62.12 N ATOM 1039 CA ASN A 75 1.148 -6.999 -9.896 1.00 4.34 C ATOM 1040 C ASN A 75 1.633 -6.370 -8.582 1.00 43.44 C ATOM 1041 O ASN A 75 2.584 -5.589 -8.566 1.00 60.14 O ATOM 1042 CB ASN A 75 2.044 -8.187 -10.262 1.00 14.10 C ATOM 1043 CG ASN A 75 1.513 -8.968 -11.449 1.00 32.53 C ATOM 1044 OD1 ASN A 75 0.741 -9.907 -11.294 1.00 72.43 O ATOM 1045 ND2 ASN A 75 1.928 -8.596 -12.641 1.00 64.43 N ATOM 0 H ASN A 75 1.917 -6.091 -11.631 1.00 62.12 H new ATOM 0 HA ASN A 75 0.125 -7.344 -9.745 1.00 4.34 H new ATOM 0 HB2 ASN A 75 3.047 -7.826 -10.488 1.00 14.10 H new ATOM 0 HB3 ASN A 75 2.130 -8.852 -9.402 1.00 14.10 H new ATOM 0 HD21 ASN A 75 1.607 -9.094 -13.471 1.00 64.43 H new ATOM 0 HD22 ASN A 75 2.571 -7.810 -12.735 1.00 64.43 H new ATOM 1052 N ALA A 76 0.990 -6.749 -7.477 1.00 63.41 N ATOM 1053 CA ALA A 76 1.302 -6.193 -6.154 1.00 64.40 C ATOM 1054 C ALA A 76 2.757 -6.461 -5.735 1.00 50.43 C ATOM 1055 O ALA A 76 3.347 -5.688 -4.979 1.00 71.22 O ATOM 1056 CB ALA A 76 0.337 -6.756 -5.119 1.00 73.01 C ATOM 0 H ALA A 76 0.244 -7.444 -7.470 1.00 63.41 H new ATOM 0 HA ALA A 76 1.185 -5.111 -6.214 1.00 64.40 H new ATOM 0 HB1 ALA A 76 0.572 -6.341 -4.139 1.00 73.01 H new ATOM 0 HB2 ALA A 76 -0.684 -6.489 -5.391 1.00 73.01 H new ATOM 0 HB3 ALA A 76 0.432 -7.841 -5.086 1.00 73.01 H new ATOM 1062 N ASN A 77 3.334 -7.556 -6.227 1.00 24.51 N ATOM 1063 CA ASN A 77 4.738 -7.893 -5.949 1.00 1.22 C ATOM 1064 C ASN A 77 5.709 -6.891 -6.609 1.00 62.24 C ATOM 1065 O ASN A 77 6.878 -6.799 -6.231 1.00 62.33 O ATOM 1066 CB ASN A 77 5.040 -9.324 -6.427 1.00 72.52 C ATOM 1067 CG ASN A 77 4.744 -9.536 -7.905 1.00 72.23 C ATOM 1068 OD1 ASN A 77 4.861 -8.625 -8.716 1.00 11.20 O ATOM 1069 ND2 ASN A 77 4.356 -10.740 -8.266 1.00 12.25 N ATOM 0 H ASN A 77 2.853 -8.230 -6.823 1.00 24.51 H new ATOM 0 HA ASN A 77 4.889 -7.833 -4.871 1.00 1.22 H new ATOM 0 HB2 ASN A 77 6.089 -9.550 -6.237 1.00 72.52 H new ATOM 0 HB3 ASN A 77 4.451 -10.028 -5.840 1.00 72.52 H new ATOM 0 HD21 ASN A 77 4.143 -10.935 -9.244 1.00 12.25 H new ATOM 0 HD22 ASN A 77 4.268 -11.478 -7.568 1.00 12.25 H new ATOM 1076 N ASN A 78 5.209 -6.139 -7.586 1.00 73.14 N ATOM 1077 CA ASN A 78 6.024 -5.178 -8.340 1.00 41.54 C ATOM 1078 C ASN A 78 5.938 -3.754 -7.753 1.00 14.23 C ATOM 1079 O ASN A 78 6.921 -3.018 -7.769 1.00 2.23 O ATOM 1080 CB ASN A 78 5.558 -5.165 -9.804 1.00 51.43 C ATOM 1081 CG ASN A 78 6.358 -4.213 -10.677 1.00 31.45 C ATOM 1082 OD1 ASN A 78 7.545 -3.996 -10.461 1.00 50.43 O ATOM 1083 ND2 ASN A 78 5.710 -3.634 -11.669 1.00 45.12 N ATOM 0 H ASN A 78 4.233 -6.175 -7.880 1.00 73.14 H new ATOM 0 HA ASN A 78 7.065 -5.494 -8.273 1.00 41.54 H new ATOM 0 HB2 ASN A 78 5.634 -6.173 -10.212 1.00 51.43 H new ATOM 0 HB3 ASN A 78 4.505 -4.885 -9.841 1.00 51.43 H new ATOM 0 HD21 ASN A 78 6.197 -2.983 -12.285 1.00 45.12 H new ATOM 0 HD22 ASN A 78 4.722 -3.837 -11.820 1.00 45.12 H new ATOM 1090 N TRP A 79 4.765 -3.396 -7.221 1.00 73.34 N ATOM 1091 CA TRP A 79 4.456 -2.015 -6.776 1.00 75.10 C ATOM 1092 C TRP A 79 5.652 -1.255 -6.155 1.00 42.05 C ATOM 1093 O TRP A 79 6.098 -0.251 -6.710 1.00 34.34 O ATOM 1094 CB TRP A 79 3.268 -2.031 -5.800 1.00 4.14 C ATOM 1095 CG TRP A 79 1.936 -2.130 -6.494 1.00 51.51 C ATOM 1096 CD1 TRP A 79 1.613 -2.945 -7.540 1.00 3.42 C ATOM 1097 CD2 TRP A 79 0.754 -1.377 -6.195 1.00 53.43 C ATOM 1098 NE1 TRP A 79 0.305 -2.746 -7.910 1.00 33.02 N ATOM 1099 CE2 TRP A 79 -0.243 -1.787 -7.100 1.00 24.40 C ATOM 1100 CE3 TRP A 79 0.444 -0.394 -5.252 1.00 72.32 C ATOM 1101 CZ2 TRP A 79 -1.528 -1.250 -7.087 1.00 41.20 C ATOM 1102 CZ3 TRP A 79 -0.831 0.138 -5.240 1.00 74.15 C ATOM 1103 CH2 TRP A 79 -1.803 -0.290 -6.152 1.00 71.14 C ATOM 0 H TRP A 79 3.995 -4.050 -7.082 1.00 73.34 H new ATOM 0 HA TRP A 79 4.200 -1.462 -7.680 1.00 75.10 H new ATOM 0 HB2 TRP A 79 3.378 -2.873 -5.116 1.00 4.14 H new ATOM 0 HB3 TRP A 79 3.290 -1.124 -5.195 1.00 4.14 H new ATOM 0 HD1 TRP A 79 2.288 -3.645 -8.009 1.00 3.42 H new ATOM 0 HE1 TRP A 79 -0.179 -3.233 -8.665 1.00 33.02 H new ATOM 0 HE3 TRP A 79 1.187 -0.056 -4.545 1.00 72.32 H new ATOM 0 HZ2 TRP A 79 -2.280 -1.579 -7.789 1.00 41.20 H new ATOM 0 HZ3 TRP A 79 -1.082 0.897 -4.514 1.00 74.15 H new ATOM 0 HH2 TRP A 79 -2.790 0.147 -6.117 1.00 71.14 H new ATOM 1114 N ALA A 80 6.167 -1.718 -5.016 1.00 53.14 N ATOM 1115 CA ALA A 80 7.273 -1.017 -4.335 1.00 74.22 C ATOM 1116 C ALA A 80 8.522 -0.872 -5.227 1.00 40.12 C ATOM 1117 O ALA A 80 9.191 0.167 -5.213 1.00 71.43 O ATOM 1118 CB ALA A 80 7.636 -1.731 -3.042 1.00 64.43 C ATOM 0 H ALA A 80 5.846 -2.564 -4.545 1.00 53.14 H new ATOM 0 HA ALA A 80 6.919 -0.011 -4.110 1.00 74.22 H new ATOM 0 HB1 ALA A 80 8.453 -1.202 -2.551 1.00 64.43 H new ATOM 0 HB2 ALA A 80 6.769 -1.752 -2.382 1.00 64.43 H new ATOM 0 HB3 ALA A 80 7.947 -2.752 -3.265 1.00 64.43 H new ATOM 1124 N SER A 81 8.834 -1.913 -5.997 1.00 20.14 N ATOM 1125 CA SER A 81 9.999 -1.898 -6.895 1.00 62.13 C ATOM 1126 C SER A 81 9.801 -0.907 -8.050 1.00 21.35 C ATOM 1127 O SER A 81 10.700 -0.139 -8.389 1.00 22.23 O ATOM 1128 CB SER A 81 10.254 -3.300 -7.461 1.00 52.50 C ATOM 1129 OG SER A 81 10.487 -4.244 -6.426 1.00 75.10 O ATOM 0 H SER A 81 8.299 -2.781 -6.021 1.00 20.14 H new ATOM 0 HA SER A 81 10.862 -1.579 -6.310 1.00 62.13 H new ATOM 0 HB2 SER A 81 9.397 -3.615 -8.056 1.00 52.50 H new ATOM 0 HB3 SER A 81 11.114 -3.273 -8.130 1.00 52.50 H new ATOM 0 HG SER A 81 10.644 -5.128 -6.819 1.00 75.10 H new ATOM 1135 N ALA A 82 8.611 -0.929 -8.646 1.00 20.01 N ATOM 1136 CA ALA A 82 8.277 -0.026 -9.750 1.00 33.22 C ATOM 1137 C ALA A 82 8.203 1.431 -9.268 1.00 54.31 C ATOM 1138 O ALA A 82 8.612 2.354 -9.973 1.00 45.33 O ATOM 1139 CB ALA A 82 6.960 -0.447 -10.397 1.00 75.12 C ATOM 0 H ALA A 82 7.858 -1.564 -8.383 1.00 20.01 H new ATOM 0 HA ALA A 82 9.069 -0.091 -10.496 1.00 33.22 H new ATOM 0 HB1 ALA A 82 6.723 0.232 -11.216 1.00 75.12 H new ATOM 0 HB2 ALA A 82 7.052 -1.462 -10.783 1.00 75.12 H new ATOM 0 HB3 ALA A 82 6.162 -0.412 -9.655 1.00 75.12 H new ATOM 1145 N ALA A 83 7.680 1.621 -8.054 1.00 4.11 N ATOM 1146 CA ALA A 83 7.626 2.942 -7.419 1.00 63.14 C ATOM 1147 C ALA A 83 9.030 3.530 -7.249 1.00 30.10 C ATOM 1148 O ALA A 83 9.343 4.594 -7.789 1.00 20.25 O ATOM 1149 CB ALA A 83 6.925 2.842 -6.068 1.00 42.14 C ATOM 0 H ALA A 83 7.285 0.871 -7.487 1.00 4.11 H new ATOM 0 HA ALA A 83 7.059 3.611 -8.066 1.00 63.14 H