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 117 ASN : amide:sc= 1.11 K(o=0.97,f=-0.41) USER MOD Set 1.2: A 121 SER OG : rot 180:sc= -0.146 USER MOD Set 2.1: A 91 ASN : amide:sc= -0.401 K(o=1.5,f=-5.3!) USER MOD Set 2.2: A 98 SER OG : rot 159:sc= 0.884 USER MOD Set 2.3: A 153 HIS : no HD1:sc= 1.04 K(o=1.5,f=-10!) USER MOD Set 3.1: A 64 LYS NZ :NH3+ -137:sc= 0.487 (180deg=-1.88!) USER MOD Set 3.2: A 125 SER OG : rot -70:sc= 1.39 USER MOD Set 4.1: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 71 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 57 CYS SG : rot -156:sc= 0.21 USER MOD Set 5.2: A 109 HIS : no HD1:sc= 0.268 K(o=0.48,f=-0.84) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.978 K(o=-0.98,f=-1.6) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00799 USER MOD Single : A 60 TYR OH : rot 110:sc= -1.88! USER MOD Single : A 68 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 72 THR OG1 : rot -22:sc= 0.555 USER MOD Single : A 75 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.014) USER MOD Single : A 77 ASN : amide:sc= -0.448 K(o=-0.45,f=-5.3!) USER MOD Single : A 78 ASN : amide:sc= 0.422 K(o=0.42,f=-0.33) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 1:sc= 0.588 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.6) USER MOD Single : A 102 SER OG : rot -61:sc= 0.0952 USER MOD Single : A 112 TYR OH : rot 180:sc= -1.17 USER MOD Single : A 115 ASN : amide:sc= 0.127 X(o=0.13,f=-0.25) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 127 MET CE :methyl -112:sc= -0.0362 (180deg=-1.2) 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 67:sc= 0.378 USER MOD Single : A 148 SER OG : rot -33:sc= 0.539 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 TYR OH : rot -130:sc= -1.02 USER MOD ----------------------------------------------------------------- ATOM 723 N THR A 53 -9.084 -5.511 -12.845 1.00 21.53 N ATOM 724 CA THR A 53 -10.440 -6.095 -12.861 1.00 54.22 C ATOM 725 C THR A 53 -11.071 -6.110 -11.460 1.00 63.31 C ATOM 726 O THR A 53 -10.371 -6.222 -10.448 1.00 15.13 O ATOM 727 CB THR A 53 -10.449 -7.535 -13.436 1.00 53.13 C ATOM 728 OG1 THR A 53 -11.799 -8.022 -13.523 1.00 25.34 O ATOM 729 CG2 THR A 53 -9.619 -8.486 -12.580 1.00 11.20 C ATOM 0 HA THR A 53 -11.033 -5.454 -13.513 1.00 54.22 H new ATOM 0 HB THR A 53 -10.005 -7.497 -14.431 1.00 53.13 H new ATOM 0 HG1 THR A 53 -11.796 -8.931 -13.889 1.00 25.34 H new ATOM 0 HG21 THR A 53 -9.649 -9.486 -13.014 1.00 11.20 H new ATOM 0 HG22 THR A 53 -8.587 -8.136 -12.544 1.00 11.20 H new ATOM 0 HG23 THR A 53 -10.027 -8.517 -11.570 1.00 11.20 H new ATOM 737 N ALA A 54 -12.399 -6.008 -11.414 1.00 11.20 N ATOM 738 CA ALA A 54 -13.138 -5.927 -10.148 1.00 11.40 C ATOM 739 C ALA A 54 -12.938 -7.178 -9.272 1.00 33.34 C ATOM 740 O ALA A 54 -13.514 -8.237 -9.535 1.00 35.23 O ATOM 741 CB ALA A 54 -14.621 -5.700 -10.424 1.00 75.11 C ATOM 0 H ALA A 54 -12.991 -5.979 -12.244 1.00 11.20 H new ATOM 0 HA ALA A 54 -12.739 -5.081 -9.589 1.00 11.40 H new ATOM 0 HB1 ALA A 54 -15.162 -5.641 -9.480 1.00 75.11 H new ATOM 0 HB2 ALA A 54 -14.750 -4.768 -10.975 1.00 75.11 H new ATOM 0 HB3 ALA A 54 -15.012 -6.528 -11.015 1.00 75.11 H new ATOM 747 N GLY A 55 -12.114 -7.042 -8.234 1.00 44.22 N ATOM 748 CA GLY A 55 -11.842 -8.157 -7.330 1.00 12.15 C ATOM 749 C GLY A 55 -10.393 -8.194 -6.852 1.00 73.41 C ATOM 750 O GLY A 55 -10.102 -8.682 -5.760 1.00 72.43 O ATOM 0 H GLY A 55 -11.627 -6.177 -8.000 1.00 44.22 H new ATOM 0 HA2 GLY A 55 -12.503 -8.087 -6.466 1.00 12.15 H new ATOM 0 HA3 GLY A 55 -12.077 -9.094 -7.836 1.00 12.15 H new ATOM 754 N GLN A 56 -9.483 -7.672 -7.672 1.00 4.43 N ATOM 755 CA GLN A 56 -8.053 -7.655 -7.338 1.00 32.10 C ATOM 756 C GLN A 56 -7.728 -6.607 -6.258 1.00 60.31 C ATOM 757 O GLN A 56 -8.312 -5.522 -6.230 1.00 42.10 O ATOM 758 CB GLN A 56 -7.223 -7.359 -8.596 1.00 65.04 C ATOM 759 CG GLN A 56 -7.394 -8.384 -9.713 1.00 32.41 C ATOM 760 CD GLN A 56 -6.593 -8.039 -10.960 1.00 51.34 C ATOM 761 OE1 GLN A 56 -6.360 -6.873 -11.262 1.00 71.44 O ATOM 762 NE2 GLN A 56 -6.179 -9.045 -11.702 1.00 63.20 N ATOM 0 H GLN A 56 -9.707 -7.254 -8.575 1.00 4.43 H new ATOM 0 HA GLN A 56 -7.799 -8.639 -6.944 1.00 32.10 H new ATOM 0 HB2 GLN A 56 -7.498 -6.375 -8.976 1.00 65.04 H new ATOM 0 HB3 GLN A 56 -6.170 -7.311 -8.320 1.00 65.04 H new ATOM 0 HG2 GLN A 56 -7.087 -9.365 -9.350 1.00 32.41 H new ATOM 0 HG3 GLN A 56 -8.450 -8.457 -9.974 1.00 32.41 H new ATOM 0 HE21 GLN A 56 -6.389 -10.004 -11.424 1.00 63.20 H new ATOM 0 HE22 GLN A 56 -5.649 -8.865 -12.555 1.00 63.20 H new ATOM 771 N CYS A 57 -6.783 -6.935 -5.374 1.00 52.21 N ATOM 772 CA CYS A 57 -6.298 -5.981 -4.367 1.00 54.34 C ATOM 773 C CYS A 57 -5.760 -4.711 -5.042 1.00 2.05 C ATOM 774 O CYS A 57 -6.081 -3.592 -4.644 1.00 63.44 O ATOM 775 CB CYS A 57 -5.195 -6.622 -3.512 1.00 23.23 C ATOM 776 SG CYS A 57 -5.629 -8.247 -2.848 1.00 73.24 S ATOM 0 H CYS A 57 -6.337 -7.852 -5.333 1.00 52.21 H new ATOM 0 HA CYS A 57 -7.135 -5.710 -3.723 1.00 54.34 H new ATOM 0 HB2 CYS A 57 -4.292 -6.717 -4.114 1.00 23.23 H new ATOM 0 HB3 CYS A 57 -4.957 -5.954 -2.684 1.00 23.23 H new ATOM 0 HG CYS A 57 -4.928 -8.480 -1.778 1.00 73.24 H new ATOM 782 N THR A 58 -4.950 -4.906 -6.084 1.00 3.42 N ATOM 783 CA THR A 58 -4.399 -3.799 -6.881 1.00 52.42 C ATOM 784 C THR A 58 -5.509 -2.889 -7.425 1.00 33.14 C ATOM 785 O THR A 58 -5.382 -1.662 -7.436 1.00 3.11 O ATOM 786 CB THR A 58 -3.577 -4.341 -8.076 1.00 4.14 C ATOM 787 OG1 THR A 58 -4.412 -5.171 -8.903 1.00 41.01 O ATOM 788 CG2 THR A 58 -2.375 -5.151 -7.597 1.00 42.35 C ATOM 0 H THR A 58 -4.656 -5.830 -6.401 1.00 3.42 H new ATOM 0 HA THR A 58 -3.756 -3.221 -6.218 1.00 52.42 H new ATOM 0 HB THR A 58 -3.213 -3.489 -8.650 1.00 4.14 H new ATOM 0 HG1 THR A 58 -3.889 -5.511 -9.659 1.00 41.01 H new ATOM 0 HG21 THR A 58 -1.817 -5.518 -8.458 1.00 42.35 H new ATOM 0 HG22 THR A 58 -1.729 -4.518 -6.989 1.00 42.35 H new ATOM 0 HG23 THR A 58 -2.720 -5.996 -7.001 1.00 42.35 H new ATOM 796 N TRP A 59 -6.591 -3.513 -7.880 1.00 70.43 N ATOM 797 CA TRP A 59 -7.777 -2.802 -8.367 1.00 24.21 C ATOM 798 C TRP A 59 -8.326 -1.822 -7.316 1.00 22.34 C ATOM 799 O TRP A 59 -8.467 -0.625 -7.579 1.00 4.24 O ATOM 800 CB TRP A 59 -8.853 -3.830 -8.756 1.00 42.23 C ATOM 801 CG TRP A 59 -10.211 -3.243 -9.013 1.00 72.45 C ATOM 802 CD1 TRP A 59 -10.623 -2.594 -10.135 1.00 73.33 C ATOM 803 CD2 TRP A 59 -11.337 -3.270 -8.126 1.00 42.20 C ATOM 804 NE1 TRP A 59 -11.930 -2.201 -9.998 1.00 52.20 N ATOM 805 CE2 TRP A 59 -12.393 -2.606 -8.775 1.00 3.20 C ATOM 806 CE3 TRP A 59 -11.555 -3.789 -6.844 1.00 34.54 C ATOM 807 CZ2 TRP A 59 -13.646 -2.447 -8.188 1.00 51.11 C ATOM 808 CZ3 TRP A 59 -12.797 -3.630 -6.262 1.00 53.45 C ATOM 809 CH2 TRP A 59 -13.829 -2.964 -6.933 1.00 53.23 C ATOM 0 H TRP A 59 -6.674 -4.529 -7.923 1.00 70.43 H new ATOM 0 HA TRP A 59 -7.494 -2.212 -9.239 1.00 24.21 H new ATOM 0 HB2 TRP A 59 -8.525 -4.360 -9.650 1.00 42.23 H new ATOM 0 HB3 TRP A 59 -8.936 -4.570 -7.960 1.00 42.23 H new ATOM 0 HD1 TRP A 59 -10.011 -2.414 -11.006 1.00 73.33 H new ATOM 0 HE1 TRP A 59 -12.470 -1.689 -10.695 1.00 52.20 H new ATOM 0 HE3 TRP A 59 -10.765 -4.305 -6.319 1.00 34.54 H new ATOM 0 HZ2 TRP A 59 -14.445 -1.935 -8.704 1.00 51.11 H new ATOM 0 HZ3 TRP A 59 -12.975 -4.026 -5.273 1.00 53.45 H new ATOM 0 HH2 TRP A 59 -14.789 -2.856 -6.451 1.00 53.23 H new ATOM 820 N TYR A 60 -8.622 -2.341 -6.126 1.00 51.52 N ATOM 821 CA TYR A 60 -9.205 -1.534 -5.047 1.00 3.01 C ATOM 822 C TYR A 60 -8.265 -0.401 -4.591 1.00 51.53 C ATOM 823 O TYR A 60 -8.704 0.728 -4.356 1.00 2.35 O ATOM 824 CB TYR A 60 -9.570 -2.431 -3.856 1.00 20.22 C ATOM 825 CG TYR A 60 -10.091 -1.662 -2.658 1.00 2.33 C ATOM 826 CD1 TYR A 60 -11.242 -0.886 -2.753 1.00 33.14 C ATOM 827 CD2 TYR A 60 -9.420 -1.692 -1.440 1.00 13.03 C ATOM 828 CE1 TYR A 60 -11.710 -0.169 -1.671 1.00 45.21 C ATOM 829 CE2 TYR A 60 -9.881 -0.975 -0.355 1.00 31.01 C ATOM 830 CZ TYR A 60 -11.027 -0.215 -0.476 1.00 75.11 C ATOM 831 OH TYR A 60 -11.484 0.510 0.600 1.00 55.31 O ATOM 0 H TYR A 60 -8.469 -3.319 -5.881 1.00 51.52 H new ATOM 0 HA TYR A 60 -10.107 -1.066 -5.442 1.00 3.01 H new ATOM 0 HB2 TYR A 60 -10.325 -3.151 -4.172 1.00 20.22 H new ATOM 0 HB3 TYR A 60 -8.690 -3.001 -3.557 1.00 20.22 H new ATOM 0 HD1 TYR A 60 -11.778 -0.844 -3.690 1.00 33.14 H new ATOM 0 HD2 TYR A 60 -8.524 -2.286 -1.342 1.00 13.03 H new ATOM 0 HE1 TYR A 60 -12.607 0.425 -1.761 1.00 45.21 H new ATOM 0 HE2 TYR A 60 -9.348 -1.008 0.584 1.00 31.01 H new ATOM 0 HH TYR A 60 -11.836 -0.101 1.280 1.00 55.31 H new ATOM 841 N VAL A 61 -6.979 -0.706 -4.466 1.00 3.21 N ATOM 842 CA VAL A 61 -5.989 0.289 -4.027 1.00 42.24 C ATOM 843 C VAL A 61 -5.918 1.491 -4.985 1.00 73.53 C ATOM 844 O VAL A 61 -5.775 2.637 -4.548 1.00 70.43 O ATOM 845 CB VAL A 61 -4.583 -0.341 -3.888 