new ATOM 0 HB1 ALA A 83 6.889 3.827 -5.603 1.00 42.14 H new ATOM 0 HB2 ALA A 83 5.910 2.471 -6.211 1.00 42.14 H new ATOM 0 HB3 ALA A 83 7.474 2.156 -5.423 1.00 42.14 H new ATOM 1155 N SER A 84 9.880 2.820 -6.511 1.00 22.44 N ATOM 1156 CA SER A 84 11.261 3.268 -6.269 1.00 55.21 C ATOM 1157 C SER A 84 12.030 3.460 -7.583 1.00 41.41 C ATOM 1158 O SER A 84 12.904 4.324 -7.684 1.00 33.12 O ATOM 1159 CB SER A 84 12.004 2.266 -5.378 1.00 62.14 C ATOM 1160 OG SER A 84 12.042 0.979 -5.972 1.00 72.12 O ATOM 0 H SER A 84 9.643 1.932 -6.068 1.00 22.44 H new ATOM 0 HA SER A 84 11.206 4.231 -5.761 1.00 55.21 H new ATOM 0 HB2 SER A 84 13.020 2.617 -5.201 1.00 62.14 H new ATOM 0 HB3 SER A 84 11.513 2.206 -4.406 1.00 62.14 H new ATOM 0 HG SER A 84 11.177 0.536 -5.848 1.00 72.12 H new ATOM 1166 N SER A 85 11.706 2.647 -8.587 1.00 44.12 N ATOM 1167 CA SER A 85 12.323 2.760 -9.919 1.00 2.01 C ATOM 1168 C SER A 85 11.818 3.988 -10.691 1.00 33.41 C ATOM 1169 O SER A 85 12.599 4.686 -11.338 1.00 33.15 O ATOM 1170 CB SER A 85 12.047 1.498 -10.744 1.00 24.53 C ATOM 1171 OG SER A 85 12.568 1.619 -12.060 1.00 4.13 O ATOM 0 H SER A 85 11.018 1.898 -8.508 1.00 44.12 H new ATOM 0 HA SER A 85 13.395 2.876 -9.762 1.00 2.01 H new ATOM 0 HB2 SER A 85 12.493 0.634 -10.252 1.00 24.53 H new ATOM 0 HB3 SER A 85 10.973 1.319 -10.791 1.00 24.53 H new ATOM 0 HG SER A 85 12.379 0.800 -12.563 1.00 4.13 H new ATOM 1177 N ALA A 86 10.514 4.252 -10.623 1.00 4.55 N ATOM 1178 CA ALA A 86 9.897 5.350 -11.384 1.00 54.01 C ATOM 1179 C ALA A 86 10.169 6.732 -10.758 1.00 21.31 C ATOM 1180 O ALA A 86 9.846 7.766 -11.351 1.00 2.24 O ATOM 1181 CB ALA A 86 8.396 5.114 -11.512 1.00 21.25 C ATOM 0 H ALA A 86 9.859 3.722 -10.049 1.00 4.55 H new ATOM 0 HA ALA A 86 10.355 5.355 -12.373 1.00 54.01 H new ATOM 0 HB1 ALA A 86 7.946 5.931 -12.076 1.00 21.25 H new ATOM 0 HB2 ALA A 86 8.219 4.173 -12.032 1.00 21.25 H new ATOM 0 HB3 ALA A 86 7.949 5.070 -10.519 1.00 21.25 H new ATOM 1187 N GLY A 87 10.752 6.745 -9.560 1.00 2.32 N ATOM 1188 CA GLY A 87 11.086 8.008 -8.899 1.00 42.22 C ATOM 1189 C GLY A 87 10.226 8.297 -7.671 1.00 43.35 C ATOM 1190 O GLY A 87 10.298 9.384 -7.098 1.00 43.31 O ATOM 0 H GLY A 87 11.000 5.908 -9.032 1.00 2.32 H new ATOM 0 HA2 GLY A 87 12.135 7.988 -8.602 1.00 42.22 H new ATOM 0 HA3 GLY A 87 10.973 8.824 -9.613 1.00 42.22 H new ATOM 1194 N TYR A 88 9.409 7.324 -7.268 1.00 31.12 N ATOM 1195 CA TYR A 88 8.561 7.467 -6.079 1.00 33.51 C ATOM 1196 C TYR A 88 9.347 7.208 -4.785 1.00 44.02 C ATOM 1197 O TYR A 88 10.464 6.688 -4.805 1.00 62.25 O ATOM 1198 CB TYR A 88 7.355 6.520 -6.157 1.00 65.14 C ATOM 1199 CG TYR A 88 6.347 6.902 -7.220 1.00 3.33 C ATOM 1200 CD1 TYR A 88 6.530 6.541 -8.551 1.00 1.31 C ATOM 1201 CD2 TYR A 88 5.211 7.631 -6.890 1.00 74.43 C ATOM 1202 CE1 TYR A 88 5.611 6.899 -9.518 1.00 20.51 C ATOM 1203 CE2 TYR A 88 4.291 7.994 -7.850 1.00 60.35 C ATOM 1204 CZ TYR A 88 4.495 7.625 -9.161 1.00 62.42 C ATOM 1205 OH TYR A 88 3.580 7.994 -10.120 1.00 15.23 O ATOM 0 H TYR A 88 9.315 6.428 -7.746 1.00 31.12 H new ATOM 0 HA TYR A 88 8.206 8.497 -6.057 1.00 33.51 H new ATOM 0 HB2 TYR A 88 7.711 5.509 -6.354 1.00 65.14 H new ATOM 0 HB3 TYR A 88 6.857 6.500 -5.188 1.00 65.14 H new ATOM 0 HD1 TYR A 88 7.404 5.972 -8.832 1.00 1.31 H new ATOM 0 HD2 TYR A 88 5.046 7.919 -5.862 1.00 74.43 H new ATOM 0 HE1 TYR A 88 5.766 6.612 -10.548 1.00 20.51 H new ATOM 0 HE2 TYR A 88 3.416 8.564 -7.576 1.00 60.35 H new ATOM 0 HH TYR A 88 3.061 7.210 -10.396 1.00 15.23 H new ATOM 1215 N THR A 89 8.735 7.549 -3.660 1.00 41.40 N ATOM 1216 CA THR A 89 9.391 7.456 -2.349 1.00 44.31 C ATOM 1217 C THR A 89 8.877 6.255 -1.545 1.00 42.21 C ATOM 1218 O THR A 89 7.789 6.296 -0.974 1.00 20.34 O ATOM 1219 CB THR A 89 9.181 8.757 -1.534 1.00 20.50 C ATOM 1220 OG1 THR A 89 9.902 9.843 -2.138 1.00 51.31 O ATOM 1221 CG2 THR A 89 9.628 8.598 -0.088 1.00 52.33 C ATOM 0 H THR A 89 7.777 7.896 -3.622 1.00 41.40 H new ATOM 0 HA THR A 89 10.456 7.317 -2.532 1.00 44.31 H new ATOM 0 HB THR A 89 8.113 8.973 -1.538 1.00 20.50 H new ATOM 0 HG1 THR A 89 9.761 10.660 -1.616 1.00 51.31 H new ATOM 0 HG21 THR A 89 9.464 9.533 0.448 1.00 52.33 H new ATOM 0 HG22 THR A 89 9.053 7.802 0.385 1.00 52.33 H new ATOM 0 HG23 THR A 89 10.688 8.345 -0.061 1.00 52.33 H new ATOM 1229 N VAL A 90 9.663 5.185 -1.507 1.00 31.21 N ATOM 1230 CA VAL A 90 9.289 3.972 -0.772 1.00 14.33 C ATOM 1231 C VAL A 90 10.114 3.820 0.517 1.00 61.54 C ATOM 1232 O VAL A 90 11.319 3.579 0.474 1.00 55.25 O ATOM 1233 CB VAL A 90 9.474 2.704 -1.647 1.00 22.12 C ATOM 1234 CG1 VAL A 90 9.023 1.447 -0.899 1.00 44.45 C ATOM 1235 CG2 VAL A 90 8.725 2.846 -2.971 1.00 4.55 C ATOM 0 H VAL A 90 10.567 5.128 -1.977 1.00 31.21 H new ATOM 0 HA VAL A 90 8.236 4.075 -0.510 1.00 14.33 H new ATOM 0 HB VAL A 90 10.537 2.599 -1.866 1.00 22.12 H new ATOM 0 HG11 VAL A 90 9.164 0.574 -1.536 1.00 44.45 H new ATOM 0 HG12 VAL A 90 9.614 1.332 0.009 1.00 44.45 H new ATOM 0 HG13 VAL A 90 7.969 1.538 -0.637 1.00 44.45 H new ATOM 0 HG21 VAL A 90 8.868 1.946 -3.569 1.00 4.55 H new ATOM 0 HG22 VAL A 90 7.662 2.986 -2.775 1.00 4.55 H new ATOM 0 HG23 VAL A 90 9.109 3.708 -3.516 1.00 4.55 H new ATOM 1245 N ASN A 91 9.450 3.971 1.662 1.00 72.13 N ATOM 1246 CA ASN A 91 10.091 3.774 2.972 1.00 55.35 C ATOM 1247 C ASN A 91 9.220 2.884 3.863 1.00 73.10 C ATOM 1248 O ASN A 91 7.991 2.917 3.772 1.00 15.31 O ATOM 1249 CB ASN A 91 10.344 5.110 3.691 1.00 74.25 C ATOM 1250 CG ASN A 91 11.253 6.046 2.915 1.00 24.35 C ATOM 1251 OD1 ASN A 91 10.677 7.040 2.276 1.00 3.01 O flip ATOM 1252 ND2 ASN A 91 12.470 5.905 2.928 1.00 65.50 N flip ATOM 0 H ASN A 91 8.465 4.230 1.714 1.00 72.13 H new ATOM 0 HA ASN A 91 11.052 3.292 2.790 1.00 55.35 H new ATOM 0 HB2 ASN A 91 9.390 5.606 3.868 1.00 74.25 H new ATOM 0 HB3 ASN A 91 10.786 4.911 4.667 1.00 74.25 H new ATOM 0 HD21 ASN A 91 12.887 5.123 3.433 1.00 65.50 H new ATOM 0 HD22 ASN A 91 13.066 6.569 2.434 1.00 65.50 H new ATOM 1259 N ASN A 92 9.854 2.118 4.749 1.00 32.14 N ATOM 1260 CA ASN A 92 9.134 1.198 5.645 1.00 14.13 C ATOM 1261 C ASN A 92 8.437 1.939 6.804 1.00 4.00 C ATOM 1262 O ASN A 92 7.973 1.317 7.758 1.00 62.31 O ATOM 1263 CB ASN A 92 10.102 0.146 6.202 1.00 60.23 C ATOM 1264 CG ASN A 92 10.684 -0.730 5.109 1.00 5.40 C ATOM 1265 OD1 ASN A 92 11.719 -0.421 4.529 1.00 24.43 O ATOM 1266 ND2 ASN A 92 10.025 -1.830 4.818 1.00 34.32 N ATOM 0 H ASN A 92 10.867 2.112 4.870 1.00 32.14 H new ATOM 0 HA ASN A 92 8.357 0.710 5.057 1.00 14.13 H new ATOM 0 HB2 ASN A 92 10.911 0.645 6.735 1.00 60.23 H new ATOM 0 HB3 ASN A 92 9.580 -0.479 6.927 1.00 60.23 H new ATOM 0 HD21 ASN A 92 10.372 -2.455 4.091 1.00 34.32 H new ATOM 0 HD22 ASN A 92 9.167 -2.058 5.320 1.00 34.32 H new ATOM 1273 N SER A 93 8.358 3.264 6.706 1.00 33.30 N ATOM 1274 CA SER A 93 7.674 4.080 7.718 1.00 0.01 C ATOM 1275 C SER A 93 6.148 3.932 7.614 1.00 44.52 C ATOM 1276 O SER A 93 5.552 4.301 6.593 1.00 44.14 O ATOM 1277 CB SER A 93 8.050 5.560 7.555 1.00 52.34 C ATOM 1278 OG SER A 93 7.503 6.351 8.601 1.00 34.43 O ATOM 0 H SER A 93 8.758 3.800 5.936 1.00 33.30 H new ATOM 0 HA SER A 93 7.995 3.726 8.698 1.00 0.01 H new ATOM 0 HB2 SER A 93 9.135 5.663 7.548 1.00 52.34 H new ATOM 0 HB3 SER A 93 7.689 5.925 6.593 1.00 52.34 H new ATOM 0 HG SER A 93 7.760 7.288 8.472 1.00 34.43 H new ATOM 1284 N PRO A 94 5.489 3.396 8.662 1.00 74.02 N ATOM 1285 CA PRO A 94 4.027 3.245 8.679 1.00 51.51 C ATOM 1286 C PRO A 94 3.308 4.601 8.782 1.00 72.23 C ATOM 1287 O PRO A 94 3.267 5.227 9.842 1.00 4.14 O ATOM 1288 CB PRO A 94 3.773 2.381 9.922 1.00 73.11 C ATOM 1289 CG PRO A 94 4.936 2.649 10.816 1.00 44.31 C ATOM 1290 CD PRO A 94 6.110 2.902 9.906 1.00 40.45 C ATOM 0 HA PRO A 94 3.643 2.798 7.762 1.00 51.51 H new ATOM 0 HB2 PRO A 94 2.833 2.649 10.405 1.00 73.11 H new ATOM 0 HB3 PRO A 94 3.708 1.324 9.663 1.00 73.11 H new ATOM 0 HG2 PRO A 94 4.746 3.511 11.456 1.00 44.31 H new ATOM 0 HG3 PRO A 94 5.127 1.800 11.473 1.00 44.31 H new ATOM 0 HD2 PRO A 94 6.795 3.636 10.331 1.00 40.45 H new ATOM 0 HD3 PRO A 94 6.685 1.993 9.733 1.00 40.45 H new ATOM 1298 N GLU A 95 2.755 5.054 7.664 1.00 41.24 N ATOM 1299 CA GLU A 95 2.146 6.386 7.576 1.00 51.21 C ATOM 1300 C GLU A 95 0.744 6.330 6.944 1.00 3.41 C ATOM 1301 O GLU A 95 0.527 5.638 5.949 1.00 71.44 O ATOM 1302 CB GLU A 95 3.071 7.294 6.757 1.00 32.54 C ATOM 1303 CG GLU A 95 2.588 8.732 6.599 1.00 60.23 C ATOM 1304 CD GLU A 95 3.565 9.575 5.797 1.00 53.54 C ATOM 1305 OE1 GLU A 95 3.564 9.473 4.555 1.00 33.53 O ATOM 1306 OE2 GLU A 95 4.355 10.324 6.409 1.00 33.23 O ATOM 0 H GLU A 95 2.713 4.518 6.797 1.00 41.24 H new ATOM 0 HA GLU A 95 2.024 6.786 8.582 1.00 51.21 H new ATOM 0 HB2 GLU A 95 4.054 7.306 7.229 1.00 32.54 H new ATOM 0 HB3 GLU A 95 3.198 6.858 5.766 1.00 32.54 H new ATOM 0 HG2 GLU A 95 1.616 8.736 6.106 1.00 60.23 H new ATOM 0 HG3 GLU A 95 2.448 9.178 7.584 1.00 60.23 H new ATOM 1313 N ALA A 96 -0.203 7.063 7.529 1.00 4.13 N ATOM 1314 CA ALA A 96 -1.577 7.112 7.011 1.00 32.51 C ATOM 1315 C ALA A 96 -1.631 7.807 5.638 1.00 32.14 C ATOM 1316 O ALA A 96 -1.247 8.972 5.506 1.00 13.13 O ATOM 1317 CB ALA A 96 -2.493 7.820 8.007 1.00 1.35 C ATOM 0 H ALA A 96 -0.048 7.632 8.361 1.00 4.13 H new ATOM 0 HA ALA A 96 -1.926 6.088 6.880 1.00 32.51 H new ATOM 0 HB1 ALA A 96 -3.508 7.849 7.611 1.00 1.35 H new ATOM 0 HB2 ALA A 96 -2.489 7.279 8.953 1.00 1.35 H new ATOM 0 HB3 ALA A 96 -2.137 8.838 8.169 1.00 1.35 H new ATOM 1323 N GLY A 97 -2.115 7.089 4.625 1.00 0.34 N ATOM 1324 CA GLY A 97 -2.152 7.627 3.263 1.00 64.41 C ATOM 1325 C GLY A 97 -1.105 7.005 2.340 1.00 35.45 C ATOM 1326 O GLY A 97 -0.819 7.535 1.266 1.00 53.42 O ATOM 0 H GLY A 97 -2.484 6.143 4.718 1.00 0.34 H new ATOM 0 HA2 GLY A 97 -3.143 7.461 2.841 1.00 64.41 H new ATOM 0 HA3 GLY A 97 -1.998 8.705 3.301 1.00 64.41 H new ATOM 1330 N SER A 98 -0.530 5.879 2.757 1.00 2.44 N ATOM 1331 CA SER A 98 0.463 5.165 1.942 1.00 13.04 C ATOM 1332 C SER A 98 -0.007 3.739 1.640 1.00 30.04 C ATOM 1333 O SER A 98 -1.000 3.268 2.200 1.00 52.22 O ATOM 1334 CB SER A 98 1.826 5.118 2.653 1.00 61.54 C ATOM 1335 OG SER A 98 1.776 4.320 3.826 1.00 61.51 O ATOM 0 H SER A 98 -0.732 5.437 3.654 1.00 2.44 H new ATOM 0 HA SER A 98 0.573 5.709 1.004 1.00 13.04 H new ATOM 0 HB2 SER A 98 2.578 4.719 1.973 1.00 61.54 H new ATOM 0 HB3 SER A 98 2.136 6.130 2.914 1.00 61.54 H new ATOM 0 HG SER A 98 1.333 4.820 4.543 1.00 61.51 H new ATOM 1341 N ILE A 99 0.701 3.055 0.745 1.00 75.23 N ATOM 1342 CA ILE A 99 0.364 1.673 0.382 1.00 55.21 C ATOM 1343 C ILE A 99 1.462 0.706 0.848 1.00 2.02 C ATOM 1344 O ILE A 99 2.625 0.864 0.482 1.00 42.05 O ATOM 1345 CB ILE A 99 0.166 1.507 -1.153 1.00 15.04 C ATOM 1346 CG1 ILE A 99 -0.875 2.509 -1.695 1.00 60.23 C ATOM 1347 CG2 ILE A 99 -0.244 0.069 -1.484 1.00 43.23 C ATOM 1348 CD1 ILE A 99 -0.332 3.909 -1.921 1.00 2.14 C ATOM 0 H ILE A 99 1.513 3.432 0.255 1.00 75.23 H new ATOM 0 HA ILE A 99 -0.575 1.437 0.882 1.00 55.21 H new ATOM 0 HB ILE A 99 1.117 1.720 -1.641 1.00 15.04 H new ATOM 0 HG12 ILE A 99 -1.273 2.129 -2.636 1.00 60.23 H new ATOM 0 HG13 ILE A 99 -1.709 2.563 -0.995 1.00 60.23 H new ATOM 0 HG21 ILE A 99 -0.379 -0.032 -2.561 1.00 43.23 H new ATOM 0 HG22 ILE A 99 0.534 -0.617 -1.150 1.00 43.23 H new ATOM 0 HG23 ILE A 99 -1.179 -0.168 -0.977 1.00 43.23 H new ATOM 0 HD11 ILE A 99 -1.127 4.550 -2.302 1.00 2.14 H new ATOM 0 HD12 ILE A 99 0.039 4.312 -0.979 1.00 2.14 H new ATOM 0 HD13 ILE A 99 0.482 3.871 -2.645 1.00 2.14 H new ATOM 1360 N LEU A 100 1.099 -0.287 1.655 1.00 62.24 N ATOM 1361 CA LEU A 100 2.083 -1.268 2.139 1.00 71.03 C ATOM 1362 C LEU A 100 2.123 -2.509 1.233 1.00 63.54 C ATOM 1363 O LEU A 100 1.083 -3.054 0.853 1.00 51.13 O ATOM 1364 CB LEU A 100 1.808 -1.674 3.605 1.00 15.32 C ATOM 1365 CG LEU A 100 0.656 -2.670 3.856 1.00 51.25 C ATOM 1366 CD1 LEU A 100 0.588 -3.050 5.332 1.00 11.42 C ATOM 1367 CD2 LEU A 100 -0.684 -2.104 3.401 1.00 54.34 C ATOM 0 H LEU A 100 0.147 -0.438 1.987 1.00 62.24 H new ATOM 0 HA LEU A 100 3.061 -0.788 2.103 1.00 71.03 H new ATOM 0 HB2 LEU A 100 2.722 -2.105 4.014 1.00 15.32 H new ATOM 0 HB3 LEU A 100 1.601 -0.767 4.174 1.00 15.32 H new ATOM 0 HG LEU A 100 0.862 -3.563 3.267 1.00 51.25 H new ATOM 0 HD11 LEU A 100 -0.230 -3.753 5.489 1.00 11.42 H new ATOM 0 HD12 LEU A 100 1.528 -3.514 5.632 1.00 11.42 H new ATOM 0 HD13 LEU A 100 0.418 -2.155 5.931 1.00 11.42 H new ATOM 0 HD21 LEU A 100 -1.471 -2.833 3.593 1.00 54.34 H new ATOM 0 HD22 LEU A 100 -0.897 -1.187 3.950 1.00 54.34 H new ATOM 0 HD23 LEU A 100 -0.644 -1.887 2.334 1.00 54.34 H new ATOM 1379 N GLN A 101 3.329 -2.938 0.875 1.00 15.32 N ATOM 1380 CA GLN A 101 3.511 -4.117 0.025 1.00 25.25 C ATOM 1381 C GLN A 101 3.735 -5.382 0.871 1.00 1.53 C ATOM 1382 O GLN A 101 4.759 -5.517 1.541 1.00 34.53 O ATOM 1383 CB GLN A 101 4.702 -3.909 -0.921 1.00 72.21 C ATOM 1384 CG GLN A 101 4.778 -4.936 -2.044 1.00 11.34 C ATOM 1385 CD GLN A 101 6.091 -4.890 -2.807 1.00 21.14 C ATOM 1386 OE1 GLN A 101 7.139 -4.590 -2.252 1.00 41.30 O ATOM 1387 NE2 GLN A 101 6.040 -5.166 -4.093 1.00 43.44 N ATOM 0 H GLN A 101 4.199 -2.488 1.159 1.00 15.32 H new ATOM 0 HA GLN A 101 2.602 -4.252 -0.561 1.00 25.25 H new ATOM 0 HB2 GLN A 101 4.639 -2.912 -1.356 1.00 72.21 H new ATOM 0 HB3 GLN A 101 5.625 -3.947 -0.343 1.00 72.21 H new ATOM 0 HG2 GLN A 101 4.643 -5.933 -1.626 1.00 11.34 H new ATOM 0 HG3 GLN A 101 3.955 -4.767 -2.739 1.00 11.34 H new ATOM 0 HE21 GLN A 101 5.150 -5.413 -4.527 1.00 43.44 H new ATOM 0 HE22 GLN A 101 6.890 -5.133 -4.656 1.00 43.44 H new ATOM 1396 N SER A 102 2.770 -6.298 0.842 1.00 20.00 N ATOM 1397 CA SER A 102 2.855 -7.556 1.607 1.00 13.54 C ATOM 1398 C SER A 102 3.433 -8.710 0.770 1.00 10.33 C ATOM 1399 O SER A 102 3.833 -9.733 1.320 1.00 62.31 O ATOM 1400 CB SER A 102 1.466 -7.956 2.128 1.00 74.21 C ATOM 1401 OG SER A 102 0.889 -6.928 2.917 1.00 25.41 O ATOM 0 H SER A 102 1.914 -6.199 0.297 1.00 20.00 H new ATOM 0 HA SER A 102 3.531 -7.374 2.442 1.00 13.54 H new ATOM 0 HB2 SER A 102 0.811 -8.180 1.286 1.00 74.21 H new ATOM 0 HB3 SER A 102 1.547 -8.868 2.720 1.00 74.21 H new ATOM 0 HG SER A 102 1.408 -6.818 3.741 1.00 25.41 H new ATOM 1466 N GLY A 108 1.147 -11.277 -5.133 1.00 24.24 N ATOM 1467 CA GLY A 108 1.434 -10.377 -4.028 1.00 13.44 C ATOM 1468 C GLY A 108 0.182 -9.750 -3.418 1.00 73.01 C ATOM 1469 O GLY A 108 -0.931 -9.957 -3.903 1.00 33.01 O ATOM 0 HA2 GLY A 108 1.972 -10.924 -3.254 1.00 13.44 H new ATOM 0 HA3 GLY A 108 2.096 -9.584 -4.377 1.00 13.44 H new ATOM 1473 N HIS A 109 0.370 -8.971 -2.356 1.00 1.44 N ATOM 1474 CA HIS A 109 -0.742 -8.283 -1.689 1.00 73.32 C ATOM 1475 C HIS A 109 -0.373 -6.829 -1.359 1.00 71.34 C ATOM 1476 O HIS A 109 0.768 -6.535 -1.008 1.00 44.43 O ATOM 1477 CB HIS A 109 -1.140 -9.029 -0.407 1.00 34.32 C ATOM 1478 CG HIS A 109 -2.224 -8.343 0.371 1.00 43.24 C ATOM 1479 ND1 HIS A 109 -3.374 -7.914 -0.243 1.00 5.03 N ATOM 1480 CD2 HIS A 109 -2.273 -8.011 1.686 1.00 43.41 C ATOM 1481 CE1 HIS A 109 -4.092 -7.332 0.703 1.00 53.12 C ATOM 1482 NE2 HIS A 109 -3.465 -7.366 1.887 1.00 42.41 N ATOM 0 H HIS A 109 1.283 -8.797 -1.935 1.00 1.44 H new ATOM 0 HA HIS A 109 -1.591 -8.274 -2.373 1.00 73.32 H new ATOM 0 HB2 HIS A 109 -1.471 -10.034 -0.669 1.00 34.32 H new ATOM 0 HB3 HIS A 109 -0.261 -9.138 0.228 1.00 34.32 H new ATOM 0 HD1 HIS A 109 -3.623 -8.022 -1.226 1.00 5.03 H new ATOM 0 HD2 HIS A 109 -1.518 -8.216 2.431 1.00 43.41 H new ATOM 0 HE1 HIS A 109 -5.062 -6.885 0.542 1.00 53.12 H new ATOM 0 HE2 HIS A 109 -3.809 -6.985 2.768 1.00 42.41 H new ATOM 1490 N VAL A 110 -1.351 -5.933 -1.492 1.00 20.12 N ATOM 1491 CA VAL A 110 -1.187 -4.509 -1.158 1.00 21.31 C ATOM 1492 C VAL A 110 -2.504 -3.930 -0.622 1.00 60.12 C ATOM 1493 O VAL A 110 -3.588 -4.334 -1.048 1.00 41.13 O ATOM 1494 CB VAL A 110 -0.730 -3.657 -2.380 1.00 53.04 C ATOM 1495 CG1 VAL A 110 0.728 -3.943 -2.743 1.00 64.34 C ATOM 1496 CG2 VAL A 110 -1.646 -3.891 -3.583 1.00 4.11 C ATOM 0 H VAL A 110 -2.282 -6.169 -1.834 1.00 20.12 H new ATOM 0 HA VAL A 110 -0.409 -4.459 -0.396 1.00 21.31 H new ATOM 0 HB VAL A 110 -0.803 -2.607 -2.097 1.00 53.04 H new ATOM 0 HG11 VAL A 110 1.016 -3.333 -3.599 1.00 64.34 H new ATOM 0 HG12 VAL A 110 1.368 -3.703 -1.894 1.00 64.34 H new ATOM 0 HG13 VAL A 110 0.840 -4.998 -2.995 1.00 64.34 H new ATOM 0 HG21 VAL A 110 -1.306 -3.285 -4.423 1.00 4.11 H new ATOM 0 HG22 VAL A 110 -1.619 -4.945 -3.861 1.00 4.11 H new ATOM 0 HG23 VAL A 110 -2.667 -3.610 -3.323 1.00 4.11 H new ATOM 1506 N ALA A 111 -2.404 -2.990 0.311 1.00 61.40 N ATOM 1507 CA ALA A 111 -3.588 -2.344 0.891 1.00 0.32 C ATOM 1508 C ALA A 111 -3.330 -0.859 1.184 1.00 43.33 C ATOM 1509 O ALA A 111 -2.178 -0.415 1.253 1.00 34.51 O ATOM 1510 CB ALA A 111 -4.028 -3.076 2.157 1.00 54.14 C ATOM 0 H ALA A 111 -1.517 -2.654 0.686 1.00 61.40 H new ATOM 0 HA ALA A 111 -4.393 -2.400 0.158 1.00 0.32 H new ATOM 0 HB1 ALA A 111 -4.907 -2.585 2.575 1.00 54.14 H new ATOM 0 HB2 ALA A 111 -4.272 -4.110 1.913 1.00 54.14 H new ATOM 0 HB3 ALA A 111 -3.220 -3.057 2.888 1.00 54.14 H new ATOM 1516 N TYR A 112 -4.404 -0.088 1.350 1.00 3.40 N ATOM 1517 CA TYR A 112 -4.287 1.345 1.640 1.00 24.01 C ATOM 1518 C TYR A 112 -4.318 1.606 3.153 1.00 50.51 C ATOM 1519 O TYR A 112 -5.258 1.213 3.844 1.00 0.40 O ATOM 1520 CB TYR A 112 -5.410 2.127 0.940 1.00 4.22 C ATOM 1521 CG TYR A 112 -5.333 3.633 1.144 1.00 72.23 C ATOM 1522 CD1 TYR A 112 -4.454 4.414 0.399 1.00 0.40 C ATOM 1523 CD2 TYR A 112 -6.141 4.272 2.081 1.00 45.13 C ATOM 1524 CE1 TYR A 112 -4.381 5.782 0.585 1.00 72.11 C ATOM 1525 CE2 TYR A 112 -6.073 5.639 2.268 1.00 33.20 C ATOM 1526 CZ TYR A 112 -5.193 6.389 1.520 1.00 12.41 C ATOM 1527 OH TYR A 112 -5.124 7.752 1.710 1.00 24.44 O ATOM 0 H TYR A 112 -5.364 -0.428 1.289 1.00 3.40 H new ATOM 0 HA TYR A 112 -3.327 1.690 1.256 1.00 24.01 H new ATOM 0 HB2 TYR A 112 -5.377 1.913 -0.128 1.00 4.22 H new ATOM 0 HB3 TYR A 112 -6.372 1.769 1.307 1.00 4.22 H new ATOM 0 HD1 TYR A 112 -3.818 3.943 -0.337 1.00 0.40 H new ATOM 0 HD2 TYR A 112 -6.832 3.689 2.671 1.00 45.13 H new ATOM 0 HE1 TYR A 112 -3.691 6.373 0.001 1.00 72.11 H new ATOM 0 HE2 TYR A 112 -6.708 6.118 2.999 1.00 33.20 H new ATOM 0 HH TYR A 112 -5.763 8.018 2.404 1.00 24.44 H new ATOM 1537 N VAL A 113 -3.283 2.268 3.662 1.00 73.02 N ATOM 1538 CA VAL A 113 -3.192 2.568 5.092 1.00 10.30 C ATOM 1539 C VAL A 113 -4.196 3.656 5.516 1.00 55.40 C ATOM 1540 O VAL A 113 -4.015 4.841 5.214 1.00 13.44 O ATOM 1541 CB VAL A 113 -1.759 3.013 5.486 1.00 3.35 C ATOM 1542 CG1 VAL A 113 -1.683 3.334 6.979 1.00 14.23 C ATOM 1543 CG2 VAL A 113 -0.741 1.938 5.105 1.00 31.31 C ATOM 0 H VAL A 113 -2.496 2.607 3.109 1.00 73.02 H new ATOM 0 HA VAL A 113 -3.438 1.644 5.616 1.00 10.30 H new ATOM 0 HB VAL A 113 -1.517 3.922 4.935 1.00 3.35 H new ATOM 0 HG11 VAL A 113 -0.669 3.644 7.233 1.00 14.23 H new ATOM 0 HG12 VAL A 113 -2.378 4.140 7.214 1.00 14.23 H new ATOM 0 HG13 VAL A 113 -1.947 2.447 7.556 1.00 14.23 H new ATOM 0 HG21 VAL A 113 0.259 2.267 5.389 1.00 31.31 H new ATOM 0 HG22 VAL A 113 -0.979 1.010 5.626 1.00 31.31 H new ATOM 0 HG23 VAL A 113 -0.776 1.769 