1.00 2.54 C ATOM 846 CG1 VAL A 61 -3.551 0.701 -3.454 1.00 43.12 C ATOM 847 CG2 VAL A 61 -4.618 -1.506 -2.904 1.00 3.22 C ATOM 0 H VAL A 61 -6.591 -1.629 -4.660 1.00 3.21 H new ATOM 0 HA VAL A 61 -6.320 0.644 -3.051 1.00 42.24 H new ATOM 0 HB VAL A 61 -4.284 -0.719 -4.865 1.00 2.54 H new ATOM 0 HG11 VAL A 61 -2.573 0.229 -3.365 1.00 43.12 H new ATOM 0 HG12 VAL A 61 -3.503 1.497 -4.197 1.00 43.12 H new ATOM 0 HG13 VAL A 61 -3.841 1.121 -2.491 1.00 43.12 H new ATOM 0 HG21 VAL A 61 -3.621 -1.939 -2.817 1.00 3.22 H new ATOM 0 HG22 VAL A 61 -4.945 -1.148 -1.928 1.00 3.22 H new ATOM 0 HG23 VAL A 61 -5.313 -2.265 -3.263 1.00 3.22 H new ATOM 857 N TYR A 62 -6.031 1.227 -6.285 1.00 52.35 N ATOM 858 CA TYR A 62 -5.963 2.288 -7.295 1.00 21.41 C ATOM 859 C TYR A 62 -7.109 3.304 -7.121 1.00 5.13 C ATOM 860 O TYR A 62 -6.931 4.504 -7.352 1.00 60.45 O ATOM 861 CB TYR A 62 -5.987 1.680 -8.706 1.00 63.52 C ATOM 862 CG TYR A 62 -5.743 2.696 -9.811 1.00 33.12 C ATOM 863 CD1 TYR A 62 -4.544 3.398 -9.876 1.00 40.35 C ATOM 864 CD2 TYR A 62 -6.708 2.959 -10.780 1.00 53.14 C ATOM 865 CE1 TYR A 62 -4.312 4.327 -10.872 1.00 62.00 C ATOM 866 CE2 TYR A 62 -6.482 3.888 -11.778 1.00 20.14 C ATOM 867 CZ TYR A 62 -5.284 4.568 -11.820 1.00 54.03 C ATOM 868 OH TYR A 62 -5.060 5.497 -12.811 1.00 74.44 O ATOM 0 H TYR A 62 -6.170 0.291 -6.666 1.00 52.35 H new ATOM 0 HA TYR A 62 -5.024 2.824 -7.159 1.00 21.41 H new ATOM 0 HB2 TYR A 62 -5.230 0.899 -8.769 1.00 63.52 H new ATOM 0 HB3 TYR A 62 -6.953 1.202 -8.870 1.00 63.52 H new ATOM 0 HD1 TYR A 62 -3.781 3.214 -9.135 1.00 40.35 H new ATOM 0 HD2 TYR A 62 -7.648 2.428 -10.751 1.00 53.14 H new ATOM 0 HE1 TYR A 62 -3.374 4.862 -10.908 1.00 62.00 H new ATOM 0 HE2 TYR A 62 -7.241 4.080 -12.522 1.00 20.14 H new ATOM 0 HH TYR A 62 -5.844 5.545 -13.398 1.00 74.44 H new ATOM 878 N ASP A 63 -8.278 2.812 -6.701 1.00 55.35 N ATOM 879 CA ASP A 63 -9.439 3.672 -6.426 1.00 11.25 C ATOM 880 C ASP A 63 -9.210 4.485 -5.132 1.00 13.23 C ATOM 881 O ASP A 63 -9.423 5.701 -5.095 1.00 52.35 O ATOM 882 CB ASP A 63 -10.704 2.803 -6.313 1.00 2.10 C ATOM 883 CG ASP A 63 -11.997 3.611 -6.358 1.00 12.35 C ATOM 884 OD1 ASP A 63 -12.354 4.229 -5.333 1.00 4.50 O ATOM 885 OD2 ASP A 63 -12.666 3.616 -7.418 1.00 53.31 O ATOM 0 H ASP A 63 -8.448 1.819 -6.543 1.00 55.35 H new ATOM 0 HA ASP A 63 -9.570 4.378 -7.246 1.00 11.25 H new ATOM 0 HB2 ASP A 63 -10.710 2.075 -7.124 1.00 2.10 H new ATOM 0 HB3 ASP A 63 -10.668 2.240 -5.380 1.00 2.10 H new ATOM 890 N LYS A 64 -8.750 3.799 -4.078 1.00 1.43 N ATOM 891 CA LYS A 64 -8.418 4.437 -2.789 1.00 32.43 C ATOM 892 C LYS A 64 -7.397 5.573 -2.947 1.00 63.21 C ATOM 893 O LYS A 64 -7.505 6.614 -2.298 1.00 14.33 O ATOM 894 CB LYS A 64 -7.850 3.392 -1.813 1.00 0.11 C ATOM 895 CG LYS A 64 -8.880 2.399 -1.285 1.00 20.21 C ATOM 896 CD LYS A 64 -9.754 2.997 -0.182 1.00 74.34 C ATOM 897 CE LYS A 64 -8.941 3.344 1.066 1.00 55.00 C ATOM 898 NZ LYS A 64 -9.804 3.605 2.251 1.00 14.11 N ATOM 0 H LYS A 64 -8.597 2.791 -4.090 1.00 1.43 H new ATOM 0 HA LYS A 64 -9.343 4.862 -2.398 1.00 32.43 H new ATOM 0 HB2 LYS A 64 -7.054 2.840 -2.313 1.00 0.11 H new ATOM 0 HB3 LYS A 64 -7.396 3.910 -0.968 1.00 0.11 H new ATOM 0 HG2 LYS A 64 -9.514 2.066 -2.107 1.00 20.21 H new ATOM 0 HG3 LYS A 64 -8.367 1.517 -0.901 1.00 20.21 H new ATOM 0 HD2 LYS A 64 -10.246 3.895 -0.556 1.00 74.34 H new ATOM 0 HD3 LYS A 64 -10.540 2.289 0.082 1.00 74.34 H new ATOM 0 HE2 LYS A 64 -8.258 2.525 1.291 1.00 55.00 H new ATOM 0 HE3 LYS A 64 -8.329 4.223 0.865 1.00 55.00 H new ATOM 0 HZ1 LYS A 64 -9.449 4.438 2.762 1.00 14.11 H new ATOM 0 HZ2 LYS A 64 -10.780 3.781 1.938 1.00 14.11 H new ATOM 0 HZ3 LYS A 64 -9.787 2.778 2.882 1.00 14.11 H new ATOM 912 N VAL A 65 -6.395 5.363 -3.798 1.00 52.14 N ATOM 913 CA VAL A 65 -5.335 6.358 -4.000 1.00 44.14 C ATOM 914 C VAL A 65 -5.750 7.427 -5.035 1.00 2.15 C ATOM 915 O VAL A 65 -4.933 8.241 -5.472 1.00 12.43 O ATOM 916 CB VAL A 65 -4.010 5.673 -4.440 1.00 72.25 C ATOM 917 CG1 VAL A 65 -4.103 5.158 -5.874 1.00 54.41 C ATOM 918 CG2 VAL A 65 -2.817 6.613 -4.269 1.00 74.21 C ATOM 0 H VAL A 65 -6.292 4.517 -4.359 1.00 52.14 H new ATOM 0 HA VAL A 65 -5.172 6.857 -3.045 1.00 44.14 H new ATOM 0 HB VAL A 65 -3.852 4.814 -3.788 1.00 72.25 H new ATOM 0 HG11 VAL A 65 -3.161 4.684 -6.152 1.00 54.41 H new ATOM 0 HG12 VAL A 65 -4.911 4.430 -5.947 1.00 54.41 H new ATOM 0 HG13 VAL A 65 -4.303 5.991 -6.548 1.00 54.41 H new ATOM 0 HG21 VAL A 65 -1.906 6.105 -4.585 1.00 74.21 H new ATOM 0 HG22 VAL A 65 -2.966 7.504 -4.878 1.00 74.21 H new ATOM 0 HG23 VAL A 65 -2.728 6.901 -3.221 1.00 74.21 H new ATOM 928 N GLY A 66 -7.026 7.413 -5.427 1.00 12.35 N ATOM 929 CA GLY A 66 -7.549 8.407 -6.361 1.00 14.01 C ATOM 930 C GLY A 66 -6.852 8.401 -7.719 1.00 31.52 C ATOM 931 O GLY A 66 -6.862 9.405 -8.432 1.00 4.02 O ATOM 0 H GLY A 66 -7.712 6.727 -5.113 1.00 12.35 H new ATOM 0 HA2 GLY A 66 -8.614 8.229 -6.509 1.00 14.01 H new ATOM 0 HA3 GLY A 66 -7.450 9.397 -5.916 1.00 14.01 H new ATOM 935 N GLY A 67 -6.250 7.269 -8.080 1.00 1.05 N ATOM 936 CA GLY A 67 -5.540 7.163 -9.352 1.00 0.34 C ATOM 937 C GLY A 67 -4.328 8.090 -9.475 1.00 14.02 C ATOM 938 O GLY A 67 -3.973 8.503 -10.579 1.00 62.41 O ATOM 0 H GLY A 67 -6.240 6.420 -7.515 1.00 1.05 H new ATOM 0 HA2 GLY A 67 -5.210 6.133 -9.486 1.00 0.34 H new ATOM 0 HA3 GLY A 67 -6.235 7.383 -10.162 1.00 0.34 H new ATOM 942 N ASN A 68 -3.685 8.414 -8.353 1.00 0.13 N ATOM 943 CA ASN A 68 -2.507 9.300 -8.365 1.00 3.40 C ATOM 944 C ASN A 68 -1.185 8.511 -8.450 1.00 2.15 C ATOM 945 O ASN A 68 -0.130 9.001 -8.046 1.00 5.22 O ATOM 946 CB ASN A 68 -2.502 10.192 -7.116 1.00 42.12 C ATOM 947 CG ASN A 68 -3.642 11.199 -7.116 1.00 12.24 C ATOM 948 OD1 ASN A 68 -3.527 12.287 -7.672 1.00 71.43 O ATOM 949 ND2 ASN A 68 -4.743 10.857 -6.481 1.00 62.02 N ATOM 0 H ASN A 68 -3.953 8.082 -7.427 1.00 0.13 H new ATOM 0 HA ASN A 68 -2.579 9.920 -9.259 1.00 3.40 H new ATOM 0 HB2 ASN A 68 -2.574 9.566 -6.226 1.00 42.12 H new ATOM 0 HB3 ASN A 68 -1.552 10.723 -7.056 1.00 42.12 H new ATOM 0 HD21 ASN A 68 -5.531 11.504 -6.441 1.00 62.02 H new ATOM 0 HD22 ASN A 68 -4.808 9.945 -6.028 1.00 62.02 H new ATOM 956 N ILE A 69 -1.244 7.294 -8.992 1.00 51.25 N ATOM 957 CA ILE A 69 -0.050 6.451 -9.149 1.00 51.22 C ATOM 958 C ILE A 69 0.009 5.803 -10.541 1.00 61.14 C ATOM 959 O ILE A 69 -1.017 5.623 -11.203 1.00 61.12 O ATOM 960 CB ILE A 69 0.007 5.327 -8.078 1.00 23.44 C ATOM 961 CG1 ILE A 69 -1.222 4.407 -8.192 1.00 51.21 C ATOM 962 CG2 ILE A 69 0.116 5.918 -6.672 1.00 10.22 C ATOM 963 CD1 ILE A 69 -1.200 3.231 -7.238 1.00 32.11 C ATOM 0 H ILE A 69 -2.106 6.866 -9.331 1.00 51.25 H new ATOM 0 HA ILE A 69 0.805 7.114 -9.022 1.00 51.22 H new ATOM 0 HB ILE A 69 0.899 4.728 -8.260 1.00 23.44 H new ATOM 0 HG12 ILE A 69 -2.121 4.995 -8.008 1.00 51.21 H new ATOM 0 HG13 ILE A 69 -1.289 4.032 -9.213 1.00 51.21 H new ATOM 0 HG21 ILE A 69 0.154 5.111 -5.940 1.00 10.22 H new ATOM 0 HG22 ILE A 69 1.023 6.518 -6.599 1.00 10.22 H new ATOM 0 HG23 ILE A 69 -0.752 6.547 -6.473 1.00 10.22 H new ATOM 0 HD11 ILE A 69 -2.099 2.631 -7.379 1.00 32.11 H new ATOM 0 HD12 ILE A 69 -0.320 2.619 -7.435 1.00 32.11 H new ATOM 0 HD13 ILE A 69 -1.165 3.596 -6.211 1.00 32.11 H new ATOM 975 N GLY A 70 1.219 5.456 -10.979 1.00 73.14 N ATOM 976 CA GLY A 70 1.389 4.756 -12.249 1.00 71.52 C ATOM 977 C GLY A 70 0.854 3.327 -12.206 1.00 0.00 C ATOM 978 O GLY A 70 1.571 2.396 -11.839 1.00 23.14 O ATOM 0 H GLY A 70 2.087 5.646 -10.478 1.00 73.14 H new ATOM 0 HA2 GLY A 70 0.876 5.309 -13.036 1.00 71.52 H new ATOM 0 HA3 GLY A 70 2.447 4.737 -12.510 1.00 71.52 H new ATOM 982 N SER A 71 -0.400 3.146 -12.616 1.00 1.44 N ATOM 983 CA SER A 71 -1.080 1.836 -12.533 1.00 23.12 C ATOM 984 C SER A 71 -0.565 0.813 -13.565 1.00 4.52 C ATOM 985 O SER A 71 -1.244 -0.172 -13.862 1.00 35.33 O ATOM 986 CB SER A 71 -2.594 2.017 -12.708 1.00 5.41 C ATOM 987 OG SER A 71 -2.902 2.669 -13.932 1.00 15.33 O ATOM 0 H SER A 71 -0.976 3.889 -13.012 1.00 1.44 H new ATOM 0 HA SER A 71 -0.854 1.435 -11.545 1.00 23.12 H new ATOM 0 HB2 SER A 71 -3.084 1.044 -12.680 1.00 5.41 H new ATOM 0 HB3 SER A 71 -2.991 2.598 -11.875 1.00 5.41 H new ATOM 0 HG SER A 71 -3.873 2.768 -14.014 1.00 15.33 H new ATOM 993 N THR A 72 0.641 1.026 -14.086 1.00 64.03 N ATOM 994 CA THR A 72 1.244 0.099 -15.058 1.00 43.13 C ATOM 995 C THR A 72 2.071 -0.998 -14.363 1.00 13.20 C ATOM 996 O THR A 72 2.612 -1.889 -15.021 1.00 55.34 O ATOM 997 CB THR A 72 2.145 0.849 -16.072 1.00 21.03 C ATOM 998 OG1 THR A 72 2.671 -0.060 -17.057 1.00 23.34 O ATOM 999 CG2 THR A 72 3.301 1.560 -15.369 1.00 55.43 C ATOM 0 H THR A 72 1.225 1.830 -13.856 1.00 64.03 H new ATOM 0 HA THR A 72 0.417 -0.369 -15.592 1.00 43.13 H new ATOM 0 HB THR A 72 1.524 1.596 -16.566 1.00 21.03 H new ATOM 0 HG1 THR A 72 2.655 -0.973 -16.701 1.00 23.34 H new ATOM 0 HG21 THR A 72 3.914 2.076 -16.108 1.00 55.43 H new ATOM 0 HG22 THR A 72 2.904 2.284 -14.657 1.00 55.43 H new ATOM 0 HG23 THR A 72 3.911 0.828 -14.840 1.00 55.43 H new ATOM 1007 N TRP A 73 2.162 -0.930 -13.033 1.00 11.55 N ATOM 1008 CA TRP A 73 2.955 -1.890 -12.247 1.00 2.44 C ATOM 1009 C TRP A 73 2.399 -3.325 -12.331 1.00 55.43 C ATOM 1010 O TRP A 73 3.164 -4.293 -12.375 1.00 72.44 O ATOM 1011 CB TRP A 73 3.023 -1.447 -10.779 1.00 32.34 C ATOM 1012 CG TRP A 73 3.669 -0.104 -10.579 1.00 72.12 C ATOM 1013 CD1 TRP A 73 4.677 0.444 -11.323 1.00 55.42 C ATOM 1014 CD2 TRP A 73 3.363 0.851 -9.556 1.00 21.41 C ATOM 1015 NE1 TRP A 73 5.013 1.678 -10.825 1.00 63.52 N ATOM 1016 CE2 TRP A 73 4.222 1.952 -9.741 1.00 61.52 C ATOM 1017 CE3 TRP A 73 2.445 0.885 -8.503 1.00 15.24 C ATOM 1018 CZ2 TRP A 73 4.189 3.069 -8.914 1.00 22.14 C ATOM 1019 CZ3 TRP A 73 2.415 1.996 -7.680 1.00 40.24 C ATOM 1020 CH2 TRP A 73 3.283 3.074 -7.888 1.00 43.04 C ATOM 0 H TRP A 73 1.695 -0.218 -12.471 1.00 11.55 H new ATOM 0 HA TRP A 73 3.956 -1.901 -12.678 1.00 2.44 H new ATOM 0 HB2 TRP A 73 2.013 -1.418 -10.371 1.00 32.34 H new ATOM 0 HB3 TRP A 73 3.576 -2.194 -10.209 1.00 32.34 H new ATOM 0 HD1 TRP A 73 5.141 -0.026 -12.178 1.00 55.42 H new ATOM 0 HE1 TRP A 73 5.735 2.292 -11.201 1.00 63.52 H new ATOM 0 HE3 TRP A 73 1.771 0.058 -8.335 1.00 15.24 H new ATOM 0 HZ2 TRP A 73 4.855 3.904 -9.075 1.00 22.14 H new ATOM 0 HZ3 TRP A 73 1.710 2.032 -6.863 1.00 40.24 H new ATOM 0 HH2 TRP A 73 3.237 3.926 -7.226 1.00 43.04 H new ATOM 1031 N GLY A 74 1.071 -3.458 -12.339 1.00 60.23 N ATOM 1032 CA GLY A 74 0.445 -4.776 -12.439 1.00 54.05 C ATOM 1033 C GLY A 74 0.513 -5.582 -11.141 1.00 22.21 C ATOM 1034 O GLY A 74 -0.136 -5.232 -10.151 1.00 31.00 O ATOM 0 H GLY A 74 0.416 -2.679 -12.278 1.00 60.23 H new ATOM 0 HA2 GLY A 74 -0.599 -4.653 -12.727 1.00 54.05 H new ATOM 0 HA3 GLY A 74 0.931 -5.341 -13.235 1.00 54.05 H new ATOM 1038 N ASN A 75 1.304 -6.659 -11.147 1.00 21.12 N ATOM 1039 CA ASN A 75 1.439 -7.544 -9.979 1.00 4.12 C ATOM 1040 C ASN A 75 1.821 -6.766 -8.712 1.00 41.12 C ATOM 1041 O ASN A 75 2.730 -5.937 -8.729 1.00 2.12 O ATOM 1042 CB ASN A 75 2.488 -8.626 -10.249 1.00 22.13 C ATOM 1043 CG ASN A 75 2.105 -9.501 -11.423 1.00 30.22 C ATOM 1044 OD1 ASN A 75 1.418 -10.504 -11.269 1.00 12.13 O ATOM 1045 ND2 ASN A 75 2.551 -9.134 -12.606 1.00 11.00 N ATOM 0 H ASN A 75 1.864 -6.943 -11.951 1.00 21.12 H new ATOM 0 HA ASN A 75 0.467 -8.007 -9.812 1.00 4.12 H new ATOM 0 HB2 ASN A 75 3.452 -8.157 -10.445 1.00 22.13 H new ATOM 0 HB3 ASN A 75 2.610 -9.244 -9.360 1.00 22.13 H new ATOM 0 HD21 ASN A 75 2.327 -9.691 -13.431 1.00 11.00 H new ATOM 0 HD22 ASN A 75 3.121 -8.293 -12.698 1.00 11.00 H new ATOM 1052 N ALA A 76 1.136 -7.062 -7.611 1.00 60.41 N ATOM 1053 CA ALA A 76 1.323 -6.328 -6.357 1.00 32.24 C ATOM 1054 C ALA A 76 2.766 -6.416 -5.833 1.00 30.20 C ATOM 1055 O ALA A 76 3.312 -5.428 -5.345 1.00 44.34 O ATOM 1056 CB ALA A 76 0.343 -6.834 -5.313 1.00 61.24 C ATOM 0 H ALA A 76 0.443 -7.808 -7.559 1.00 60.41 H new ATOM 0 HA ALA A 76 1.128 -5.275 -6.560 1.00 32.24 H new ATOM 0 HB1 ALA A 76 0.487 -6.285 -4.383 1.00 61.24 H new ATOM 0 HB2 ALA A 76 -0.677 -6.685 -5.669 1.00 61.24 H new ATOM 0 HB3 ALA A 76 0.515 -7.896 -5.137 1.00 61.24 H new ATOM 1062 N ASN A 77 3.390 -7.590 -5.958 1.00 45.44 N ATOM 1063 CA ASN A 77 4.768 -7.788 -5.476 1.00 41.41 C ATOM 1064 C ASN A 77 5.788 -6.907 -6.227 1.00 44.21 C ATOM 1065 O ASN A 77 6.950 -6.812 -5.829 1.00 11.25 O ATOM 1066 CB ASN A 77 5.169 -9.270 -5.576 1.00 55.23 C ATOM 1067 CG ASN A 77 5.102 -9.827 -6.992 1.00 33.33 C ATOM 1068 OD1 ASN A 77 5.295 -9.117 -7.975 1.00 22.25 O ATOM 1069 ND2 ASN A 77 4.829 -11.111 -7.105 1.00 55.42 N ATOM 0 H ASN A 77 2.970 -8.416 -6.385 1.00 45.44 H new ATOM 0 HA ASN A 77 4.784 -7.481 -4.430 1.00 41.41 H new ATOM 0 HB2 ASN A 77 6.183 -9.389 -5.195 1.00 55.23 H new ATOM 0 HB3 ASN A 77 4.516 -9.859 -4.932 1.00 55.23 H new ATOM 0 HD21 ASN A 77 4.773 -11.541 -8.028 1.00 55.42 H new ATOM 0 HD22 ASN A 77 4.674 -11.675 -6.269 1.00 55.42 H new ATOM 1076 N ASN A 78 5.344 -6.267 -7.304 1.00 43.40 N ATOM 1077 CA ASN A 78 6.206 -5.403 -8.119 1.00 60.42 C ATOM 1078 C ASN A 78 6.105 -3.925 -7.685 1.00 44.23 C ATOM 1079 O ASN A 78 6.978 -3.119 -8.003 1.00 51.03 O ATOM 1080 CB ASN A 78 5.804 -5.547 -9.594 1.00 33.51 C ATOM 1081 CG ASN A 78 6.689 -4.757 -10.543 1.00 51.02 C ATOM 1082 OD1 ASN A 78 7.889 -4.613 -10.327 1.00 3.12 O ATOM 1083 ND2 ASN A 78 6.103 -4.233 -11.600 1.00 52.45 N ATOM 0 H ASN A 78 4.383 -6.329 -7.639 1.00 43.40 H new ATOM 0 HA ASN A 78 7.241 -5.714 -7.979 1.00 60.42 H new ATOM 0 HB2 ASN A 78 5.838 -6.601 -9.870 1.00 33.51 H new ATOM 0 HB3 ASN A 78 4.772 -5.219 -9.715 1.00 33.51 H new ATOM 0 HD21 ASN A 78 6.649 -3.689 -12.268 1.00 52.45 H new ATOM 0 HD22 ASN A 78 5.104 -4.371 -11.750 1.00 52.45 H new ATOM 1090 N TRP A 79 5.060 -3.587 -6.927 1.00 73.12 N ATOM 1091 CA TRP A 79 4.739 -2.179 -6.624 1.00 14.51 C ATOM 1092 C TRP A 79 5.867 -1.450 -5.873 1.00 72.41 C ATOM 1093 O TRP A 79 6.183 -0.301 -6.186 1.00 63.14 O ATOM 1094 CB TRP A 79 3.428 -2.084 -5.826 1.00 54.10 C ATOM 1095 CG TRP A 79 2.194 -2.308 -6.656 1.00 4.13 C ATOM 1096 CD1 TRP A 79 2.035 -3.214 -7.663 1.00 13.11 C ATOM 1097 CD2 TRP A 79 0.947 -1.610 -6.545 1.00 3.32 C ATOM 1098 NE1 TRP A 79 0.769 -3.122 -8.187 1.00 60.42 N ATOM 1099 CE2 TRP A 79 0.082 -2.144 -7.518 1.00 4.55 C ATOM 1100 CE3 TRP A 79 0.479 -0.584 -5.718 1.00 50.04 C ATOM 1101 CZ2 TRP A 79 -1.221 -1.685 -7.688 1.00 0.24 C ATOM 1102 CZ3 TRP A 79 -0.816 -0.132 -5.887 1.00 23.11 C ATOM 1103 CH2 TRP A 79 -1.654 -0.682 -6.865 1.00 24.12 C ATOM 0 H TRP A 79 4.419 -4.262 -6.510 1.00 73.12 H new ATOM 0 HA TRP A 79 4.622 -1.677 -7.585 1.00 14.51 H new ATOM 0 HB2 TRP A 79 3.450 -2.817 -5.020 1.00 54.10 H new ATOM 0 HB3 TRP A 79 3.368 -1.100 -5.360 1.00 54.10 H new ATOM 0 HD1 TRP A 79 2.795 -3.904 -8.000 1.00 13.11 H new ATOM 0 HE1 TRP A 79 0.400 -3.690 -8.950 1.00 60.42 H new ATOM 0 HE3 TRP A 79 1.118 -0.153 -4.961 1.00 50.04 H new ATOM 0 HZ2 TRP A 79 -1.868 -2.106 -8.444 1.00 0.24 H new ATOM 0 HZ3 TRP A 79 -1.188 0.659 -5.254 1.00 23.11 H new ATOM 0 HH2 TRP A 79 -2.661 -0.307 -6.971 1.00 24.12 H new ATOM 1114 N ALA A 80 6.477 -2.114 -4.894 1.00 73.24 N ATOM 1115 CA ALA A 80 7.522 -1.484 -4.072 1.00 20.51 C ATOM 1116 C ALA A 80 8.781 -1.155 -4.894 1.00 42.24 C ATOM 1117 O ALA A 80 9.221 -0.003 -4.947 1.00 41.30 O ATOM 1118 CB ALA A 80 7.878 -2.380 -2.890 1.00 75.34 C ATOM 0 H ALA A 80 6.272 -3.082 -4.647 1.00 73.24 H new ATOM 0 HA ALA A 80 7.121 -0.542 -3.698 1.00 20.51 H new ATOM 0 HB1 ALA A 80 8.652 -1.901 -2.291 1.00 75.34 H new ATOM 0 HB2 ALA A 80 6.992 -2.542 -2.276 1.00 75.34 H new ATOM 0 HB3 ALA A 80 8.244 -3.339 -3.257 1.00 75.34 H new ATOM 1124 N SER A 81 9.355 -2.173 -5.534 1.00 2.03 N ATOM 1125 CA SER A 81 10.565 -1.993 -6.353 1.00 21.45 C ATOM 1126 C SER A 81 10.311 -1.049 -7.539 1.00 53.11 C ATOM 1127 O SER A 81 11.116 -0.156 -7.823 1.00 32.41 O ATOM 1128 CB SER A 81 11.074 -3.349 -6.865 1.00 65.24 C ATOM 1129 OG SER A 81 12.277 -3.205 -7.608 1.00 21.43 O ATOM 0 H SER A 81 9.007 -3.131 -5.505 1.00 2.03 H new ATOM 0 HA SER A 81 11.325 -1.540 -5.717 1.00 21.45 H new ATOM 0 HB2 SER A 81 11.244 -4.018 -6.021 1.00 65.24 H new ATOM 0 HB3 SER A 81 10.311 -3.813 -7.491 1.00 65.24 H new ATOM 0 HG SER A 81 12.577 -4.085 -7.919 1.00 21.43 H new ATOM 1135 N ALA A 82 9.180 -1.241 -8.224 1.00 54.01 N ATOM 1136 CA ALA A 82 8.804 -0.392 -9.359 1.00 34.52 C ATOM 1137 C ALA A 82 8.683 1.083 -8.950 1.00 50.12 C ATOM 1138 O ALA A 82 9.222 1.966 -9.617 1.00 21.51 O ATOM 1139 CB ALA A 82 7.501 -0.886 -9.975 1.00 32.21 C ATOM 0 H ALA A 82 8.508 -1.978 -8.012 1.00 54.01 H new ATOM 0 HA ALA A 82 9.597 -0.459 -10.104 1.00 34.52 H new ATOM 0 HB1 ALA A 82 7.232 -0.248 -10.817 1.00 32.21 H new ATOM 0 HB2 ALA A 82 7.629 -1.911 -10.323 1.00 32.21 H new ATOM 0 HB3 ALA A 82 6.709 -0.853 -9.227 1.00 32.21 H new ATOM 1145 N ALA A 83 7.975 1.342 -7.848 1.00 4.13 N ATOM 1146 CA ALA A 83 7.858 2.695 -7.288 1.00 71.12 C ATOM 1147 C ALA A 83 9.237 3.299 -6.990 1.00 23.24 C ATOM 1148 O ALA A 83 9.531 4.432 -7.386 1.00 13.45 O ATOM 1149 CB ALA A 83 7.010 2.661 -6.024 1.00 71.43 C ATOM 0 H ALA A 83 7.470 0.629 -7.321 1.00 4.13 H new ATOM 0 HA ALA A 83 7.372 3.329 -8.030 1.00 71.12 H new ATOM 0 HB1 ALA A 83 6.927 3.668 -5.614 1.00 71.43 H new ATOM 0 HB2 ALA A 83 6.016 2.284 -6.263 1.00 71.43 H new ATOM 0 HB3 ALA A 83 7.479 2.007 -5.289 1.00 71.43 H new ATOM 1155 N SER A 84 10.081 2.529 -6.305 1.00 71.23 N ATOM 1156 CA SER A 84 11.432 2.981 -5.938 1.00 64.11 C ATOM 1157 C SER A 84 12.269 3.353 -7.171 1.00 44.11 C ATOM 1158 O SER A 84 12.997 4.343 -7.159 1.00 24.14 O ATOM 1159 CB SER A 84 12.159 1.898 -5.130 1.00 23.52 C ATOM 1160 OG SER A 84 13.471 2.307 -4.767 1.00 24.21 O ATOM 0 H SER A 84 9.857 1.585 -5.990 1.00 71.23 H new ATOM 0 HA SER A 84 11.315 3.876 -5.327 1.00 64.11 H new ATOM 0 HB2 SER A 84 11.587 1.669 -4.231 1.00 23.52 H new ATOM 0 HB3 SER A 84 12.213 0.981 -5.716 1.00 23.52 H new ATOM 0 HG SER A 84 13.905 1.595 -4.252 1.00 24.21 H new ATOM 1166 N SER A 85 12.160 2.556 -8.233 1.00 12.35 N ATOM 1167 CA SER A 85 12.899 2.818 -9.480 1.00 35.33 C ATOM 1168 C SER A 85 12.278 3.975 -10.283 1.00 62.30 C ATOM 1169 O SER A 85 12.991 4.800 -10.864 1.00 5.15 O ATOM 1170 CB SER A 85 12.942 1.557 -10.354 1.00 11.44 C ATOM 1171 OG SER A 85 13.619 1.799 -11.581 1.00 21.13 O ATOM 0 H SER A 85 11.570 1.724 -8.261 1.00 12.35 H new ATOM 0 HA SER A 85 13.912 3.104 -9.198 1.00 35.33 H new ATOM 0 HB2 SER A 85 13.443 0.754 -9.813 1.00 11.44 H new ATOM 0 HB3 SER A 85 11.926 1.219 -10.558 1.00 11.44 H new ATOM 0 HG SER A 85 13.632 0.978 -12.115 1.00 21.13 H new ATOM 1177 N ALA A 86 10.946 4.034 -10.307 1.00 71.12 N ATOM 1178 CA ALA A 86 10.218 5.047 -11.087 1.00 62.21 C ATOM 1179 C ALA A 86 10.464 6.472 -10.559 1.00 11.24 C ATOM 1180 O ALA A 86 10.553 7.423 -11.335 1.00 12.51 O ATOM 1181 CB ALA A 86 8.725 4.734 -11.094 1.00 5.33 C ATOM 0 H ALA A 86 10.343 3.391 -9.794 1.00 71.12 H new ATOM 0 HA ALA A 86 10.599 5.009 -12.108 1.00 62.21 H new ATOM 0 HB1 ALA A 86 8.197 5.491 -11.674 1.00 5.33 H new ATOM 0 HB2 ALA A 86 8.561 3.754 -11.541 1.00 5.33 H new ATOM 0 HB3 ALA A 86 8.349 4.733 -10.071 1.00 5.33 H new ATOM 1187 N GLY A 87 10.588 6.611 -9.241 1.00 31.43 N ATOM 1188 CA GLY A 87 10.802 7.928 -8.640 1.00 52.35 C ATOM 1189 C GLY A 87 9.850 8.229 -7.486 1.00 0.23 C ATOM 1190 O GLY A 87 9.668 9.386 -7.109 1.00 12.15 O ATOM 0 H GLY A 87 10.545 5.840 -8.575 1.00 31.43 H new ATOM 0 HA2 GLY A 87 11.829 7.993 -8.280 1.00 52.35 H new ATOM 0 HA3 GLY A 87 10.684 8.693 -9.407 1.00 52.35 H new ATOM 1194 N TYR A 88 9.229 7.189 -6.935 1.00 11.41 N ATOM 1195 CA TYR A 88 8.354 7.339 -5.771 1.00 72.40 C ATOM 1196 C TYR A 88 9.148 7.207 -4.463 1.00 40.15 C ATOM 1197 O TYR A 88 10.345 6.907 -4.468 1.00 31.22 O ATOM 1198 CB TYR A 88 7.226 6.297 -5.801 1.00 43.21 C ATOM 1199 CG TYR A 88 6.237 6.476 -6.942 1.00 33.44 C ATOM 1200 CD1 TYR A 88 6.555 6.085 -8.239 1.00 50.21 C ATOM 1201 CD2 TYR A 88 4.978 7.028 -6.716 1.00 42.33 C ATOM 1202 CE1 TYR A 88 5.651 6.239 -9.274 1.00 32.13 C ATOM 1203 CE2 TYR A 88 4.069 7.180 -7.747 1.00 51.24 C ATOM 1204 CZ TYR A 88 4.411 6.785 -9.023 1.00 4.01 C ATOM 1205 OH TYR A 88 3.503 6.926 -10.051 1.00 3.42 O ATOM 0 H TYR A 88 9.315 6.231 -7.275 1.00 11.41 H new ATOM 0 HA TYR A 88 7.916 8.336 -5.814 1.00 72.40 H new ATOM 0 HB2 TYR A 88 7.668 5.303 -5.872 1.00 43.21 H new ATOM 0 HB3 TYR A 88 6.684 6.339 -4.856 1.00 43.21 H new ATOM 0 HD1 TYR A 88 7.524 5.654 -8.441 1.00 50.21 H new ATOM 0 HD2 TYR A 88 4.707 7.342 -5.719 1.00 42.33 H new ATOM 0 HE1 TYR A 88 5.916 5.933 -10.275 1.00 32.13 H new ATOM 0 HE2 TYR A 88 3.096 7.606 -7.554 1.00 51.24 H new ATOM 0 HH TYR A 88 3.893 6.582 -10.882 1.00 3.42 H new ATOM 1215 N THR A 89 8.464 7.396 -3.343 1.00 41.33 N ATOM 1216 CA THR A 89 9.116 7.393 -2.023 1.00 75.14 C ATOM 1217 C THR A 89 8.832 6.089 -1.268 1.00 11.42 C ATOM 1218 O THR A 89 7.832 5.974 -0.557 1.00 34.22 O ATOM 1219 CB THR A 89 8.656 8.595 -1.158 1.00 45.11 C ATOM 1220 OG1 THR A 89 8.887 9.824 -1.866 1.00 51.13 O ATOM 1221 CG2 THR A 89 9.392 8.631 0.181 1.00 2.51 C ATOM 0 H THR A 89 7.457 7.554 -3.313 1.00 41.33 H new ATOM 0 HA THR A 89 10.188 7.478 -2.201 1.00 75.14 H new ATOM 0 HB THR A 89 7.591 8.477 -0.960 1.00 45.11 H new ATOM 0 HG1 THR A 89 8.593 10.579 -1.315 1.00 51.13 H new ATOM 0 HG21 THR A 89 9.047 9.485 0.763 1.00 2.51 H new ATOM 0 HG22 THR A 89 9.191 7.712 0.731 1.00 2.51 H new ATOM 0 HG23 THR A 89 10.464 8.722 0.005 1.00 2.51 H new ATOM 1229 N VAL A 90 9.709 5.102 -1.434 1.00 0.23 N ATOM 1230 CA VAL A 90 9.510 3.777 -0.830 1.00 71.12 C ATOM 1231 C VAL A 90 10.403 3.565 0.405 1.00 45.11 C ATOM 1232 O VAL A 90 11.633 3.571 0.309 1.00 50.30 O ATOM 1233 CB VAL A 90 9.786 2.652 -1.857 1.00 40.25 C ATOM 1234 CG1 VAL A 90 9.544 1.274 -1.242 1.00 3.23 C ATOM 1235 CG2 VAL A 90 8.930 2.850 -3.104 1.00 32.15 C ATOM 0 H VAL A 90 10.566 5.190 -1.981 1.00 0.23 H new ATOM 0 HA VAL A 90 8.468 3.734 -0.513 1.00 71.12 H new ATOM 0 HB VAL A 90 10.835 2.705 -2.147 1.00 40.25 H new ATOM 0 HG11 VAL A 90 9.746 0.503 -1.986 1.00 3.23 H new ATOM 0 HG12 VAL A 90 10.206 1.136 -0.387 1.00 3.23 H new ATOM 0 HG13 VAL A 90 8.507 1.199 -0.914 1.00 3.23 H new ATOM 0 HG21 VAL A 90 9.135 2.051 -3.817 1.00 32.15 H new ATOM 0 HG22 VAL A 90 7.876 2.829 -2.829 1.00 32.15 H new ATOM 0 HG23 VAL A 90 9.167 3.812 -3.559 1.00 32.15 H new ATOM 1245 N ASN A 91 9.771 3.375 1.560 1.00 32.33 N ATOM 1246 CA ASN A 91 10.488 3.089 2.808 1.00 21.24 C ATOM 1247 C ASN A 91 9.604 2.285 3.777 1.00 24.01 C ATOM 1248 O ASN A 91 8.461 1.958 3.458 1.00 10.15 O ATOM 1249 CB ASN A 91 10.972 4.393 3.464 1.00 65.11 C ATOM 1250 CG ASN A 91 9.852 5.378 3.765 1.00 64.54 C ATOM 1251 OD1 ASN A 91 8.710 5.000 4.006 1.00 3.04 O ATOM 1252 ND2 ASN A 91 10.176 6.655 3.772 1.00 65.34 N ATOM 0 H ASN A 91 8.757 3.414 1.662 1.00 32.33 H new ATOM 0 HA ASN A 91 11.361 2.482 2.568 1.00 21.24 H new ATOM 0 HB2 ASN A 91 11.491 4.152 4.392 1.00 65.11 H new ATOM 0 HB3 ASN A 91 11.698 4.872 2.807 1.00 65.11 H new ATOM 0 HD21 ASN A 91 9.469 7.359 3.982 1.00 65.34 H new ATOM 0 HD22 ASN A 91 11.134 6.939 3.568 1.00 65.34 H new ATOM 1259 N ASN A 92 10.134 1.967 4.959 1.00 44.02 N ATOM 1260 CA ASN A 92 9.381 1.186 5.953 1.00 34.12 C ATOM 1261 C ASN A 92 8.611 2.086 6.932 1.00 12.41 C ATOM 1262 O ASN A 92 8.072 1.608 7.929 1.00 71.32 O ATOM 1263 CB ASN A 92 10.321 0.245 6.715 1.00 24.15 C ATOM 1264 CG ASN A 92 10.900 -0.835 5.818 1.00 34.03 C ATOM 1265 OD1 ASN A 92 11.973 -0.677 5.240 1.00 3.03 O ATOM 1266 ND2 ASN A 92 10.189 -1.936 5.679 1.00 0.43 N ATOM 0 H ASN A 92 11.073 2.233 5.254 1.00 44.02 H new ATOM 0 HA ASN A 92 8.644 0.593 5.411 1.00 34.12 H new ATOM 0 HB2 ASN A 92 11.133 0.823 7.156 1.00 24.15 H new ATOM 0 HB3 ASN A 92 9.778 -0.220 7.538 1.00 24.15 H new ATOM 0 HD21 ASN A 92 10.526 -2.688 5.078 1.00 0.43 H new ATOM 0 HD22 ASN A 92 9.302 -2.036 6.173 1.00 0.43 H new ATOM 1273 N SER A 93 8.553 3.385 6.637 1.00 71.41 N ATOM 1274 CA SER A 93 7.775 4.329 7.450 1.00 64.25 C ATOM 1275 C SER A 93 6.271 4.120 7.216 1.00 23.21 C ATOM 1276 O SER A 93 5.762 4.407 6.130 1.00 1.24 O ATOM 1277 CB SER A 93 8.162 5.776 7.114 1.00 3.12 C ATOM 1278 OG SER A 93 9.564 5.976 7.241 1.00 74.53 O ATOM 0 H SER A 93 9.033 3.810 5.844 1.00 71.41 H new ATOM 0 HA SER A 93 7.999 4.143 8.500 1.00 64.25 H new ATOM 0 HB2 SER A 93 7.849 6.012 6.097 1.00 3.12 H new ATOM 0 HB3 SER A 93 7.633 6.460 7.777 1.00 3.12 H new ATOM 0 HG SER A 93 9.783 6.905 7.020 1.00 74.53 H new ATOM 1284 N PRO A 94 5.536 3.626 8.230 1.00 51.53 N ATOM 1285 CA PRO A 94 4.133 3.194 8.066 1.00 62.52 C ATOM 1286 C PRO A 94 3.105 4.335 7.987 1.00 23.41 C ATOM 1287 O PRO A 94 1.909 4.072 7.877 1.00 33.22 O ATOM 1288 CB PRO A 94 3.897 2.354 9.327 1.00 2.44 C ATOM 1289 CG PRO A 94 4.774 2.980 10.359 1.00 41.21 C ATOM 1290 CD PRO A 94 6.008 3.439 9.622 1.00 13.30 C ATOM 0 HA PRO A 94 3.996 2.672 7.119 1.00 62.52 H new ATOM 0 HB2 PRO A 94 2.850 2.376 9.629 1.00 2.44 H new ATOM 0 HB3 PRO A 94 4.160 1.309 9.163 1.00 2.44 H new ATOM 0 HG2 PRO A 94 4.272 3.818 10.843 1.00 41.21 H new ATOM 0 HG3 PRO A 94 5.029 2.266 11.142 1.00 41.21 H new ATOM 0 HD2 PRO A 94 6.402 4.366 10.039 1.00 13.30 H new ATOM 0 HD3 PRO A 94 6.806 2.699 9.678 1.00 13.30 H new ATOM 1298 N GLU A 95 3.564 5.587 8.032 1.00 30.35 N ATOM 1299 CA GLU A 95 2.664 6.754 8.059 1.00 24.33 C ATOM 1300 C GLU A 95 1.530 6.662 7.016 1.00 2.10 C ATOM 1301 O GLU A 95 1.747 6.273 5.864 1.00 20.13 O ATOM 1302 CB GLU A 95 3.466 8.050 7.870 1.00 53.23 C ATOM 1303 CG GLU A 95 2.625 9.320 7.987 1.00 15.34 C ATOM 1304 CD GLU A 95 3.461 10.564 8.250 1.00 60.43 C ATOM 1305 OE1 GLU A 95 3.716 10.864 9.440 1.00 11.55 O ATOM 1306 OE2 GLU A 95 3.869 11.237 7.280 1.00 54.31 O ATOM 0 H GLU A 95 4.556 5.825 8.051 1.00 30.35 H new ATOM 0 HA GLU A 95 2.187 6.763 9.039 1.00 24.33 H new ATOM 0 HB2 GLU A 95 4.263 8.084 8.612 1.00 53.23 H new ATOM 0 HB3 GLU A 95 3.943 8.031 6.890 1.00 53.23 H new ATOM 0 HG2 GLU A 95 2.056 9.459 7.067 1.00 15.34 H new ATOM 0 HG3 GLU A 95 1.902 9.198 8.793 1.00 15.34 H new ATOM 1313 N ALA A 96 0.320 7.038 7.445 1.00 42.32 N ATOM 1314 CA ALA A 96 -0.906 6.866 6.651 1.00 72.15 C ATOM 1315 C ALA A 96 -0.916 7.696 5.354 1.00 62.01 C ATOM 1316 O ALA A 96 -0.024 8.509 5.106 1.00 44.23 O ATOM 1317 CB ALA A 96 -2.123 7.208 7.506 1.00 13.41 C ATOM 0 H ALA A 96 0.161 7.471 8.355 1.00 42.32 H new ATOM 0 HA ALA A 96 -0.941 5.821 6.345 