4.029 1.00 31.31 H new ATOM 1553 N GLU A 114 -5.257 3.240 6.210 1.00 5.02 N ATOM 1554 CA GLU A 114 -6.254 4.169 6.753 1.00 71.14 C ATOM 1555 C GLU A 114 -5.640 5.041 7.860 1.00 71.01 C ATOM 1556 O GLU A 114 -5.729 6.269 7.826 1.00 13.21 O ATOM 1557 CB GLU A 114 -7.449 3.387 7.323 1.00 5.13 C ATOM 1558 CG GLU A 114 -8.212 2.555 6.296 1.00 44.12 C ATOM 1559 CD GLU A 114 -9.037 3.396 5.332 1.00 53.32 C ATOM 1560 OE1 GLU A 114 -10.114 3.885 5.734 1.00 32.31 O ATOM 1561 OE2 GLU A 114 -8.629 3.560 4.161 1.00 1.11 O ATOM 0 H GLU A 114 -5.450 2.259 6.411 1.00 5.02 H new ATOM 0 HA GLU A 114 -6.593 4.815 5.943 1.00 71.14 H new ATOM 0 HB2 GLU A 114 -7.091 2.726 8.112 1.00 5.13 H new ATOM 0 HB3 GLU A 114 -8.140 4.092 7.786 1.00 5.13 H new ATOM 0 HG2 GLU A 114 -7.503 1.953 5.727 1.00 44.12 H new ATOM 0 HG3 GLU A 114 -8.871 1.862 6.818 1.00 44.12 H new ATOM 1568 N ASN A 115 -4.999 4.389 8.832 1.00 54.12 N ATOM 1569 CA ASN A 115 -4.394 5.084 9.972 1.00 63.25 C ATOM 1570 C ASN A 115 -3.337 4.198 10.655 1.00 2.22 C ATOM 1571 O ASN A 115 -3.273 2.996 10.412 1.00 65.21 O ATOM 1572 CB ASN A 115 -5.488 5.504 10.969 1.00 34.32 C ATOM 1573 CG ASN A 115 -4.952 6.339 12.116 1.00 30.13 C ATOM 1574 OD1 ASN A 115 -4.849 7.555 12.023 1.00 53.04 O ATOM 1575 ND2 ASN A 115 -4.604 5.695 13.207 1.00 21.04 N ATOM 0 H ASN A 115 -4.885 3.376 8.853 1.00 54.12 H new ATOM 0 HA ASN A 115 -3.890 5.980 9.610 1.00 63.25 H new ATOM 0 HB2 ASN A 115 -6.255 6.071 10.441 1.00 34.32 H new ATOM 0 HB3 ASN A 115 -5.969 4.612 11.370 1.00 34.32 H new ATOM 0 HD21 ASN A 115 -4.236 6.209 14.007 1.00 21.04 H new ATOM 0 HD22 ASN A 115 -4.702 4.681 13.254 1.00 21.04 H new ATOM 1582 N VAL A 116 -2.490 4.802 11.486 1.00 64.22 N ATOM 1583 CA VAL A 116 -1.430 4.064 12.183 1.00 40.03 C ATOM 1584 C VAL A 116 -1.463 4.339 13.694 1.00 11.21 C ATOM 1585 O VAL A 116 -1.708 5.463 14.129 1.00 33.24 O ATOM 1586 CB VAL A 116 -0.029 4.429 11.624 1.00 22.53 C ATOM 1587 CG1 VAL A 116 1.069 3.629 12.326 1.00 35.45 C ATOM 1588 CG2 VAL A 116 0.023 4.208 10.110 1.00 34.13 C ATOM 0 H VAL A 116 -2.514 5.800 11.695 1.00 64.22 H new ATOM 0 HA VAL A 116 -1.614 3.003 12.011 1.00 40.03 H new ATOM 0 HB VAL A 116 0.148 5.486 11.823 1.00 22.53 H new ATOM 0 HG11 VAL A 116 2.040 3.905 11.914 1.00 35.45 H new ATOM 0 HG12 VAL A 116 1.052 3.847 13.394 1.00 35.45 H new ATOM 0 HG13 VAL A 116 0.899 2.564 12.171 1.00 35.45 H new ATOM 0 HG21 VAL A 116 1.014 4.470 9.738 1.00 34.13 H new ATOM 0 HG22 VAL A 116 -0.183 3.161 9.888 1.00 34.13 H new ATOM 0 HG23 VAL A 116 -0.724 4.836 9.625 1.00 34.13 H new ATOM 1598 N ASN A 117 -1.228 3.299 14.483 1.00 20.20 N ATOM 1599 CA ASN A 117 -1.155 3.427 15.939 1.00 50.03 C ATOM 1600 C ASN A 117 0.284 3.735 16.387 1.00 51.35 C ATOM 1601 O ASN A 117 1.245 3.267 15.778 1.00 64.45 O ATOM 1602 CB ASN A 117 -1.643 2.136 16.606 1.00 15.35 C ATOM 1603 CG ASN A 117 -3.098 1.834 16.284 1.00 1.43 C ATOM 1604 OD1 ASN A 117 -4.004 2.229 17.009 1.00 51.12 O ATOM 1605 ND2 ASN A 117 -3.337 1.139 15.188 1.00 74.44 N ATOM 0 H ASN A 117 -1.083 2.350 14.139 1.00 20.20 H new ATOM 0 HA ASN A 117 -1.798 4.253 16.243 1.00 50.03 H new ATOM 0 HB2 ASN A 117 -1.020 1.303 16.279 1.00 15.35 H new ATOM 0 HB3 ASN A 117 -1.522 2.220 17.686 1.00 15.35 H new ATOM 0 HD21 ASN A 117 -4.297 0.917 14.924 1.00 74.44 H new ATOM 0 HD22 ASN A 117 -2.562 0.824 14.605 1.00 74.44 H new ATOM 1612 N SER A 118 0.423 4.492 17.474 1.00 2.42 N ATOM 1613 CA SER A 118 1.750 4.899 17.977 1.00 2.12 C ATOM 1614 C SER A 118 2.601 3.687 18.399 1.00 10.04 C ATOM 1615 O SER A 118 3.828 3.773 18.479 1.00 12.24 O ATOM 1616 CB SER A 118 1.606 5.880 19.153 1.00 44.24 C ATOM 1617 OG SER A 118 2.874 6.296 19.645 1.00 4.43 O ATOM 0 H SER A 118 -0.360 4.839 18.028 1.00 2.42 H new ATOM 0 HA SER A 118 2.267 5.398 17.157 1.00 2.12 H new ATOM 0 HB2 SER A 118 1.035 6.752 18.833 1.00 44.24 H new ATOM 0 HB3 SER A 118 1.041 5.406 19.956 1.00 44.24 H new ATOM 0 HG SER A 118 2.747 6.920 20.390 1.00 4.43 H new ATOM 1623 N ASP A 119 1.944 2.558 18.667 1.00 71.13 N ATOM 1624 CA ASP A 119 2.648 1.312 18.998 1.00 32.31 C ATOM 1625 C ASP A 119 3.362 0.728 17.766 1.00 4.42 C ATOM 1626 O ASP A 119 4.315 -0.040 17.896 1.00 73.24 O ATOM 1627 CB ASP A 119 1.668 0.273 19.545 1.00 43.41 C ATOM 1628 CG ASP A 119 0.793 0.825 20.654 1.00 23.12 C ATOM 1629 OD1 ASP A 119 1.317 1.099 21.756 1.00 42.34 O ATOM 1630 OD2 ASP A 119 -0.422 0.998 20.421 1.00 3.22 O ATOM 0 H ASP A 119 0.927 2.477 18.662 1.00 71.13 H new ATOM 0 HA ASP A 119 3.393 1.551 19.757 1.00 32.31 H new ATOM 0 HB2 ASP A 119 1.036 -0.088 18.734 1.00 43.41 H new ATOM 0 HB3 ASP A 119 2.226 -0.585 19.920 1.00 43.41 H new ATOM 1635 N GLY A 120 2.888 1.101 16.576 1.00 51.25 N ATOM 1636 CA GLY A 120 3.432 0.562 15.330 1.00 54.21 C ATOM 1637 C GLY A 120 2.396 -0.199 14.504 1.00 64.25 C ATOM 1638 O GLY A 120 2.595 -0.435 13.313 1.00 3.43 O ATOM 0 H GLY A 120 2.131 1.772 16.450 1.00 51.25 H new ATOM 0 HA2 GLY A 120 3.835 1.380 14.733 1.00 54.21 H new ATOM 0 HA3 GLY A 120 4.264 -0.104 15.561 1.00 54.21 H new ATOM 1642 N SER A 121 1.293 -0.593 15.143 1.00 51.44 N ATOM 1643 CA SER A 121 0.215 -1.327 14.461 1.00 24.40 C ATOM 1644 C SER A 121 -0.446 -0.475 13.368 1.00 23.44 C ATOM 1645 O SER A 121 -0.918 0.632 13.627 1.00 1.20 O ATOM 1646 CB SER A 121 -0.850 -1.775 15.470 1.00 73.54 C ATOM 1647 OG SER A 121 -0.270 -2.476 16.559 1.00 71.40 O ATOM 0 H SER A 121 1.119 -0.418 16.133 1.00 51.44 H new ATOM 0 HA SER A 121 0.665 -2.201 13.991 1.00 24.40 H new ATOM 0 HB2 SER A 121 -1.390 -0.904 15.842 1.00 73.54 H new ATOM 0 HB3 SER A 121 -1.580 -2.413 14.972 1.00 73.54 H new ATOM 0 HG SER A 121 -0.973 -2.747 17.185 1.00 71.40 H new ATOM 1653 N VAL A 122 -0.503 -1.011 12.154 1.00 31.20 N ATOM 1654 CA VAL A 122 -1.011 -0.268 10.990 1.00 20.42 C ATOM 1655 C VAL A 122 -2.440 -0.697 10.612 1.00 73.41 C ATOM 1656 O VAL A 122 -2.707 -1.876 10.377 1.00 32.32 O ATOM 1657 CB VAL A 122 -0.078 -0.464 9.769 1.00 14.11 C ATOM 1658 CG1 VAL A 122 -0.540 0.378 8.584 1.00 51.32 C ATOM 1659 CG2 VAL A 122 1.363 -0.130 10.143 1.00 11.11 C ATOM 0 H VAL A 122 -0.203 -1.963 11.942 1.00 31.20 H new ATOM 0 HA VAL A 122 -1.033 0.785 11.271 1.00 20.42 H new ATOM 0 HB VAL A 122 -0.124 -1.511 9.470 1.00 14.11 H new ATOM 0 HG11 VAL A 122 0.133 0.221 7.741 1.00 51.32 H new ATOM 0 HG12 VAL A 122 -1.551 0.084 8.301 1.00 51.32 H new ATOM 0 HG13 VAL A 122 -0.533 1.432 8.862 1.00 51.32 H new ATOM 0 HG21 VAL A 122 2.007 -0.273 9.275 1.00 11.11 H new ATOM 0 HG22 VAL A 122 1.422 0.907 10.472 1.00 11.11 H new ATOM 0 HG23 VAL A 122 1.691 -0.786 10.949 1.00 11.11 H new ATOM 1669 N GLU A 123 -3.351 0.270 10.557 1.00 72.32 N ATOM 1670 CA GLU A 123 -4.748 0.020 10.178 1.00 12.34 C ATOM 1671 C GLU A 123 -4.949 0.241 8.668 1.00 73.32 C ATOM 1672 O GLU A 123 -4.830 1.363 8.170 1.00 2.32 O ATOM 1673 CB GLU A 123 -5.669 0.950 10.980 1.00 13.42 C ATOM 1674 CG GLU A 123 -5.457 0.854 12.487 1.00 64.42 C ATOM 1675 CD GLU A 123 -6.209 1.922 13.264 1.00 44.51 C ATOM 1676 OE1 GLU A 123 -5.663 3.033 13.430 1.00 25.33 O ATOM 1677 OE2 GLU A 123 -7.336 1.654 13.724 1.00 35.23 O ATOM 0 H GLU A 123 -3.148 1.246 10.772 1.00 72.32 H new ATOM 0 HA GLU A 123 -4.997 -1.017 10.404 1.00 12.34 H new ATOM 0 HB2 GLU A 123 -5.502 1.979 10.661 1.00 13.42 H new ATOM 0 HB3 GLU A 123 -6.707 0.709 10.750 1.00 13.42 H new ATOM 0 HG2 GLU A 123 -5.777 -0.130 12.831 1.00 64.42 H new ATOM 0 HG3 GLU A 123 -4.392 0.937 12.704 1.00 64.42 H new ATOM 1684 N VAL A 124 -5.255 -0.833 7.944 1.00 45.32 N ATOM 1685 CA VAL A 124 -5.376 -0.780 6.478 1.00 51.42 C ATOM 1686 C VAL A 124 -6.786 -1.155 5.997 1.00 74.54 C ATOM 1687 O VAL A 124 -7.577 -1.733 6.743 1.00 63.23 O ATOM 1688 CB VAL A 124 -4.347 -1.720 5.802 1.00 73.02 C ATOM 1689 CG1 VAL A 124 -2.922 -1.312 6.170 1.00 4.34 C ATOM 1690 CG2 VAL A 124 -4.614 -3.181 6.176 1.00 51.34 C ATOM 0 H VAL A 124 -5.425 -1.756 8.344 1.00 45.32 H new ATOM 0 HA VAL A 124 -5.177 0.252 6.191 1.00 51.42 H new ATOM 0 HB VAL A 124 -4.458 -1.626 4.722 1.00 73.02 H new ATOM 0 HG11 VAL A 124 -2.214 -1.985 5.685 1.00 4.34 H new ATOM 0 HG12 VAL A 124 -2.738 -0.291 5.837 1.00 4.34 H new ATOM 0 HG13 VAL A 124 -2.795 -1.369 7.251 1.00 4.34 H new ATOM 0 HG21 VAL A 124 -3.879 -3.821 5.689 1.00 51.34 H new ATOM 0 HG22 VAL A 124 -4.539 -3.299 7.257 1.00 51.34 H new ATOM 0 HG23 VAL A 124 -5.615 -3.463 5.848 1.00 51.34 H new ATOM 1700 N SER A 125 -7.090 -0.833 4.739 1.00 24.00 N ATOM 1701 CA SER A 125 -8.406 -1.124 4.148 1.00 62.13 C ATOM 1702 C SER A 125 -8.295 -2.100 2.964 1.00 24.11 C ATOM 1703 O SER A 125 -7.370 -2.009 2.157 1.00 71.41 O ATOM 1704 CB SER A 125 -9.085 0.173 3.692 1.00 22.44 C ATOM 1705 OG SER A 125 -8.251 0.917 2.815 1.00 50.32 O ATOM 0 H SER A 125 -6.442 -0.368 4.103 1.00 24.00 H new ATOM 0 HA SER A 125 -9.013 -1.598 4.919 1.00 62.13 H new ATOM 0 HB2 SER A 125 -10.023 -0.063 3.190 1.00 22.44 H new ATOM 0 HB3 SER A 125 -9.333 0.780 4.562 1.00 22.44 H new ATOM 0 HG SER A 125 -8.200 1.846 3.122 1.00 50.32 H new ATOM 1711 N GLU A 126 -9.260 -3.028 2.871 1.00 34.33 N ATOM 1712 CA GLU A 126 -9.274 -4.074 1.828 1.00 73.41 C ATOM 1713 C GLU A 126 -10.695 -4.283 1.276 1.00 53.54 C ATOM 1714 O GLU A 126 -11.677 -3.946 1.929 1.00 2.14 O ATOM 1715 CB GLU A 126 -8.774 -5.409 2.404 1.00 41.31 C ATOM 1716 CG GLU A 126 -7.427 -5.331 3.113 1.00 75.25 C ATOM 1717 CD GLU A 126 -7.043 -6.643 3.777 1.00 5.50 C ATOM 1718 OE1 GLU A 126 -7.943 -7.325 4.328 1.00 73.13 O ATOM 1719 OE2 GLU A 126 -5.844 -6.992 3.779 1.00 31.52 O ATOM 0 H GLU A 126 -10.051 -3.077 3.513 1.00 34.33 H new ATOM 0 HA GLU A 126 -8.617 -3.744 1.023 1.00 73.41 H new ATOM 0 HB2 GLU A 126 -9.517 -5.788 3.106 1.00 41.31 H new ATOM 0 HB3 GLU A 126 -8.702 -6.135 1.594 1.00 41.31 H new ATOM 0 HG2 GLU A 126 -6.657 -5.052 2.394 1.00 75.25 H new ATOM 0 HG3 GLU A 126 -7.461 -4.543 3.865 1.00 75.25 H new ATOM 1726 N MET A 127 -10.798 -4.853 0.078 1.00 54.13 N ATOM 1727 CA MET A 127 -12.106 -5.189 -0.508 1.00 24.14 C ATOM 1728 C MET A 127 -12.614 -6.536 0.039 1.00 1.25 C ATOM 1729 O MET A 127 -11.852 -7.498 0.134 1.00 0.45 O ATOM 1730 CB MET A 127 -12.001 -5.235 -2.040 1.00 51.12 C ATOM 1731 CG MET A 127 -13.299 -5.625 -2.736 1.00 21.52 C ATOM 1732 SD MET A 127 -14.680 -4.562 -2.278 1.00 63.10 S ATOM 1733 CE MET A 127 -14.127 -2.971 -2.894 1.00 13.22 C ATOM 0 H MET A 127 -9.999 -5.094 -0.509 1.00 54.13 H new ATOM 0 HA MET A 127 -12.822 -4.416 -0.229 1.00 24.14 H new ATOM 0 HB2 MET A 127 -11.686 -4.257 -2.402 1.00 51.12 H new ATOM 0 HB3 MET A 127 -11.223 -5.945 -2.320 1.00 51.12 H new ATOM 0 HG2 MET A 127 -13.155 -5.582 -3.816 1.00 21.52 H new ATOM 0 HG3 MET A 127 -13.543 -6.658 -2.488 1.00 21.52 H new ATOM 0 HE1 MET A 127 -14.962 -2.270 -2.892 1.00 13.22 H new ATOM 0 HE2 MET A 127 -13.332 -2.589 -2.254 1.00 13.22 H new ATOM 0 HE3 MET A 127 -13.751 -3.085 -3.911 1.00 13.22 H new ATOM 1878 N GLU A 138 -11.855 -3.041 6.406 1.00 33.13 N ATOM 1879 CA GLU A 138 -10.700 -2.531 7.164 1.00 43.33 C ATOM 1880 C GLU A 138 -10.138 -3.591 8.130 1.00 62.04 C ATOM 1881 O GLU A 138 -10.834 -4.538 8.507 1.00 54.44 O ATOM 1882 CB GLU A 138 -11.116 -1.276 7.953 1.00 63.30 C ATOM 1883 CG GLU A 138 -11.448 -0.067 7.076 1.00 22.04 C ATOM 1884 CD GLU A 138 -12.254 0.992 7.810 1.00 54.43 C ATOM 1885 OE1 GLU A 138 -11.703 1.653 8.713 1.00 62.52 O ATOM 1886 OE2 GLU A 138 -13.455 1.155 7.497 1.00 65.34 O ATOM 0 HA GLU A 138 -9.914 -2.281 6.452 1.00 43.33 H new ATOM 0 HB2 GLU A 138 -11.985 -1.517 8.565 1.00 63.30 H new ATOM 0 HB3 GLU A 138 -10.310 -1.006 8.636 1.00 63.30 H new ATOM 0 HG2 GLU A 138 -10.521 0.377 6.711 1.00 22.04 H new ATOM 0 HG3 GLU A 138 -12.007 -0.401 6.202 1.00 22.04 H new ATOM 1893 N ARG A 139 -8.872 -3.429 8.520 1.00 40.31 N ATOM 1894 CA ARG A 139 -8.235 -4.317 9.506 1.00 54.44 C ATOM 1895 C ARG A 139 -7.034 -3.629 10.177 1.00 15.21 C ATOM 1896 O ARG A 139 -6.624 -2.540 9.772 1.00 2.13 O ATOM 1897 CB ARG A 139 -7.765 -5.633 8.854 1.00 4.03 C ATOM 1898 CG ARG A 139 -6.464 -5.513 8.055 1.00 11.24 C ATOM 1899 CD ARG A 139 -5.842 -6.879 7.762 1.00 11.03 C ATOM 1900 NE ARG A 139 -6.633 -7.669 6.826 1.00 51.35 N ATOM 1901 CZ ARG A 139 -7.127 -8.852 7.080 1.00 1.50 C ATOM 1902 NH1 ARG A 139 -7.017 -9.385 8.253 1.00 25.01 N ATOM 1903 NH2 ARG A 139 -7.760 -9.488 6.156 1.00 52.14 N ATOM 0 H ARG A 139 -8.263 -2.690 8.169 1.00 40.31 H new ATOM 0 HA ARG A 139 -8.987 -4.544 10.262 1.00 54.44 H new ATOM 0 HB2 ARG A 139 -7.631 -6.383 9.634 1.00 4.03 H new ATOM 0 HB3 ARG A 139 -8.551 -5.998 8.193 1.00 4.03 H new ATOM 0 HG2 ARG A 139 -6.662 -4.996 7.116 1.00 11.24 H new ATOM 0 HG3 ARG A 139 -5.752 -4.903 8.611 1.00 11.24 H new ATOM 0 HD2 ARG A 139 -4.840 -6.738 7.356 1.00 11.03 H new ATOM 0 HD3 ARG A 139 -5.733 -7.431 