1.00 72.15 H new ATOM 0 HB1 ALA A 96 -3.030 7.080 6.915 1.00 13.41 H new ATOM 0 HB2 ALA A 96 -2.157 6.546 8.372 1.00 13.41 H new ATOM 0 HB3 ALA A 96 -2.052 8.242 7.842 1.00 13.41 H new ATOM 1323 N GLY A 97 -1.949 7.488 4.534 1.00 42.13 N ATOM 1324 CA GLY A 97 -2.041 8.166 3.243 1.00 30.24 C ATOM 1325 C GLY A 97 -1.054 7.611 2.221 1.00 41.40 C ATOM 1326 O GLY A 97 -0.514 8.348 1.393 1.00 34.45 O ATOM 0 H GLY A 97 -2.726 6.861 4.740 1.00 42.13 H new ATOM 0 HA2 GLY A 97 -3.055 8.067 2.855 1.00 30.24 H new ATOM 0 HA3 GLY A 97 -1.856 9.231 3.381 1.00 30.24 H new ATOM 1330 N SER A 98 -0.820 6.304 2.282 1.00 51.34 N ATOM 1331 CA SER A 98 0.153 5.632 1.407 1.00 50.24 C ATOM 1332 C SER A 98 -0.225 4.159 1.208 1.00 44.33 C ATOM 1333 O SER A 98 -1.255 3.704 1.700 1.00 3.30 O ATOM 1334 CB SER A 98 1.569 5.741 1.998 1.00 62.02 C ATOM 1335 OG SER A 98 2.018 7.091 2.033 1.00 10.21 O ATOM 0 H SER A 98 -1.293 5.678 2.933 1.00 51.34 H new ATOM 0 HA SER A 98 0.139 6.127 0.436 1.00 50.24 H new ATOM 0 HB2 SER A 98 1.576 5.328 3.007 1.00 62.02 H new ATOM 0 HB3 SER A 98 2.259 5.142 1.404 1.00 62.02 H new ATOM 0 HG SER A 98 2.733 7.181 2.698 1.00 10.21 H new ATOM 1341 N ILE A 99 0.611 3.417 0.484 1.00 42.22 N ATOM 1342 CA ILE A 99 0.320 2.014 0.148 1.00 1.34 C ATOM 1343 C ILE A 99 1.427 1.074 0.652 1.00 52.41 C ATOM 1344 O ILE A 99 2.600 1.311 0.393 1.00 24.31 O ATOM 1345 CB ILE A 99 0.195 1.853 -1.387 1.00 34.55 C ATOM 1346 CG1 ILE A 99 -0.806 2.874 -1.957 1.00 51.15 C ATOM 1347 CG2 ILE A 99 -0.218 0.426 -1.748 1.00 3.33 C ATOM 1348 CD1 ILE A 99 -0.762 2.991 -3.463 1.00 51.21 C ATOM 0 H ILE A 99 1.498 3.760 0.116 1.00 42.22 H new ATOM 0 HA ILE A 99 -0.618 1.748 0.635 1.00 1.34 H new ATOM 0 HB ILE A 99 1.170 2.046 -1.834 1.00 34.55 H new ATOM 0 HG12 ILE A 99 -1.814 2.591 -1.653 1.00 51.15 H new ATOM 0 HG13 ILE A 99 -0.604 3.852 -1.519 1.00 51.15 H new ATOM 0 HG21 ILE A 99 -0.300 0.334 -2.831 1.00 3.33 H new ATOM 0 HG22 ILE A 99 0.532 -0.274 -1.380 1.00 3.33 H new ATOM 0 HG23 ILE A 99 -1.181 0.199 -1.290 1.00 3.33 H new ATOM 0 HD11 ILE A 99 -1.494 3.728 -3.792 1.00 51.21 H new ATOM 0 HD12 ILE A 99 0.234 3.305 -3.775 1.00 51.21 H new ATOM 0 HD13 ILE A 99 -0.994 2.024 -3.910 1.00 51.21 H new ATOM 1360 N LEU A 100 1.067 0.008 1.367 1.00 4.43 N ATOM 1361 CA LEU A 100 2.077 -0.967 1.816 1.00 72.14 C ATOM 1362 C LEU A 100 2.120 -2.183 0.879 1.00 14.10 C ATOM 1363 O LEU A 100 1.084 -2.730 0.500 1.00 3.30 O ATOM 1364 CB LEU A 100 1.846 -1.416 3.276 1.00 74.34 C ATOM 1365 CG LEU A 100 0.749 -2.469 3.522 1.00 72.24 C ATOM 1366 CD1 LEU A 100 0.802 -2.961 4.967 1.00 74.42 C ATOM 1367 CD2 LEU A 100 -0.631 -1.911 3.202 1.00 13.44 C ATOM 0 H LEU A 100 0.109 -0.205 1.646 1.00 4.43 H new ATOM 0 HA LEU A 100 3.043 -0.463 1.780 1.00 72.14 H new ATOM 0 HB2 LEU A 100 2.786 -1.811 3.661 1.00 74.34 H new ATOM 0 HB3 LEU A 100 1.605 -0.533 3.867 1.00 74.34 H new ATOM 0 HG LEU A 100 0.934 -3.311 2.855 1.00 72.24 H new ATOM 0 HD11 LEU A 100 0.021 -3.705 5.127 1.00 74.42 H new ATOM 0 HD12 LEU A 100 1.776 -3.409 5.163 1.00 74.42 H new ATOM 0 HD13 LEU A 100 0.647 -2.121 5.643 1.00 74.42 H new ATOM 0 HD21 LEU A 100 -1.385 -2.677 3.385 1.00 13.44 H new ATOM 0 HD22 LEU A 100 -0.830 -1.047 3.836 1.00 13.44 H new ATOM 0 HD23 LEU A 100 -0.668 -1.609 2.155 1.00 13.44 H new ATOM 1379 N GLN A 101 3.329 -2.582 0.496 1.00 22.12 N ATOM 1380 CA GLN A 101 3.527 -3.722 -0.401 1.00 54.12 C ATOM 1381 C GLN A 101 3.948 -4.963 0.400 1.00 72.03 C ATOM 1382 O GLN A 101 5.081 -5.053 0.879 1.00 45.41 O ATOM 1383 CB GLN A 101 4.582 -3.365 -1.466 1.00 72.45 C ATOM 1384 CG GLN A 101 4.460 -4.158 -2.766 1.00 1.22 C ATOM 1385 CD GLN A 101 4.917 -5.602 -2.652 1.00 43.32 C ATOM 1386 OE1 GLN A 101 4.145 -6.487 -2.301 1.00 10.31 O ATOM 1387 NE2 GLN A 101 6.169 -5.857 -2.977 1.00 4.21 N ATOM 0 H GLN A 101 4.194 -2.131 0.794 1.00 22.12 H new ATOM 0 HA GLN A 101 2.589 -3.953 -0.906 1.00 54.12 H new ATOM 0 HB2 GLN A 101 4.505 -2.302 -1.694 1.00 72.45 H new ATOM 0 HB3 GLN A 101 5.574 -3.529 -1.046 1.00 72.45 H new ATOM 0 HG2 GLN A 101 3.421 -4.141 -3.094 1.00 1.22 H new ATOM 0 HG3 GLN A 101 5.046 -3.662 -3.539 1.00 1.22 H new ATOM 0 HE21 GLN A 101 6.786 -5.098 -3.265 1.00 4.21 H new ATOM 0 HE22 GLN A 101 6.521 -6.814 -2.940 1.00 4.21 H new ATOM 1396 N SER A 102 3.022 -5.902 0.551 1.00 31.24 N ATOM 1397 CA SER A 102 3.250 -7.115 1.345 1.00 42.44 C ATOM 1398 C SER A 102 3.606 -8.310 0.451 1.00 75.21 C ATOM 1399 O SER A 102 2.791 -8.762 -0.353 1.00 75.40 O ATOM 1400 CB SER A 102 1.997 -7.446 2.169 1.00 1.14 C ATOM 1401 OG SER A 102 1.602 -6.343 2.972 1.00 44.13 O ATOM 0 H SER A 102 2.094 -5.850 0.131 1.00 31.24 H new ATOM 0 HA SER A 102 4.090 -6.924 2.012 1.00 42.44 H new ATOM 0 HB2 SER A 102 1.182 -7.722 1.500 1.00 1.14 H new ATOM 0 HB3 SER A 102 2.194 -8.309 2.805 1.00 1.14 H new ATOM 0 HG SER A 102 2.318 -6.126 3.605 1.00 44.13 H new ATOM 1466 N GLY A 108 1.849 -10.974 -4.460 1.00 55.34 N ATOM 1467 CA GLY A 108 1.938 -9.749 -3.678 1.00 61.32 C ATOM 1468 C GLY A 108 0.599 -9.319 -3.089 1.00 53.23 C ATOM 1469 O GLY A 108 -0.459 -9.759 -3.535 1.00 72.41 O ATOM 0 HA2 GLY A 108 2.655 -9.892 -2.870 1.00 61.32 H new ATOM 0 HA3 GLY A 108 2.325 -8.949 -4.309 1.00 61.32 H new ATOM 1473 N HIS A 109 0.643 -8.452 -2.085 1.00 61.35 N ATOM 1474 CA HIS A 109 -0.575 -7.912 -1.472 1.00 62.44 C ATOM 1475 C HIS A 109 -0.396 -6.436 -1.096 1.00 51.24 C ATOM 1476 O HIS A 109 0.360 -6.102 -0.184 1.00 61.25 O ATOM 1477 CB HIS A 109 -0.966 -8.732 -0.233 1.00 61.14 C ATOM 1478 CG HIS A 109 -2.155 -8.179 0.498 1.00 45.51 C ATOM 1479 ND1 HIS A 109 -3.347 -7.956 -0.145 1.00 60.33 N ATOM 1480 CD2 HIS A 109 -2.275 -7.801 1.796 1.00 43.12 C ATOM 1481 CE1 HIS A 109 -4.160 -7.454 0.766 1.00 63.31 C ATOM 1482 NE2 HIS A 109 -3.557 -7.341 1.957 1.00 64.00 N ATOM 0 H HIS A 109 1.509 -8.104 -1.674 1.00 61.35 H new ATOM 0 HA HIS A 109 -1.378 -7.982 -2.206 1.00 62.44 H new ATOM 0 HB2 HIS A 109 -1.180 -9.756 -0.537 1.00 61.14 H new ATOM 0 HB3 HIS A 109 -0.117 -8.773 0.449 1.00 61.14 H new ATOM 0 HD2 HIS A 109 -1.509 -7.852 2.555 1.00 43.12 H new ATOM 0 HE1 HIS A 109 -5.184 -7.170 0.575 1.00 63.31 H new ATOM 0 HE2 HIS A 109 -3.971 -6.982 2.817 1.00 64.00 H new ATOM 1490 N VAL A 110 -1.091 -5.555 -1.810 1.00 53.02 N ATOM 1491 CA VAL A 110 -1.013 -4.113 -1.552 1.00 2.25 C ATOM 1492 C VAL A 110 -2.336 -3.572 -0.989 1.00 32.11 C ATOM 1493 O VAL A 110 -3.416 -4.034 -1.357 1.00 62.32 O ATOM 1494 CB VAL A 110 -0.641 -3.323 -2.837 1.00 3.32 C ATOM 1495 CG1 VAL A 110 0.772 -3.679 -3.297 1.00 72.14 C ATOM 1496 CG2 VAL A 110 -1.657 -3.574 -3.955 1.00 13.35 C ATOM 0 H VAL A 110 -1.717 -5.811 -2.574 1.00 53.02 H new ATOM 0 HA VAL A 110 -0.227 -3.971 -0.811 1.00 2.25 H new ATOM 0 HB VAL A 110 -0.667 -2.260 -2.597 1.00 3.32 H new ATOM 0 HG11 VAL A 110 1.014 -3.116 -4.198 1.00 72.14 H new ATOM 0 HG12 VAL A 110 1.484 -3.429 -2.511 1.00 72.14 H new ATOM 0 HG13 VAL A 110 0.827 -4.746 -3.511 1.00 72.14 H new ATOM 0 HG21 VAL A 110 -1.370 -3.008 -4.841 1.00 13.35 H new ATOM 0 HG22 VAL A 110 -1.679 -4.637 -4.195 1.00 13.35 H new ATOM 0 HG23 VAL A 110 -2.646 -3.256 -3.626 1.00 13.35 H new ATOM 1506 N ALA A 111 -2.239 -2.591 -0.095 1.00 51.24 N ATOM 1507 CA ALA A 111 -3.423 -1.954 0.493 1.00 15.31 C ATOM 1508 C ALA A 111 -3.136 -0.500 0.891 1.00 73.53 C ATOM 1509 O ALA A 111 -1.982 -0.113 1.095 1.00 73.33 O ATOM 1510 CB ALA A 111 -3.913 -2.753 1.698 1.00 35.44 C ATOM 0 H ALA A 111 -1.352 -2.216 0.241 1.00 51.24 H new ATOM 0 HA ALA A 111 -4.208 -1.942 -0.263 1.00 15.31 H new ATOM 0 HB1 ALA A 111 -4.792 -2.268 2.123 1.00 35.44 H new ATOM 0 HB2 ALA A 111 -4.173 -3.764 1.383 1.00 35.44 H new ATOM 0 HB3 ALA A 111 -3.125 -2.799 2.449 1.00 35.44 H new ATOM 1516 N TYR A 112 -4.190 0.305 0.999 1.00 41.00 N ATOM 1517 CA TYR A 112 -4.045 1.720 1.358 1.00 13.10 C ATOM 1518 C TYR A 112 -4.126 1.910 2.883 1.00 20.42 C ATOM 1519 O TYR A 112 -5.041 1.403 3.535 1.00 1.31 O ATOM 1520 CB TYR A 112 -5.123 2.554 0.654 1.00 73.32 C ATOM 1521 CG TYR A 112 -4.963 4.059 0.825 1.00 64.15 C ATOM 1522 CD1 TYR A 112 -4.115 4.789 -0.003 1.00 11.22 C ATOM 1523 CD2 TYR A 112 -5.666 4.748 1.808 1.00 23.32 C ATOM 1524 CE1 TYR A 112 -3.977 6.157 0.144 1.00 62.32 C ATOM 1525 CE2 TYR A 112 -5.531 6.115 1.961 1.00 31.31 C ATOM 1526 CZ TYR A 112 -4.685 6.813 1.128 1.00 71.40 C ATOM 1527 OH TYR A 112 -4.550 8.175 1.274 1.00 73.13 O ATOM 0 H TYR A 112 -5.153 0.006 0.844 1.00 41.00 H new ATOM 0 HA TYR A 112 -3.064 2.062 1.028 1.00 13.10 H new ATOM 0 HB2 TYR A 112 -5.111 2.318 -0.410 1.00 73.32 H new ATOM 0 HB3 TYR A 112 -6.101 2.259 1.035 1.00 73.32 H new ATOM 0 HD1 TYR A 112 -3.556 4.278 -0.773 1.00 11.22 H new ATOM 0 HD2 TYR A 112 -6.330 4.204 2.464 1.00 23.32 H new ATOM 0 HE1 TYR A 112 -3.317 6.709 -0.509 1.00 62.32 H new ATOM 0 HE2 TYR A 112 -6.086 6.633 2.729 1.00 31.31 H new ATOM 0 HH TYR A 112 -5.117 8.483 2.012 1.00 73.13 H new ATOM 1537 N VAL A 113 -3.165 2.646 3.438 1.00 44.40 N ATOM 1538 CA VAL A 113 -3.069 2.838 4.891 1.00 4.52 C ATOM 1539 C VAL A 113 -3.984 3.968 5.387 1.00 34.32 C ATOM 1540 O VAL A 113 -3.776 5.141 5.062 1.00 1.21 O ATOM 1541 CB VAL A 113 -1.610 3.142 5.319 1.00 45.23 C ATOM 1542 CG1 VAL A 113 -1.491 3.220 6.843 1.00 23.33 C ATOM 1543 CG2 VAL A 113 -0.651 2.099 4.750 1.00 24.43 C ATOM 0 H VAL A 113 -2.438 3.122 2.905 1.00 44.40 H new ATOM 0 HA VAL A 113 -3.396 1.903 5.347 1.00 4.52 H new ATOM 0 HB VAL A 113 -1.334 4.115 4.912 1.00 45.23 H new ATOM 0 HG11 VAL A 113 -0.458 3.434 7.117 1.00 23.33 H new ATOM 0 HG12 VAL A 113 -2.138 4.013 7.218 1.00 23.33 H new ATOM 0 HG13 VAL A 113 -1.792 2.268 7.281 1.00 23.33 H new ATOM 0 HG21 VAL A 113 0.367 2.332 5.063 1.00 24.43 H new ATOM 0 HG22 VAL A 113 -0.927 1.111 5.119 1.00 24.43 H new ATOM 0 HG23 VAL A 113 -0.707 2.108 3.661 1.00 24.43 H new ATOM 1553 N GLU A 114 -4.979 3.600 6.192 1.00 52.12 N ATOM 1554 CA GLU A 114 -5.943 4.560 6.745 1.00 5.21 C ATOM 1555 C GLU A 114 -5.353 5.328 7.939 1.00 22.32 C ATOM 1556 O GLU A 114 -5.394 6.561 7.992 1.00 40.53 O ATOM 1557 CB GLU A 114 -7.213 3.818 7.193 1.00 54.14 C ATOM 1558 CG GLU A 114 -7.895 3.010 6.090 1.00 21.05 C ATOM 1559 CD GLU A 114 -8.493 3.879 4.993 1.00 4.53 C ATOM 1560 OE1 GLU A 114 -7.790 4.177 4.009 1.00 73.41 O ATOM 1561 OE2 GLU A 114 -9.684 4.254 5.099 1.00 70.52 O ATOM 0 H GLU A 114 -5.143 2.635 6.480 1.00 52.12 H new ATOM 0 HA GLU A 114 -6.185 5.280 5.963 1.00 5.21 H new ATOM 0 HB2 GLU A 114 -6.957 3.147 8.013 1.00 54.14 H new ATOM 0 HB3 GLU A 114 -7.924 4.545 7.587 1.00 54.14 H new ATOM 0 HG2 GLU A 114 -7.170 2.326 5.648 1.00 21.05 H new ATOM 0 HG3 GLU A 114 -8.683 2.399 6.530 1.00 21.05 H new ATOM 1568 N ASN A 115 -4.801 4.585 8.899 1.00 63.42 N ATOM 1569 CA ASN A 115 -4.269 5.176 10.130 1.00 50.51 C ATOM 1570 C ASN A 115 -3.239 4.257 10.807 1.00 63.52 C ATOM 1571 O ASN A 115 -3.292 3.034 10.679 1.00 32.41 O ATOM 1572 CB ASN A 115 -5.420 5.491 11.100 1.00 23.34 C ATOM 1573 CG ASN A 115 -4.924 5.994 12.446 1.00 25.30 C ATOM 1574 OD1 ASN A 115 -4.652 7.177 12.619 1.00 61.43 O ATOM 1575 ND2 ASN A 115 -4.808 5.103 13.412 1.00 4.14 N ATOM 0 H ASN A 115 -4.710 3.570 8.849 1.00 63.42 H new ATOM 0 HA ASN A 115 -3.757 6.100 9.862 1.00 50.51 H new ATOM 0 HB2 ASN A 115 -6.073 6.241 10.653 1.00 23.34 H new ATOM 0 HB3 ASN A 115 -6.021 4.594 11.250 1.00 23.34 H new ATOM 0 HD21 ASN A 115 -4.484 5.391 14.335 1.00 4.14 H new ATOM 0 HD22 ASN A 115 -5.042 4.126 13.236 1.00 4.14 H new ATOM 1582 N VAL A 116 -2.293 4.867 11.516 1.00 52.23 N ATOM 1583 CA VAL A 116 -1.285 4.132 12.287 1.00 40.23 C ATOM 1584 C VAL A 116 -1.262 4.622 13.741 1.00 64.24 C ATOM 1585 O VAL A 116 -1.144 5.821 13.998 1.00 3.10 O ATOM 1586 CB VAL A 116 0.128 4.290 11.670 1.00 22.13 C ATOM 1587 CG1 VAL A 116 1.177 3.552 12.504 1.00 31.03 C ATOM 1588 CG2 VAL A 116 0.138 3.791 10.230 1.00 44.54 C ATOM 0 H VAL A 116 -2.201 5.881 11.575 1.00 52.23 H new ATOM 0 HA VAL A 116 -1.559 3.077 12.260 1.00 40.23 H new ATOM 0 HB VAL A 116 0.383 5.350 11.672 1.00 22.13 H new ATOM 0 HG11 VAL A 116 2.159 3.679 12.049 1.00 31.03 H new ATOM 0 HG12 VAL A 116 1.190 3.959 13.515 1.00 31.03 H new ATOM 0 HG13 VAL A 116 0.930 2.491 12.543 1.00 31.03 H new ATOM 0 HG21 VAL A 116 1.137 3.909 9.811 1.00 44.54 H new ATOM 0 HG22 VAL A 116 -0.143 2.738 10.208 1.00 44.54 H new ATOM 0 HG23 VAL A 116 -0.573 4.369 9.640 1.00 44.54 H new ATOM 1598 N ASN A 117 -1.370 3.696 14.687 1.00 73.31 N ATOM 1599 CA ASN A 117 -1.419 4.050 16.110 1.00 34.20 C ATOM 1600 C ASN A 117 -0.022 4.048 16.748 1.00 74.55 C ATOM 1601 O ASN A 117 0.847 3.263 16.365 1.00 22.41 O ATOM 1602 CB ASN A 117 -2.334 3.080 16.862 1.00 54.40 C ATOM 1603 CG ASN A 117 -3.741 3.069 16.298 1.00 42.42 C ATOM 1604 OD1 ASN A 117 -4.598 3.846 16.709 1.00 71.42 O ATOM 1605 ND2 ASN A 117 -3.994 2.183 15.359 1.00 44.24 N ATOM 0 H ASN A 117 -1.426 2.695 14.500 1.00 73.31 H new ATOM 0 HA ASN A 117 -1.818 5.062 16.183 1.00 34.20 H new ATOM 0 HB2 ASN A 117 -1.916 2.075 16.811 1.00 54.40 H new ATOM 0 HB3 ASN A 117 -2.368 3.358 17.915 1.00 54.40 H new ATOM 0 HD21 ASN A 117 -4.926 2.127 14.949 1.00 44.24 H new ATOM 0 HD22 ASN A 117 -3.258 1.553 15.041 1.00 44.24 H new ATOM 1612 N SER A 118 0.178 4.918 17.738 1.00 53.24 N ATOM 1613 CA SER A 118 1.451 5.001 18.471 1.00 32.44 C ATOM 1614 C SER A 118 1.746 3.708 19.248 1.00 73.41 C ATOM 1615 O SER A 118 2.877 3.478 19.678 1.00 25.55 O ATOM 1616 CB SER A 118 1.446 6.202 19.430 1.00 63.04 C ATOM 1617 OG SER A 118 1.392 7.433 18.715 1.00 21.22 O ATOM 0 H SER A 118 -0.528 5.582 18.056 1.00 53.24 H new ATOM 0 HA SER A 118 2.242 5.137 17.733 1.00 32.44 H new ATOM 0 HB2 SER A 118 0.590 6.131 20.101 1.00 63.04 H new ATOM 0 HB3 SER A 118 2.341 6.178 20.051 1.00 63.04 H new ATOM 0 HG SER A 118 1.388 8.180 19.349 1.00 21.22 H new ATOM 1623 N ASP A 119 0.727 2.869 19.431 1.00 72.03 N ATOM 1624 CA ASP A 119 0.909 1.542 20.036 1.00 65.15 C ATOM 1625 C ASP A 119 1.651 0.585 19.080 1.00 60.41 C ATOM 1626 O ASP A 119 1.991 -0.540 19.450 1.00 30.10 O ATOM 1627 CB ASP A 119 -0.449 0.938 20.417 1.00 64.24 C ATOM 1628 CG ASP A 119 -1.234 1.813 21.377 1.00 32.42 C ATOM 1629 OD1 ASP A 119 -1.042 1.685 22.606 1.00 75.15 O ATOM 1630 OD2 ASP A 119 -2.050 2.629 20.906 1.00 23.13 O ATOM 0 H ASP A 119 -0.236 3.081 19.170 1.00 72.03 H new ATOM 0 HA ASP A 119 1.514 1.669 20.934 1.00 65.15 H new ATOM 0 HB2 ASP A 119 -1.037 0.780 19.513 1.00 64.24 H new ATOM 0 HB3 ASP A 119 -0.292 -0.041 20.871 1.00 64.24 H new ATOM 1635 N GLY A 120 1.886 1.037 17.847 1.00 45.11 N ATOM 1636 CA GLY A 120 2.583 0.219 16.859 1.00 52.54 C ATOM 1637 C GLY A 120 1.643 -0.674 16.055 1.00 54.22 C ATOM 1638 O GLY A 120 1.767 -1.899 16.075 1.00 24.20 O ATOM 0 H GLY A 120 1.605 1.959 17.512 1.00 45.11 H new ATOM 0 HA2 GLY A 120 3.129 0.870 16.176 1.00 52.54 H new ATOM 0 HA3 GLY A 120 3.321 -0.403 17.366 1.00 52.54 H new ATOM 1642 N SER A 121 0.696 -0.066 15.342 1.00 63.22 N ATOM 1643 CA SER A 121 -0.265 -0.826 14.531 1.00 42.23 C ATOM 1644 C SER A 121 -0.647 -0.072 13.251 1.00 1.31 C ATOM 1645 O SER A 121 -0.949 1.123 13.287 1.00 63.20 O ATOM 1646 CB SER A 121 -1.531 -1.138 15.337 1.00 55.12 C ATOM 1647 OG SER A 121 -2.187 0.052 15.758 1.00 64.11 O ATOM 0 H SER A 121 0.571 0.946 15.307 1.00 63.22 H new ATOM 0 HA SER A 121 0.223 -1.759 14.249 1.00 42.23 H new ATOM 0 HB2 SER A 121 -2.212 -1.735 14.730 1.00 55.12 H new ATOM 0 HB3 SER A 121 -1.270 -1.739 16.208 1.00 55.12 H new ATOM 0 HG SER A 121 -2.991 -0.181 16.268 1.00 64.11 H new ATOM 1653 N VAL A 122 -0.637 -0.783 12.127 1.00 73.22 N ATOM 1654 CA VAL A 122 -0.961 -0.197 10.819 1.00 0.00 C ATOM 1655 C VAL A 122 -2.340 -0.671 10.322 1.00 40.44 C ATOM 1656 O VAL A 122 -2.536 -1.851 10.027 1.00 0.50 O ATOM 1657 CB VAL A 122 0.117 -0.565 9.769 1.00 21.12 C ATOM 1658 CG1 VAL A 122 -0.175 0.092 8.419 1.00 30.42 C ATOM 1659 CG2 VAL A 122 1.508 -0.184 10.274 1.00 53.40 C ATOM 0 H VAL A 122 -0.406 -1.776 12.091 1.00 73.22 H new ATOM 0 HA VAL A 122 -0.985 0.885 10.945 1.00 0.00 H new ATOM 0 HB VAL A 122 0.089 -1.645 9.621 1.00 21.12 H new ATOM 0 HG11 VAL A 122 0.599 -0.186 7.704 1.00 30.42 H new ATOM 0 HG12 VAL A 122 -1.145 -0.245 8.053 1.00 30.42 H new ATOM 0 HG13 VAL A 122 -0.188 1.176 8.537 1.00 30.42 H new ATOM 0 HG21 VAL A 122 2.253 -0.450 9.524 1.00 53.40 H new ATOM 0 HG22 VAL A 122 1.546 0.889 10.459 1.00 53.40 H new ATOM 0 HG23 VAL A 122 1.718 -0.720 11.200 1.00 53.40 H new ATOM 1669 N GLU A 123 -3.288 0.255 10.232 1.00 75.11 N ATOM 1670 CA GLU A 123 -4.660 -0.062 9.822 1.00 54.02 C ATOM 1671 C GLU A 123 -4.882 0.276 8.337 1.00 13.03 C ATOM 1672 O GLU A 123 -4.752 1.432 7.929 1.00 1.44 O ATOM 1673 CB GLU A 123 -5.646 0.709 10.715 1.00 40.22 C ATOM 1674 CG GLU A 123 -5.375 0.511 12.207 1.00 73.44 C ATOM 1675 CD GLU A 123 -6.368 1.226 13.106 1.00 3.51 C ATOM 1676 OE1 GLU A 123 -6.136 2.405 13.449 1.00 2.24 O ATOM 1677 OE2 GLU A 123 -7.378 0.600 13.495 1.00 43.34 O ATOM 0 H GLU A 123 -3.134 1.242 10.439 1.00 75.11 H new ATOM 0 HA GLU A 123 -4.831 -1.132 9.941 1.00 54.02 H new ATOM 0 HB2 GLU A 123 -5.589 1.771 10.478 1.00 40.22 H new ATOM 0 HB3 GLU A 123 -6.662 0.386 10.489 1.00 40.22 H new ATOM 0 HG2 GLU A 123 -5.395 -0.555 12.433 1.00 73.44 H new ATOM 0 HG3 GLU A 123 -4.370 0.866 12.435 1.00 73.44 H new ATOM 1684 N VAL A 124 -5.212 -0.741 7.532 1.00 60.40 N ATOM 1685 CA VAL A 124 -5.338 -0.578 6.071 1.00 64.14 C ATOM 1686 C VAL A 124 -6.669 -1.137 5.531 1.00 53.12 C ATOM 1687 O VAL A 124 -7.198 -2.121 6.056 1.00 4.52 O ATOM 1688 CB VAL A 124 -4.161 -1.271 5.328 1.00 64.34 C ATOM 1689 CG1 VAL A 124 -2.816 -0.773 5.850 1.00 11.10 C ATOM 1690 CG2 VAL A 124 -4.250 -2.792 