8.695 1.00 11.03 H new ATOM 0 HE ARG A 139 -6.814 -7.269 5.905 1.00 51.35 H new ATOM 0 HH11 ARG A 139 -6.538 -8.881 8.999 1.00 25.01 H new ATOM 0 HH12 ARG A 139 -7.409 -10.309 8.432 1.00 25.01 H new ATOM 0 HH21 ARG A 139 -7.873 -9.068 5.233 1.00 52.14 H new ATOM 0 HH22 ARG A 139 -8.148 -10.412 6.347 1.00 52.14 H new ATOM 1917 N THR A 140 -6.460 -4.280 11.190 1.00 33.43 N ATOM 1918 CA THR A 140 -5.268 -3.761 11.881 1.00 72.33 C ATOM 1919 C THR A 140 -4.161 -4.819 11.934 1.00 45.43 C ATOM 1920 O THR A 140 -4.368 -5.926 12.434 1.00 53.01 O ATOM 1921 CB THR A 140 -5.593 -3.307 13.328 1.00 51.31 C ATOM 1922 OG1 THR A 140 -6.634 -2.319 13.314 1.00 25.15 O ATOM 1923 CG2 THR A 140 -4.361 -2.730 14.017 1.00 23.04 C ATOM 0 H THR A 140 -6.799 -5.170 11.554 1.00 33.43 H new ATOM 0 HA THR A 140 -4.927 -2.899 11.308 1.00 72.33 H new ATOM 0 HB THR A 140 -5.924 -4.184 13.884 1.00 51.31 H new ATOM 0 HG1 THR A 140 -6.833 -2.040 14.232 1.00 25.15 H new ATOM 0 HG21 THR A 140 -4.621 -2.421 15.029 1.00 23.04 H new ATOM 0 HG22 THR A 140 -3.579 -3.488 14.059 1.00 23.04 H new ATOM 0 HG23 THR A 140 -4.001 -1.868 13.456 1.00 23.04 H new ATOM 1931 N ILE A 141 -2.989 -4.479 11.413 1.00 41.11 N ATOM 1932 CA ILE A 141 -1.850 -5.401 11.394 1.00 20.44 C ATOM 1933 C ILE A 141 -0.926 -5.177 12.605 1.00 21.35 C ATOM 1934 O ILE A 141 -0.636 -4.037 12.978 1.00 54.14 O ATOM 1935 CB ILE A 141 -1.040 -5.249 10.082 1.00 63.54 C ATOM 1936 CG1 ILE A 141 -1.956 -5.476 8.862 1.00 13.52 C ATOM 1937 CG2 ILE A 141 0.145 -6.218 10.059 1.00 20.40 C ATOM 1938 CD1 ILE A 141 -1.254 -5.339 7.527 1.00 20.41 C ATOM 0 H ILE A 141 -2.797 -3.568 10.995 1.00 41.11 H new ATOM 0 HA ILE A 141 -2.251 -6.413 11.449 1.00 20.44 H new ATOM 0 HB ILE A 141 -0.644 -4.234 10.035 1.00 63.54 H new ATOM 0 HG12 ILE A 141 -2.393 -6.472 8.930 1.00 13.52 H new ATOM 0 HG13 ILE A 141 -2.780 -4.763 8.902 1.00 13.52 H new ATOM 0 HG21 ILE A 141 0.699 -6.093 9.129 1.00 20.40 H new ATOM 0 HG22 ILE A 141 0.802 -6.009 10.903 1.00 20.40 H new ATOM 0 HG23 ILE A 141 -0.221 -7.242 10.129 1.00 20.40 H new ATOM 0 HD11 ILE A 141 -1.967 -5.513 6.721 1.00 20.41 H new ATOM 0 HD12 ILE A 141 -0.841 -4.335 7.435 1.00 20.41 H new ATOM 0 HD13 ILE A 141 -0.448 -6.070 7.463 1.00 20.41 H new ATOM 1950 N SER A 142 -0.473 -6.277 13.211 1.00 40.43 N ATOM 1951 CA SER A 142 0.392 -6.224 14.402 1.00 0.13 C ATOM 1952 C SER A 142 1.707 -5.476 14.126 1.00 2.02 C ATOM 1953 O SER A 142 2.339 -5.672 13.085 1.00 2.03 O ATOM 1954 CB SER A 142 0.712 -7.643 14.895 1.00 13.12 C ATOM 1955 OG SER A 142 -0.470 -8.371 15.199 1.00 23.53 O ATOM 0 H SER A 142 -0.690 -7.223 12.897 1.00 40.43 H new ATOM 0 HA SER A 142 -0.156 -5.679 15.170 1.00 0.13 H new ATOM 0 HB2 SER A 142 1.281 -8.174 14.132 1.00 13.12 H new ATOM 0 HB3 SER A 142 1.343 -7.587 15.782 1.00 13.12 H new ATOM 0 HG SER A 142 -0.230 -9.270 15.508 1.00 23.53 H new ATOM 1961 N ALA A 143 2.120 -4.639 15.082 1.00 72.22 N ATOM 1962 CA ALA A 143 3.347 -3.834 14.955 1.00 25.15 C ATOM 1963 C ALA A 143 4.569 -4.680 14.560 1.00 63.14 C ATOM 1964 O ALA A 143 5.364 -4.283 13.705 1.00 15.33 O ATOM 1965 CB ALA A 143 3.621 -3.100 16.266 1.00 21.12 C ATOM 0 H ALA A 143 1.621 -4.498 15.960 1.00 72.22 H new ATOM 0 HA ALA A 143 3.182 -3.115 14.152 1.00 25.15 H new ATOM 0 HB1 ALA A 143 4.530 -2.506 16.167 1.00 21.12 H new ATOM 0 HB2 ALA A 143 2.782 -2.444 16.498 1.00 21.12 H new ATOM 0 HB3 ALA A 143 3.747 -3.825 17.070 1.00 21.12 H new ATOM 1971 N GLY A 144 4.700 -5.853 15.178 1.00 3.15 N ATOM 1972 CA GLY A 144 5.826 -6.742 14.904 1.00 34.34 C ATOM 1973 C GLY A 144 5.937 -7.156 13.437 1.00 22.32 C ATOM 1974 O GLY A 144 7.028 -7.444 12.947 1.00 34.01 O ATOM 0 H GLY A 144 4.041 -6.209 15.871 1.00 3.15 H new ATOM 0 HA2 GLY A 144 6.750 -6.247 15.204 1.00 34.34 H new ATOM 0 HA3 GLY A 144 5.729 -7.637 15.519 1.00 34.34 H new ATOM 1978 N GLU A 145 4.807 -7.189 12.732 1.00 43.42 N ATOM 1979 CA GLU A 145 4.788 -7.566 11.315 1.00 74.43 C ATOM 1980 C GLU A 145 4.800 -6.323 10.402 1.00 50.30 C ATOM 1981 O GLU A 145 5.304 -6.367 9.279 1.00 22.31 O ATOM 1982 CB GLU A 145 3.548 -8.427 11.023 1.00 3.52 C ATOM 1983 CG GLU A 145 3.513 -9.021 9.616 1.00 72.24 C ATOM 1984 CD GLU A 145 4.639 -10.016 9.365 1.00 23.30 C ATOM 1985 OE1 GLU A 145 4.471 -11.207 9.686 1.00 23.23 O ATOM 1986 OE2 GLU A 145 5.707 -9.612 8.859 1.00 30.24 O ATOM 0 H GLU A 145 3.891 -6.959 13.117 1.00 43.42 H new ATOM 0 HA GLU A 145 5.689 -8.143 11.104 1.00 74.43 H new ATOM 0 HB2 GLU A 145 3.505 -9.239 11.749 1.00 3.52 H new ATOM 0 HB3 GLU A 145 2.655 -7.819 11.171 1.00 3.52 H new ATOM 0 HG2 GLU A 145 2.555 -9.517 9.460 1.00 72.24 H new ATOM 0 HG3 GLU A 145 3.577 -8.215 8.885 1.00 72.24 H new ATOM 1993 N ALA A 146 4.265 -5.210 10.909 1.00 64.44 N ATOM 1994 CA ALA A 146 4.134 -3.967 10.131 1.00 11.35 C ATOM 1995 C ALA A 146 5.477 -3.462 9.568 1.00 1.55 C ATOM 1996 O ALA A 146 5.514 -2.823 8.517 1.00 23.34 O ATOM 1997 CB ALA A 146 3.492 -2.886 10.992 1.00 51.52 C ATOM 0 H ALA A 146 3.911 -5.140 11.863 1.00 64.44 H new ATOM 0 HA ALA A 146 3.500 -4.194 9.274 1.00 11.35 H new ATOM 0 HB1 ALA A 146 3.397 -1.968 10.412 1.00 51.52 H new ATOM 0 HB2 ALA A 146 2.504 -3.216 11.314 1.00 51.52 H new ATOM 0 HB3 ALA A 146 4.115 -2.700 11.867 1.00 51.52 H new ATOM 2003 N SER A 147 6.579 -3.761 10.258 1.00 12.05 N ATOM 2004 CA SER A 147 7.909 -3.282 9.841 1.00 13.43 C ATOM 2005 C SER A 147 8.481 -4.110 8.675 1.00 40.42 C ATOM 2006 O SER A 147 9.531 -3.778 8.127 1.00 73.40 O ATOM 2007 CB SER A 147 8.887 -3.314 11.028 1.00 50.42 C ATOM 2008 OG SER A 147 10.184 -2.853 10.660 1.00 24.02 O ATOM 0 H SER A 147 6.583 -4.330 11.105 1.00 12.05 H new ATOM 0 HA SER A 147 7.787 -2.255 9.495 1.00 13.43 H new ATOM 0 HB2 SER A 147 8.497 -2.695 11.836 1.00 50.42 H new ATOM 0 HB3 SER A 147 8.959 -4.332 11.412 1.00 50.42 H new ATOM 0 HG SER A 147 10.331 -3.017 9.705 1.00 24.02 H new ATOM 2014 N SER A 148 7.792 -5.184 8.300 1.00 72.35 N ATOM 2015 CA SER A 148 8.251 -6.059 7.208 1.00 31.05 C ATOM 2016 C SER A 148 7.790 -5.549 5.838 1.00 42.23 C ATOM 2017 O SER A 148 8.297 -5.982 4.800 1.00 55.41 O ATOM 2018 CB SER A 148 7.733 -7.490 7.410 1.00 23.41 C ATOM 2019 OG SER A 148 8.125 -8.018 8.669 1.00 0.14 O ATOM 0 H SER A 148 6.914 -5.475 8.731 1.00 72.35 H new ATOM 0 HA SER A 148 9.341 -6.053 7.232 1.00 31.05 H new ATOM 0 HB2 SER A 148 6.646 -7.497 7.335 1.00 23.41 H new ATOM 0 HB3 SER A 148 8.112 -8.130 6.613 1.00 23.41 H new ATOM 0 HG SER A 148 7.436 -8.635 8.994 1.00 0.14 H new ATOM 2025 N TYR A 149 6.830 -4.631 5.838 1.00 35.42 N ATOM 2026 CA TYR A 149 6.213 -4.155 4.596 1.00 71.34 C ATOM 2027 C TYR A 149 6.894 -2.886 4.058 1.00 2.32 C ATOM 2028 O TYR A 149 7.343 -2.034 4.823 1.00 62.44 O ATOM 2029 CB TYR A 149 4.723 -3.875 4.829 1.00 61.04 C ATOM 2030 CG TYR A 149 3.964 -5.055 5.408 1.00 4.42 C ATOM 2031 CD1 TYR A 149 3.870 -6.252 4.710 1.00 42.11 C ATOM 2032 CD2 TYR A 149 3.336 -4.971 6.646 1.00 51.13 C ATOM 2033 CE1 TYR A 149 3.174 -7.329 5.226 1.00 35.22 C ATOM 2034 CE2 TYR A 149 2.641 -6.045 7.167 1.00 41.15 C ATOM 2035 CZ TYR A 149 2.562 -7.220 6.454 1.00 31.22 C ATOM 2036 OH TYR A 149 1.865 -8.290 6.967 1.00 51.25 O ATOM 0 H TYR A 149 6.459 -4.198 6.684 1.00 35.42 H new ATOM 0 HA TYR A 149 6.337 -4.940 3.850 1.00 71.34 H new ATOM 0 HB2 TYR A 149 4.623 -3.024 5.503 1.00 61.04 H new ATOM 0 HB3 TYR A 149 4.264 -3.588 3.883 1.00 61.04 H new ATOM 0 HD1 TYR A 149 4.349 -6.343 3.747 1.00 42.11 H new ATOM 0 HD2 TYR A 149 3.393 -4.051 7.209 1.00 51.13 H new ATOM 0 HE1 TYR A 149 3.111 -8.252 4.668 1.00 35.22 H new ATOM 0 HE2 TYR A 149 2.161 -5.963 8.131 1.00 41.15 H new ATOM 0 HH TYR A 149 1.495 -8.050 7.842 1.00 51.25 H new ATOM 2046 N ASN A 150 6.967 -2.776 2.734 1.00 15.20 N ATOM 2047 CA ASN A 150 7.490 -1.573 2.079 1.00 0.04 C ATOM 2048 C ASN A 150 6.343 -0.615 1.727 1.00 0.31 C ATOM 2049 O ASN A 150 5.464 -0.952 0.932 1.00 13.14 O ATOM 2050 CB ASN A 150 8.278 -1.954 0.818 1.00 54.32 C ATOM 2051 CG ASN A 150 9.519 -2.771 1.134 1.00 24.55 C ATOM 2052 OD1 ASN A 150 10.119 -2.629 2.195 1.00 42.13 O ATOM 2053 ND2 ASN A 150 9.923 -3.626 0.216 1.00 2.53 N ATOM 0 H ASN A 150 6.670 -3.507 2.088 1.00 15.20 H new ATOM 0 HA ASN A 150 8.164 -1.065 2.769 1.00 0.04 H new ATOM 0 HB2 ASN A 150 7.633 -2.523 0.148 1.00 54.32 H new ATOM 0 HB3 ASN A 150 8.569 -1.048 0.287 1.00 54.32 H new ATOM 0 HD21 ASN A 150 10.756 -4.192 0.378 1.00 2.53 H new ATOM 0 HD22 ASN A 150 9.403 -3.721 -0.656 1.00 2.53 H new ATOM 2060 N TYR A 151 6.349 0.570 2.333 1.00 24.12 N ATOM 2061 CA TYR A 151 5.265 1.544 2.154 1.00 12.12 C ATOM 2062 C TYR A 151 5.598 2.573 1.059 1.00 50.20 C ATOM 2063 O TYR A 151 6.613 3.269 1.131 1.00 50.22 O ATOM 2064 CB TYR A 151 4.983 2.273 3.479 1.00 60.35 C ATOM 2065 CG TYR A 151 4.536 1.360 4.608 1.00 23.52 C ATOM 2066 CD1 TYR A 151 5.427 0.477 5.209 1.00 34.23 C ATOM 2067 CD2 TYR A 151 3.225 1.376 5.072 1.00 12.01 C ATOM 2068 CE1 TYR A 151 5.027 -0.360 6.231 1.00 54.21 C ATOM 2069 CE2 TYR A 151 2.817 0.541 6.095 1.00 0.40 C ATOM 2070 CZ TYR A 151 3.722 -0.325 6.670 1.00 1.20 C ATOM 2071 OH TYR A 151 3.319 -1.166 7.681 1.00 0.35 O ATOM 0 H TYR A 151 7.094 0.884 2.955 1.00 24.12 H new ATOM 0 HA TYR A 151 4.378 0.993 1.841 1.00 12.12 H new ATOM 0 HB2 TYR A 151 5.884 2.802 3.789 1.00 60.35 H new ATOM 0 HB3 TYR A 151 4.214 3.027 3.310 1.00 60.35 H new ATOM 0 HD1 TYR A 151 6.452 0.446 4.869 1.00 34.23 H new ATOM 0 HD2 TYR A 151 2.513 2.053 4.625 1.00 12.01 H new ATOM 0 HE1 TYR A 151 5.734 -1.039 6.684 1.00 54.21 H new ATOM 0 HE2 TYR A 151 1.795 0.567 6.442 1.00 0.40 H new ATOM 0 HH TYR A 151 4.072 -1.728 7.959 1.00 0.35 H new ATOM 2081 N ILE A 152 4.734 2.664 0.050 1.00 74.42 N ATOM 2082 CA ILE A 152 4.881 3.666 -1.014 1.00 43.35 C ATOM 2083 C ILE A 152 4.277 5.015 -0.576 1.00 1.43 C ATOM 2084 O ILE A 152 3.102 5.088 -0.219 1.00 3.24 O ATOM 2085 CB ILE A 152 4.202 3.217 -2.343 1.00 10.21 C ATOM 2086 CG1 ILE A 152 4.821 1.911 -2.886 1.00 21.12 C ATOM 2087 CG2 ILE A 152 4.294 4.323 -3.396 1.00 14.42 C ATOM 2088 CD1 ILE A 152 4.425 0.665 -2.119 1.00 15.03 C ATOM 0 H ILE A 152 3.922 2.056 -0.057 1.00 74.42 H new ATOM 0 HA ILE A 152 5.950 3.776 -1.194 1.00 43.35 H new ATOM 0 HB ILE A 152 3.152 3.024 -2.124 1.00 10.21 H new ATOM 0 HG12 ILE A 152 4.527 1.790 -3.929 1.00 21.12 H new ATOM 0 HG13 ILE A 152 5.907 2.003 -2.869 1.00 21.12 H new ATOM 0 HG21 ILE A 152 3.814 3.990 -4.316 1.00 14.42 H new ATOM 0 HG22 ILE A 152 3.792 5.218 -3.028 1.00 14.42 H new ATOM 0 HG23 ILE A 152 5.341 4.550 -3.594 1.00 14.42 H new ATOM 0 HD11 ILE A 152 4.904 -0.206 -2.567 1.00 15.03 H new ATOM 0 HD12 ILE A 152 4.744 0.760 -1.081 1.00 15.03 H new ATOM 0 HD13 ILE A 152 3.342 0.543 -2.157 1.00 15.03 H new ATOM 2100 N HIS A 153 5.087 6.075 -0.605 1.00 53.21 N ATOM 2101 CA HIS A 153 4.640 7.423 -0.219 1.00 20.30 C ATOM 2102 C HIS A 153 4.663 8.367 -1.432 1.00 34.31 C ATOM 2103 O HIS A 153 5.614 8.355 -2.218 1.00 42.33 O ATOM 2104 CB HIS A 153 5.541 7.986 0.892 1.00 53.04 C ATOM 2105 CG HIS A 153 5.638 7.103 2.102 1.00 2.24 C ATOM 2106 ND1 HIS A 153 5.004 7.373 3.296 1.00 12.22 N ATOM 2107 CD2 HIS A 153 6.327 5.954 2.305 1.00 63.44 C ATOM 2108 CE1 HIS A 153 5.300 6.436 4.175 1.00 23.41 C ATOM 2109 NE2 HIS A 153 6.099 5.561 3.599 1.00 61.42 N ATOM 0 H HIS A 153 6.064 6.029 -0.894 1.00 53.21 H new ATOM 0 HA HIS A 153 3.618 7.350 0.152 1.00 20.30 H new ATOM 0 HB2 HIS A 153 6.541 8.145 0.489 1.00 53.04 H new ATOM 0 HB3 HIS A 153 5.161 8.961 1.196 1.00 53.04 H new ATOM 0 HD1 HIS A 153 4.399 8.175 3.472 1.00 12.22 H new ATOM 0 HD2 HIS A 153 6.943 5.442 1.581 1.00 63.44 H new ATOM 0 HE1 HIS A 153 4.947 6.393 5.195 1.00 23.41 H new ATOM 2118 N LEU A 154 3.622 9.180 -1.580 1.00 51.15 N ATOM 2119 CA LEU A 154 3.511 10.092 -2.725 1.00 1.11 C ATOM 2120 C LEU A 154 3.971 11.518 -2.383 1.00 43.43 C ATOM 2121 O LEU A 154 3.247 12.281 -1.737 1.00 13.23 O ATOM 2122 CB LEU A 154 2.062 10.132 -3.235 1.00 11.01 C ATOM 2123 CG LEU A 154 1.466 8.778 -3.656 1.00 1.11 C ATOM 2124 CD1 LEU A 154 0.056 8.964 -4.206 1.00 11.33 C ATOM 2125 CD2 LEU A 154 2.362 8.078 -4.679 1.00 10.40 C ATOM 0 H LEU A 154 2.842 9.230 -0.925 1.00 51.15 H new ATOM 0 HA LEU A 154 4.170 9.706 -3.503 1.00 1.11 H new ATOM 0 HB2 LEU A 154 1.433 10.558 -2.454 1.00 11.01 H new ATOM 0 HB3 LEU A 154 2.015 10.810 -4.087 1.00 11.01 H new ATOM 0 HG LEU A 154 1.409 8.142 -2.773 1.00 1.11 H new ATOM 0 HD11 LEU A 154 -0.351 7.996 -4.499 1.00 11.33 H new ATOM 0 HD12 LEU A 154 -0.579 9.407 -3.438 1.00 11.33 H new ATOM 0 HD13 LEU A 154 0.088 9.622 -5.074 1.00 11.33 H new ATOM 0 HD21 LEU A 154 1.917 7.123 -4.959 1.00 10.40 H new ATOM 0 HD22 LEU A 154 2.462 8.706 -5.565 1.00 10.40 H new ATOM 0 HD23 LEU A 154 3.346 7.906 -4.243 1.00 10.40 H new