5.441 1.00 2.30 C ATOM 0 H VAL A 124 -5.398 -1.688 7.864 1.00 60.40 H new ATOM 0 HA VAL A 124 -5.313 0.495 5.882 1.00 64.14 H new ATOM 0 HB VAL A 124 -4.239 -1.007 4.273 1.00 64.34 H new ATOM 0 HG11 VAL A 124 -2.010 -1.273 5.314 1.00 11.10 H new ATOM 0 HG12 VAL A 124 -2.742 0.303 5.695 1.00 11.10 H new ATOM 0 HG13 VAL A 124 -2.735 -0.993 6.915 1.00 11.10 H new ATOM 0 HG21 VAL A 124 -3.413 -3.246 4.911 1.00 2.30 H new ATOM 0 HG22 VAL A 124 -4.214 -3.082 6.491 1.00 2.30 H new ATOM 0 HG23 VAL A 124 -5.187 -3.135 5.002 1.00 2.30 H new ATOM 1700 N SER A 125 -7.195 -0.513 4.471 1.00 53.02 N ATOM 1701 CA SER A 125 -8.459 -0.950 3.842 1.00 20.13 C ATOM 1702 C SER A 125 -8.255 -2.161 2.917 1.00 21.14 C ATOM 1703 O SER A 125 -7.470 -2.108 1.967 1.00 53.33 O ATOM 1704 CB SER A 125 -9.089 0.192 3.022 1.00 41.20 C ATOM 1705 OG SER A 125 -9.541 1.260 3.842 1.00 25.42 O ATOM 0 H SER A 125 -6.768 0.299 4.025 1.00 53.02 H new ATOM 0 HA SER A 125 -9.125 -1.237 4.656 1.00 20.13 H new ATOM 0 HB2 SER A 125 -8.357 0.570 2.308 1.00 41.20 H new ATOM 0 HB3 SER A 125 -9.926 -0.198 2.444 1.00 41.20 H new ATOM 0 HG SER A 125 -10.321 0.968 4.359 1.00 25.42 H new ATOM 1711 N GLU A 126 -8.978 -3.246 3.189 1.00 13.25 N ATOM 1712 CA GLU A 126 -8.956 -4.436 2.327 1.00 35.43 C ATOM 1713 C GLU A 126 -10.333 -4.701 1.710 1.00 24.54 C ATOM 1714 O GLU A 126 -11.362 -4.488 2.349 1.00 71.01 O ATOM 1715 CB GLU A 126 -8.539 -5.679 3.123 1.00 12.00 C ATOM 1716 CG GLU A 126 -7.185 -5.574 3.807 1.00 54.40 C ATOM 1717 CD GLU A 126 -6.768 -6.889 4.446 1.00 42.54 C ATOM 1718 OE1 GLU A 126 -7.395 -7.300 5.443 1.00 50.01 O ATOM 1719 OE2 GLU A 126 -5.796 -7.513 3.961 1.00 33.22 O ATOM 0 H GLU A 126 -9.589 -3.330 4.001 1.00 13.25 H new ATOM 0 HA GLU A 126 -8.233 -4.240 1.535 1.00 35.43 H new ATOM 0 HB2 GLU A 126 -9.298 -5.880 3.879 1.00 12.00 H new ATOM 0 HB3 GLU A 126 -8.525 -6.536 2.450 1.00 12.00 H new ATOM 0 HG2 GLU A 126 -6.433 -5.270 3.079 1.00 54.40 H new ATOM 0 HG3 GLU A 126 -7.223 -4.796 4.569 1.00 54.40 H new ATOM 1726 N MET A 127 -10.353 -5.173 0.470 1.00 15.22 N ATOM 1727 CA MET A 127 -11.598 -5.630 -0.155 1.00 32.25 C ATOM 1728 C MET A 127 -11.766 -7.145 0.041 1.00 11.11 C ATOM 1729 O MET A 127 -11.109 -7.944 -0.630 1.00 32.34 O ATOM 1730 CB MET A 127 -11.615 -5.297 -1.652 1.00 25.42 C ATOM 1731 CG MET A 127 -12.887 -5.758 -2.349 1.00 1.51 C ATOM 1732 SD MET A 127 -14.340 -4.811 -1.859 1.00 52.30 S ATOM 1733 CE MET A 127 -13.982 -3.220 -2.604 1.00 44.31 C ATOM 0 H MET A 127 -9.528 -5.251 -0.125 1.00 15.22 H new ATOM 0 HA MET A 127 -12.427 -5.110 0.325 1.00 32.25 H new ATOM 0 HB2 MET A 127 -11.507 -4.220 -1.780 1.00 25.42 H new ATOM 0 HB3 MET A 127 -10.755 -5.763 -2.132 1.00 25.42 H new ATOM 0 HG2 MET A 127 -12.754 -5.677 -3.428 1.00 1.51 H new ATOM 0 HG3 MET A 127 -13.055 -6.812 -2.127 1.00 1.51 H new ATOM 0 HE1 MET A 127 -13.794 -2.485 -1.821 1.00 44.31 H new ATOM 0 HE2 MET A 127 -13.101 -3.306 -3.240 1.00 44.31 H new ATOM 0 HE3 MET A 127 -14.833 -2.900 -3.205 1.00 44.31 H new ATOM 1878 N GLU A 138 -11.264 -2.838 7.120 1.00 70.54 N ATOM 1879 CA GLU A 138 -9.919 -2.368 7.483 1.00 41.43 C ATOM 1880 C GLU A 138 -9.250 -3.310 8.500 1.00 40.24 C ATOM 1881 O GLU A 138 -9.758 -3.506 9.606 1.00 25.04 O ATOM 1882 CB GLU A 138 -9.970 -0.937 8.062 1.00 13.33 C ATOM 1883 CG GLU A 138 -10.276 0.164 7.039 1.00 12.34 C ATOM 1884 CD GLU A 138 -11.682 0.091 6.458 1.00 0.11 C ATOM 1885 OE1 GLU A 138 -12.657 0.195 7.233 1.00 50.11 O ATOM 1886 OE2 GLU A 138 -11.822 -0.074 5.228 1.00 1.34 O ATOM 0 HA GLU A 138 -9.325 -2.362 6.569 1.00 41.43 H new ATOM 0 HB2 GLU A 138 -10.727 -0.905 8.846 1.00 13.33 H new ATOM 0 HB3 GLU A 138 -9.012 -0.718 8.534 1.00 13.33 H new ATOM 0 HG2 GLU A 138 -10.139 1.136 7.513 1.00 12.34 H new ATOM 0 HG3 GLU A 138 -9.553 0.102 6.225 1.00 12.34 H new ATOM 1893 N ARG A 139 -8.106 -3.886 8.134 1.00 3.50 N ATOM 1894 CA ARG A 139 -7.349 -4.747 9.055 1.00 71.51 C ATOM 1895 C ARG A 139 -6.386 -3.909 9.912 1.00 32.14 C ATOM 1896 O ARG A 139 -5.918 -2.854 9.481 1.00 32.11 O ATOM 1897 CB ARG A 139 -6.550 -5.809 8.282 1.00 64.41 C ATOM 1898 CG ARG A 139 -5.268 -5.274 7.649 1.00 4.03 C ATOM 1899 CD ARG A 139 -4.531 -6.332 6.835 1.00 35.40 C ATOM 1900 NE ARG A 139 -4.181 -7.511 7.626 1.00 62.43 N ATOM 1901 CZ ARG A 139 -4.230 -8.737 7.171 1.00 2.12 C ATOM 1902 NH1 ARG A 139 -4.645 -8.988 5.970 1.00 50.30 N ATOM 1903 NH2 ARG A 139 -3.874 -9.717 7.933 1.00 52.44 N ATOM 0 H ARG A 139 -7.681 -3.776 7.213 1.00 3.50 H new ATOM 0 HA ARG A 139 -8.067 -5.247 9.705 1.00 71.51 H new ATOM 0 HB2 ARG A 139 -6.297 -6.625 8.959 1.00 64.41 H new ATOM 0 HB3 ARG A 139 -7.183 -6.229 7.500 1.00 64.41 H new ATOM 0 HG2 ARG A 139 -5.510 -4.429 7.005 1.00 4.03 H new ATOM 0 HG3 ARG A 139 -4.609 -4.899 8.432 1.00 4.03 H new ATOM 0 HD2 ARG A 139 -5.154 -6.636 5.994 1.00 35.40 H new ATOM 0 HD3 ARG A 139 -3.623 -5.896 6.418 1.00 35.40 H new ATOM 0 HE ARG A 139 -3.881 -7.369 8.590 1.00 62.43 H new ATOM 0 HH11 ARG A 139 -4.940 -8.224 5.362 1.00 50.30 H new ATOM 0 HH12 ARG A 139 -4.677 -9.950 5.632 1.00 50.30 H new ATOM 0 HH21 ARG A 139 -3.556 -9.534 8.885 1.00 52.44 H new ATOM 0 HH22 ARG A 139 -3.910 -10.674 7.583 1.00 52.44 H new ATOM 1917 N THR A 140 -6.083 -4.382 11.116 1.00 43.10 N ATOM 1918 CA THR A 140 -5.116 -3.705 11.991 1.00 2.21 C ATOM 1919 C THR A 140 -3.872 -4.581 12.219 1.00 31.33 C ATOM 1920 O THR A 140 -3.898 -5.532 13.000 1.00 21.31 O ATOM 1921 CB THR A 140 -5.745 -3.329 13.356 1.00 62.21 C ATOM 1922 OG1 THR A 140 -6.929 -2.534 13.153 1.00 72.12 O ATOM 1923 CG2 THR A 140 -4.758 -2.549 14.219 1.00 43.35 C ATOM 0 H THR A 140 -6.489 -5.229 11.513 1.00 43.10 H new ATOM 0 HA THR A 140 -4.818 -2.787 11.485 1.00 2.21 H new ATOM 0 HB THR A 140 -6.005 -4.254 13.870 1.00 62.21 H new ATOM 0 HG1 THR A 140 -7.320 -2.302 14.021 1.00 72.12 H new ATOM 0 HG21 THR A 140 -5.226 -2.298 15.171 1.00 43.35 H new ATOM 0 HG22 THR A 140 -3.872 -3.158 14.399 1.00 43.35 H new ATOM 0 HG23 THR A 140 -4.470 -1.633 13.704 1.00 43.35 H new ATOM 1931 N ILE A 141 -2.787 -4.251 11.525 1.00 74.41 N ATOM 1932 CA ILE A 141 -1.556 -5.050 11.572 1.00 11.00 C ATOM 1933 C ILE A 141 -0.649 -4.637 12.746 1.00 13.24 C ATOM 1934 O ILE A 141 -0.374 -3.454 12.942 1.00 61.51 O ATOM 1935 CB ILE A 141 -0.759 -4.910 10.248 1.00 32.23 C ATOM 1936 CG1 ILE A 141 -1.655 -5.243 9.041 1.00 71.12 C ATOM 1937 CG2 ILE A 141 0.475 -5.809 10.264 1.00 54.32 C ATOM 1938 CD1 ILE A 141 -0.963 -5.106 7.698 1.00 1.31 C ATOM 0 H ILE A 141 -2.730 -3.432 10.919 1.00 74.41 H new ATOM 0 HA ILE A 141 -1.860 -6.087 11.713 1.00 11.00 H new ATOM 0 HB ILE A 141 -0.427 -3.876 10.156 1.00 32.23 H new ATOM 0 HG12 ILE A 141 -2.022 -6.264 9.146 1.00 71.12 H new ATOM 0 HG13 ILE A 141 -2.526 -4.588 9.057 1.00 71.12 H new ATOM 0 HG21 ILE A 141 1.020 -5.696 9.327 1.00 54.32 H new ATOM 0 HG22 ILE A 141 1.121 -5.526 11.095 1.00 54.32 H new ATOM 0 HG23 ILE A 141 0.167 -6.848 10.381 1.00 54.32 H new ATOM 0 HD11 ILE A 141 -1.662 -5.358 6.901 1.00 1.31 H new ATOM 0 HD12 ILE A 141 -0.620 -4.079 7.568 1.00 1.31 H new ATOM 0 HD13 ILE A 141 -0.109 -5.782 7.658 1.00 1.31 H new ATOM 1950 N SER A 142 -0.184 -5.617 13.520 1.00 72.14 N ATOM 1951 CA SER A 142 0.757 -5.359 14.625 1.00 25.11 C ATOM 1952 C SER A 142 2.147 -4.988 14.087 1.00 41.34 C ATOM 1953 O SER A 142 2.551 -5.466 13.028 1.00 24.51 O ATOM 1954 CB SER A 142 0.880 -6.595 15.527 1.00 2.34 C ATOM 1955 OG SER A 142 -0.378 -6.987 16.062 1.00 11.02 O ATOM 0 H SER A 142 -0.439 -6.598 13.408 1.00 72.14 H new ATOM 0 HA SER A 142 0.365 -4.523 15.205 1.00 25.11 H new ATOM 0 HB2 SER A 142 1.305 -7.420 14.956 1.00 2.34 H new ATOM 0 HB3 SER A 142 1.571 -6.382 16.343 1.00 2.34 H new ATOM 0 HG SER A 142 -0.260 -7.777 16.629 1.00 11.02 H new ATOM 1961 N ALA A 143 2.883 -4.154 14.828 1.00 41.23 N ATOM 1962 CA ALA A 143 4.213 -3.683 14.397 1.00 63.14 C ATOM 1963 C ALA A 143 5.146 -4.837 13.978 1.00 13.42 C ATOM 1964 O ALA A 143 5.808 -4.766 12.937 1.00 51.20 O ATOM 1965 CB ALA A 143 4.861 -2.863 15.505 1.00 65.11 C ATOM 0 H ALA A 143 2.584 -3.788 15.732 1.00 41.23 H new ATOM 0 HA ALA A 143 4.061 -3.059 13.516 1.00 63.14 H new ATOM 0 HB1 ALA A 143 5.842 -2.520 15.177 1.00 65.11 H new ATOM 0 HB2 ALA A 143 4.234 -2.002 15.735 1.00 65.11 H new ATOM 0 HB3 ALA A 143 4.972 -3.480 16.397 1.00 65.11 H new ATOM 1971 N GLY A 144 5.190 -5.894 14.793 1.00 54.25 N ATOM 1972 CA GLY A 144 6.024 -7.058 14.490 1.00 61.12 C ATOM 1973 C GLY A 144 5.691 -7.726 13.152 1.00 4.32 C ATOM 1974 O GLY A 144 6.532 -8.414 12.564 1.00 71.51 O ATOM 0 H GLY A 144 4.661 -5.967 15.662 1.00 54.25 H new ATOM 0 HA2 GLY A 144 7.070 -6.752 14.482 1.00 61.12 H new ATOM 0 HA3 GLY A 144 5.913 -7.791 15.289 1.00 61.12 H new ATOM 1978 N GLU A 145 4.464 -7.534 12.673 1.00 11.23 N ATOM 1979 CA GLU A 145 4.033 -8.092 11.384 1.00 43.22 C ATOM 1980 C GLU A 145 4.148 -7.049 10.258 1.00 64.30 C ATOM 1981 O GLU A 145 4.481 -7.385 9.121 1.00 32.04 O ATOM 1982 CB GLU A 145 2.590 -8.604 11.495 1.00 42.42 C ATOM 1983 CG GLU A 145 2.060 -9.270 10.228 1.00 52.42 C ATOM 1984 CD GLU A 145 0.663 -9.842 10.412 1.00 45.21 C ATOM 1985 OE1 GLU A 145 0.542 -10.952 10.972 1.00 35.40 O ATOM 1986 OE2 GLU A 145 -0.321 -9.175 10.019 1.00 20.31 O ATOM 0 H GLU A 145 3.745 -6.995 13.156 1.00 11.23 H new ATOM 0 HA GLU A 145 4.691 -8.924 11.133 1.00 43.22 H new ATOM 0 HB2 GLU A 145 2.532 -9.317 12.317 1.00 42.42 H new ATOM 0 HB3 GLU A 145 1.939 -7.768 11.751 1.00 42.42 H new ATOM 0 HG2 GLU A 145 2.047 -8.542 9.417 1.00 52.42 H new ATOM 0 HG3 GLU A 145 2.740 -10.068 9.929 1.00 52.42 H new ATOM 1993 N ALA A 146 3.885 -5.780 10.594 1.00 11.43 N ATOM 1994 CA ALA A 146 3.967 -4.672 9.628 1.00 61.41 C ATOM 1995 C ALA A 146 5.400 -4.469 9.113 1.00 54.35 C ATOM 1996 O ALA A 146 5.617 -3.916 8.029 1.00 51.04 O ATOM 1997 CB ALA A 146 3.445 -3.386 10.261 1.00 33.44 C ATOM 0 H ALA A 146 3.612 -5.492 11.533 1.00 11.43 H new ATOM 0 HA ALA A 146 3.344 -4.931 8.772 1.00 61.41 H new ATOM 0 HB1 ALA A 146 3.510 -2.572 9.538 1.00 33.44 H new ATOM 0 HB2 ALA A 146 2.406 -3.523 10.560 1.00 33.44 H new ATOM 0 HB3 ALA A 146 4.046 -3.142 11.137 1.00 33.44 H new ATOM 2003 N SER A 147 6.376 -4.901 9.906 1.00 14.32 N ATOM 2004 CA SER A 147 7.783 -4.865 9.493 1.00 4.13 C ATOM 2005 C SER A 147 8.007 -5.723 8.238 1.00 24.05 C ATOM 2006 O SER A 147 7.377 -6.767 8.078 1.00 12.15 O ATOM 2007 CB SER A 147 8.690 -5.349 10.632 1.00 11.11 C ATOM 2008 OG SER A 147 8.601 -4.493 11.766 1.00 22.22 O ATOM 0 H SER A 147 6.222 -5.281 10.840 1.00 14.32 H new ATOM 0 HA SER A 147 8.039 -3.832 9.255 1.00 4.13 H new ATOM 0 HB2 SER A 147 8.409 -6.363 10.917 1.00 11.11 H new ATOM 0 HB3 SER A 147 9.722 -5.390 10.285 1.00 11.11 H new ATOM 0 HG SER A 147 7.706 -4.564 12.160 1.00 22.22 H new ATOM 2014 N SER A 148 8.899 -5.258 7.356 1.00 65.01 N ATOM 2015 CA SER A 148 9.217 -5.933 6.074 1.00 10.44 C ATOM 2016 C SER A 148 8.217 -5.574 4.964 1.00 23.11 C ATOM 2017 O SER A 148 8.364 -6.013 3.823 1.00 62.01 O ATOM 2018 CB SER A 148 9.308 -7.467 6.228 1.00 12.02 C ATOM 2019 OG SER A 148 9.717 -8.094 5.018 1.00 0.44 O ATOM 0 H SER A 148 9.428 -4.399 7.504 1.00 65.01 H new ATOM 0 HA SER A 148 10.199 -5.562 5.780 1.00 10.44 H new ATOM 0 HB2 SER A 148 10.014 -7.712 7.021 1.00 12.02 H new ATOM 0 HB3 SER A 148 8.338 -7.860 6.532 1.00 12.02 H new ATOM 0 HG SER A 148 9.368 -7.589 4.254 1.00 0.44 H new ATOM 2025 N TYR A 149 7.191 -4.783 5.291 1.00 11.40 N ATOM 2026 CA TYR A 149 6.274 -4.253 4.271 1.00 11.03 C ATOM 2027 C TYR A 149 6.737 -2.861 3.810 1.00 40.34 C ATOM 2028 O TYR A 149 6.972 -1.971 4.627 1.00 60.30 O ATOM 2029 CB TYR A 149 4.829 -4.180 4.799 1.00 75.44 C ATOM 2030 CG TYR A 149 4.252 -5.519 5.238 1.00 50.45 C ATOM 2031 CD1 TYR A 149 4.698 -6.712 4.679 1.00 55.33 C ATOM 2032 CD2 TYR A 149 3.253 -5.583 6.207 1.00 31.44 C ATOM 2033 CE1 TYR A 149 4.170 -7.927 5.072 1.00 5.14 C ATOM 2034 CE2 TYR A 149 2.722 -6.797 6.605 1.00 71.34 C ATOM 2035 CZ TYR A 149 3.183 -7.965 6.035 1.00 3.13 C ATOM 2036 OH TYR A 149 2.662 -9.180 6.434 1.00 64.40 O ATOM 0 H TYR A 149 6.973 -4.496 6.245 1.00 11.40 H new ATOM 0 HA TYR A 149 6.290 -4.936 3.422 1.00 11.03 H new ATOM 0 HB2 TYR A 149 4.798 -3.490 5.643 1.00 75.44 H new ATOM 0 HB3 TYR A 149 4.191 -3.761 4.021 1.00 75.44 H new ATOM 0 HD1 TYR A 149 5.470 -6.688 3.925 1.00 55.33 H new ATOM 0 HD2 TYR A 149 2.887 -4.671 6.655 1.00 31.44 H new ATOM 0 HE1 TYR A 149 4.529 -8.843 4.627 1.00 5.14 H new ATOM 0 HE2 TYR A 149 1.950 -6.830 7.359 1.00 71.34 H new ATOM 0 HH TYR A 149 1.977 -9.033 7.120 1.00 64.40 H new ATOM 2046 N ASN A 150 6.869 -2.677 2.498 1.00 72.02 N ATOM 2047 CA ASN A 150 7.381 -1.416 1.944 1.00 35.14 C ATOM 2048 C ASN A 150 6.247 -0.435 1.625 1.00 15.13 C ATOM 2049 O ASN A 150 5.379 -0.717 0.799 1.00 21.14 O ATOM 2050 CB ASN A 150 8.210 -1.692 0.688 1.00 55.33 C ATOM 2051 CG ASN A 150 9.396 -2.589 0.982 1.00 63.44 C ATOM 2052 OD1 ASN A 150 10.474 -2.119 1.327 1.00 11.53 O ATOM 2053 ND2 ASN A 150 9.207 -3.885 0.857 1.00 72.41 N ATOM 0 H ASN A 150 6.631 -3.379 1.798 1.00 72.02 H new ATOM 0 HA ASN A 150 8.015 -0.953 2.700 1.00 35.14 H new ATOM 0 HB2 ASN A 150 7.579 -2.159 -0.068 1.00 55.33 H new ATOM 0 HB3 ASN A 150 8.562 -0.749 0.271 1.00 55.33 H new ATOM 0 HD21 ASN A 150 9.971 -4.533 1.049 1.00 72.41 H new ATOM 0 HD22 ASN A 150 8.296 -4.242 0.568 1.00 72.41 H new ATOM 2060 N TYR A 151 6.262 0.719 2.286 1.00 74.32 N ATOM 2061 CA TYR A 151 5.216 1.733 2.119 1.00 71.01 C ATOM 2062 C TYR A 151 5.578 2.759 1.031 1.00 12.50 C ATOM 2063 O TYR A 151 6.523 3.539 1.183 1.00 64.23 O ATOM 2064 CB TYR A 151 4.970 2.458 3.451 1.00 52.12 C ATOM 2065 CG TYR A 151 4.520 1.538 4.572 1.00 63.15 C ATOM 2066 CD1 TYR A 151 5.443 0.788 5.293 1.00 5.30 C ATOM 2067 CD2 TYR A 151 3.174 1.413 4.902 1.00 22.20 C ATOM 2068 CE1 TYR A 151 5.040 -0.058 6.309 1.00 62.42 C ATOM 2069 CE2 TYR A 151 2.764 0.568 5.915 1.00 42.24 C ATOM 2070 CZ TYR A 151 3.700 -0.164 6.615 1.00 34.33 C ATOM 2071 OH TYR A 151 3.294 -1.007 7.623 1.00 3.22 O ATOM 0 H TYR A 151 6.992 0.980 2.949 1.00 74.32 H new ATOM 0 HA TYR A 151 4.308 1.218 1.804 1.00 71.01 H new ATOM 0 HB2 TYR A 151 5.887 2.964 3.754 1.00 52.12 H new ATOM 0 HB3 TYR A 151 4.215 3.229 3.301 1.00 52.12 H new ATOM 0 HD1 TYR A 151 6.493 0.868 5.055 1.00 5.30 H new ATOM 0 HD2 TYR A 151 2.438 1.986 4.357 1.00 22.20 H new ATOM 0 HE1 TYR A 151 5.770 -0.632 6.860 1.00 62.42 H new ATOM 0 HE2 TYR A 151 1.715 0.481 6.158 1.00 42.24 H new ATOM 0 HH TYR A 151 2.567 -1.579 7.299 1.00 3.22 H new ATOM 2081 N ILE A 152 4.824 2.752 -0.067 1.00 32.01 N ATOM 2082 CA ILE A 152 4.985 3.743 -1.135 1.00 34.22 C ATOM 2083 C ILE A 152 4.281 5.057 -0.756 1.00 31.53 C ATOM 2084 O ILE A 152 3.056 5.100 -0.627 1.00 33.52 O ATOM 2085 CB ILE A 152 4.411 3.247 -2.496 1.00 34.15 C ATOM 2086 CG1 ILE A 152 5.074 1.927 -2.949 1.00 4.32 C ATOM 2087 CG2 ILE A 152 4.575 4.324 -3.571 1.00 64.13 C ATOM 2088 CD1 ILE A 152 4.548 0.690 -2.246 1.00 73.12 C ATOM 0 H ILE A 152 4.090 2.066 -0.243 1.00 32.01 H new ATOM 0 HA ILE A 152 6.057 3.903 -1.251 1.00 34.22 H new ATOM 0 HB ILE A 152 3.349 3.050 -2.353 1.00 34.15 H new ATOM 0 HG12 ILE A 152 4.927 1.810 -4.023 1.00 4.32 H new ATOM 0 HG13 ILE A 152 6.149 1.997 -2.780 1.00 4.32 H new ATOM 0 HG21 ILE A 152 4.169 3.961 -4.515 1.00 64.13 H new ATOM 0 HG22 ILE A 152 4.040 5.224 -3.268 1.00 64.13 H new ATOM 0 HG23 ILE A 152 5.633 4.555 -3.696 1.00 64.13 H new ATOM 0 HD11 ILE A 152 5.067 -0.191 -2.623 1.00 73.12 H new ATOM 0 HD12 ILE A 152 4.719 0.781 -1.173 1.00 73.12 H new ATOM 0 HD13 ILE A 152 3.479 0.591 -2.435 1.00 73.12 H new ATOM 2100 N HIS A 153 5.056 6.122 -0.580 1.00 73.50 N ATOM 2101 CA HIS A 153 4.512 7.435 -0.209 1.00 72.52 C ATOM 2102 C HIS A 153 4.507 8.381 -1.419 1.00 51.34 C ATOM 2103 O HIS A 153 5.385 8.304 -2.281 1.00 4.32 O ATOM 2104 CB HIS A 153 5.328 8.047 0.940 1.00 72.32 C ATOM 2105 CG HIS A 153 5.385 7.187 2.172 1.00 32.44 C ATOM 2106 ND1 HIS A 153 4.379 7.148 3.116 1.00 23.11 N ATOM 2107 CD2 HIS A 153 6.338 6.330 2.616 1.00 70.32 C ATOM 2108 CE1 HIS A 153 4.709 6.319 4.085 1.00 75.32 C ATOM 2109 NE2 HIS A 153 5.892 5.809 3.807 1.00 1.43 N ATOM 0 H HIS A 153 6.070 6.107 -0.688 1.00 73.50 H new ATOM 0 HA HIS A 153 3.484 7.297 0.126 1.00 72.52 H new ATOM 0 HB2 HIS A 153 6.344 8.234 0.592 1.00 72.32 H new ATOM 0 HB3 HIS A 153 4.898 9.014 1.203 1.00 72.32 H new ATOM 0 HD2 HIS A 153 7.272 6.100 2.125 1.00 70.32 H new ATOM 0 HE1 HIS A 153 4.113 6.096 4.957 1.00 75.32 H new ATOM 0 HE2 HIS A 153 6.396 5.135 4.384 1.00 1.43 H new ATOM 2118 N LEU A 154 3.515 9.268 -1.482 1.00 75.05 N ATOM 2119 CA LEU A 154 3.387 10.206 -2.605 1.00 53.10 C ATOM 2120 C LEU A 154 3.871 11.613 -2.219 1.00 23.21 C ATOM 2121 O LEU A 154 3.434 12.177 -1.215 1.00 3.01 O ATOM 2122 CB LEU A 154 1.924 10.274 -3.070 1.00 53.21 C ATOM 2123 CG LEU A 154 1.273 8.919 -3.405 1.00 51.13 C ATOM 2124 CD1 LEU A 154 -0.138 9.120 -3.958 1.00 70.52 C ATOM 2125 CD2 LEU A 154 2.137 8.127 -4.387 1.00 23.31 C ATOM 0 H LEU A 154 2.788 9.360 -0.772 1.00 75.05 H new ATOM 0 HA LEU A 154 4.014 9.840 -3.418 1.00 53.10 H new ATOM 0 HB2 LEU A 154 1.335 10.758 -2.291 1.00 53.21 H new ATOM 0 HB3 LEU A 154 1.870 10.912 -3.952 1.00 53.21 H new ATOM 0 HG LEU A 154 1.197 8.341 -2.484 1.00 51.13 H new ATOM 0 HD11 LEU A 154 -0.580 8.151 -4.188 1.00 70.52 H new ATOM 0 HD12 LEU A 154 -0.751 9.631 -3.215 1.00 70.52 H new ATOM 0 HD13 LEU A 154 -0.091 9.722 -4.865 1.00 70.52 H new ATOM 0 HD21 LEU A 154 1.656 7.174 -4.608 1.00 23.31 H new ATOM 0 HD22 LEU A 154 2.255 8.696 -5.309 1.00 23.31 H new ATOM 0 HD23 LEU A 154 3.117 7.945 -3.945 1.00 23.31 H new