USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=29 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= 1.19 K(o=1.7,f=0.82) USER MOD Set 1.2: A 150 ASN : amide:sc= 0.508 K(o=1.7,f=0.82) USER MOD Set 2.1: A 102 SER OG : rot 68:sc= 0.539 USER MOD Set 2.2: A 149 TYR OH : rot 76:sc= 0.907 USER MOD Set 3.1: A 57 CYS SG : rot 158:sc= 0.42 USER MOD Set 3.2: A 109 HIS : no HE2:sc= 0.462 K(o=0.88,f=-2.9) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0468 X(o=-0.047,f=-0.063) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.574 USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= 0.569 (180deg=0.391) USER MOD Single : A 68 ASN : amide:sc= 1.2 K(o=1.2,f=-0.048) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -45:sc= 1.17 USER MOD Single : A 75 ASN : amide:sc= -0.0363 K(o=-0.036,f=-4.4!) USER MOD Single : A 77 ASN : amide:sc= -1.29 K(o=-1.3,f=-6.2!) USER MOD Single : A 78 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.4) 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 150:sc= 0.101 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -103:sc= 0.504 USER MOD Single : A 101 GLN : amide:sc= -0.234 K(o=-0.23,f=-7.9!) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0.41 K(o=0.41,f=-0.11) USER MOD Single : A 117 ASN : amide:sc= 0.601 K(o=0.6,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 23:sc= 0.891 USER MOD Single : A 127 MET CE :methyl 145:sc= -0.0527 (180deg=-0.707) 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 -84:sc= 0.83 USER MOD Single : A 148 SER OG : rot -25:sc= 0.00669 USER MOD Single : A 151 TYR OH : rot -165:sc= -1.57! USER MOD Single : A 153 HIS : no HD1:sc= 0.206 K(o=0.21,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 723 N THR A 53 -8.064 -4.909 -12.794 1.00 44.15 N ATOM 724 CA THR A 53 -9.173 -5.878 -12.857 1.00 14.45 C ATOM 725 C THR A 53 -9.850 -6.071 -11.495 1.00 1.20 C ATOM 726 O THR A 53 -9.194 -6.081 -10.451 1.00 33.23 O ATOM 727 CB THR A 53 -8.704 -7.257 -13.379 1.00 10.01 C ATOM 728 OG1 THR A 53 -9.819 -8.167 -13.454 1.00 51.34 O ATOM 729 CG2 THR A 53 -7.621 -7.850 -12.483 1.00 52.31 C ATOM 0 HA THR A 53 -9.895 -5.455 -13.555 1.00 14.45 H new ATOM 0 HB THR A 53 -8.285 -7.110 -14.375 1.00 10.01 H new ATOM 0 HG1 THR A 53 -9.511 -9.036 -13.787 1.00 51.34 H new ATOM 0 HG21 THR A 53 -7.313 -8.819 -12.877 1.00 52.31 H new ATOM 0 HG22 THR A 53 -6.762 -7.179 -12.457 1.00 52.31 H new ATOM 0 HG23 THR A 53 -8.013 -7.977 -11.474 1.00 52.31 H new ATOM 737 N ALA A 54 -11.170 -6.245 -11.519 1.00 12.11 N ATOM 738 CA ALA A 54 -11.964 -6.373 -10.293 1.00 63.12 C ATOM 739 C ALA A 54 -11.773 -7.742 -9.622 1.00 63.40 C ATOM 740 O ALA A 54 -11.690 -8.774 -10.290 1.00 43.35 O ATOM 741 CB ALA A 54 -13.439 -6.131 -10.600 1.00 31.11 C ATOM 0 H ALA A 54 -11.717 -6.301 -12.378 1.00 12.11 H new ATOM 0 HA ALA A 54 -11.612 -5.618 -9.590 1.00 63.12 H new ATOM 0 HB1 ALA A 54 -14.022 -6.228 -9.684 1.00 31.11 H new ATOM 0 HB2 ALA A 54 -13.566 -5.128 -11.007 1.00 31.11 H new ATOM 0 HB3 ALA A 54 -13.784 -6.864 -11.329 1.00 31.11 H new ATOM 747 N GLY A 55 -11.709 -7.741 -8.293 1.00 4.31 N ATOM 748 CA GLY A 55 -11.528 -8.983 -7.541 1.00 63.23 C ATOM 749 C GLY A 55 -10.114 -9.156 -6.995 1.00 11.02 C ATOM 750 O GLY A 55 -9.888 -9.945 -6.075 1.00 71.43 O ATOM 0 H GLY A 55 -11.779 -6.902 -7.717 1.00 4.31 H new ATOM 0 HA2 GLY A 55 -12.235 -9.004 -6.712 1.00 63.23 H new ATOM 0 HA3 GLY A 55 -11.767 -9.829 -8.186 1.00 63.23 H new ATOM 754 N GLN A 56 -9.158 -8.419 -7.561 1.00 72.40 N ATOM 755 CA GLN A 56 -7.754 -8.514 -7.135 1.00 75.43 C ATOM 756 C GLN A 56 -7.393 -7.422 -6.114 1.00 61.44 C ATOM 757 O GLN A 56 -8.079 -6.403 -6.008 1.00 3.44 O ATOM 758 CB GLN A 56 -6.829 -8.423 -8.357 1.00 54.40 C ATOM 759 CG GLN A 56 -7.094 -9.500 -9.406 1.00 65.12 C ATOM 760 CD GLN A 56 -6.916 -10.915 -8.873 1.00 70.30 C ATOM 761 OE1 GLN A 56 -7.850 -11.527 -8.364 1.00 30.33 O ATOM 762 NE2 GLN A 56 -5.716 -11.447 -8.990 1.00 72.14 N ATOM 0 H GLN A 56 -9.325 -7.751 -8.313 1.00 72.40 H new ATOM 0 HA GLN A 56 -7.618 -9.479 -6.647 1.00 75.43 H new ATOM 0 HB2 GLN A 56 -6.945 -7.442 -8.818 1.00 54.40 H new ATOM 0 HB3 GLN A 56 -5.794 -8.498 -8.025 1.00 54.40 H new ATOM 0 HG2 GLN A 56 -8.110 -9.387 -9.785 1.00 65.12 H new ATOM 0 HG3 GLN A 56 -6.421 -9.349 -10.250 1.00 65.12 H new ATOM 0 HE21 GLN A 56 -4.960 -10.912 -9.418 1.00 72.14 H new ATOM 0 HE22 GLN A 56 -5.543 -12.394 -8.653 1.00 72.14 H new ATOM 771 N CYS A 57 -6.302 -7.635 -5.380 1.00 73.22 N ATOM 772 CA CYS A 57 -5.872 -6.704 -4.326 1.00 73.20 C ATOM 773 C CYS A 57 -5.511 -5.324 -4.894 1.00 51.44 C ATOM 774 O CYS A 57 -5.890 -4.292 -4.341 1.00 42.22 O ATOM 775 CB CYS A 57 -4.673 -7.279 -3.562 1.00 12.35 C ATOM 776 SG CYS A 57 -4.962 -8.922 -2.863 1.00 41.11 S ATOM 0 H CYS A 57 -5.694 -8.446 -5.493 1.00 73.22 H new ATOM 0 HA CYS A 57 -6.712 -6.577 -3.643 1.00 73.20 H new ATOM 0 HB2 CYS A 57 -3.817 -7.328 -4.235 1.00 12.35 H new ATOM 0 HB3 CYS A 57 -4.407 -6.595 -2.756 1.00 12.35 H new ATOM 0 HG CYS A 57 -3.822 -9.514 -2.661 1.00 41.11 H new ATOM 782 N THR A 58 -4.789 -5.314 -6.011 1.00 24.52 N ATOM 783 CA THR A 58 -4.332 -4.065 -6.646 1.00 75.22 C ATOM 784 C THR A 58 -5.500 -3.161 -7.080 1.00 32.21 C ATOM 785 O THR A 58 -5.354 -1.939 -7.177 1.00 2.34 O ATOM 786 CB THR A 58 -3.459 -4.371 -7.887 1.00 64.34 C ATOM 787 OG1 THR A 58 -4.214 -5.125 -8.847 1.00 20.42 O ATOM 788 CG2 THR A 58 -2.213 -5.160 -7.496 1.00 33.54 C ATOM 0 H THR A 58 -4.502 -6.160 -6.504 1.00 24.52 H new ATOM 0 HA THR A 58 -3.749 -3.536 -5.892 1.00 75.22 H new ATOM 0 HB THR A 58 -3.152 -3.421 -8.325 1.00 64.34 H new ATOM 0 HG1 THR A 58 -3.654 -5.312 -9.629 1.00 20.42 H new ATOM 0 HG21 THR A 58 -1.616 -5.362 -8.386 1.00 33.54 H new ATOM 0 HG22 THR A 58 -1.622 -4.580 -6.787 1.00 33.54 H new ATOM 0 HG23 THR A 58 -2.509 -6.103 -7.035 1.00 33.54 H new ATOM 796 N TRP A 59 -6.656 -3.771 -7.329 1.00 72.20 N ATOM 797 CA TRP A 59 -7.834 -3.053 -7.827 1.00 50.24 C ATOM 798 C TRP A 59 -8.307 -1.953 -6.861 1.00 2.04 C ATOM 799 O TRP A 59 -8.285 -0.765 -7.196 1.00 2.21 O ATOM 800 CB TRP A 59 -8.973 -4.048 -8.084 1.00 21.40 C ATOM 801 CG TRP A 59 -10.206 -3.419 -8.669 1.00 41.42 C ATOM 802 CD1 TRP A 59 -10.376 -2.987 -9.954 1.00 5.02 C ATOM 803 CD2 TRP A 59 -11.447 -3.164 -7.994 1.00 74.20 C ATOM 804 NE1 TRP A 59 -11.641 -2.479 -10.118 1.00 1.23 N ATOM 805 CE2 TRP A 59 -12.318 -2.577 -8.930 1.00 74.44 C ATOM 806 CE3 TRP A 59 -11.903 -3.376 -6.687 1.00 43.55 C ATOM 807 CZ2 TRP A 59 -13.620 -2.198 -8.602 1.00 2.11 C ATOM 808 CZ3 TRP A 59 -13.196 -3.000 -6.364 1.00 13.51 C ATOM 809 CH2 TRP A 59 -14.041 -2.418 -7.316 1.00 32.34 C ATOM 0 H TRP A 59 -6.806 -4.771 -7.193 1.00 72.20 H new ATOM 0 HA TRP A 59 -7.547 -2.561 -8.757 1.00 50.24 H new ATOM 0 HB2 TRP A 59 -8.618 -4.826 -8.759 1.00 21.40 H new ATOM 0 HB3 TRP A 59 -9.236 -4.536 -7.145 1.00 21.40 H new ATOM 0 HD1 TRP A 59 -9.625 -3.038 -10.728 1.00 5.02 H new ATOM 0 HE1 TRP A 59 -12.016 -2.091 -10.984 1.00 1.23 H new ATOM 0 HE3 TRP A 59 -11.259 -3.824 -5.945 1.00 43.55 H new ATOM 0 HZ2 TRP A 59 -14.273 -1.747 -9.335 1.00 2.11 H new ATOM 0 HZ3 TRP A 59 -13.559 -3.159 -5.359 1.00 13.51 H new ATOM 0 HH2 TRP A 59 -15.044 -2.137 -7.032 1.00 32.34 H new ATOM 820 N TYR A 60 -8.740 -2.349 -5.663 1.00 10.51 N ATOM 821 CA TYR A 60 -9.296 -1.395 -4.695 1.00 54.44 C ATOM 822 C TYR A 60 -8.235 -0.402 -4.187 1.00 34.20 C ATOM 823 O TYR A 60 -8.559 0.731 -3.836 1.00 33.25 O ATOM 824 CB TYR A 60 -9.956 -2.131 -3.514 1.00 30.31 C ATOM 825 CG TYR A 60 -9.013 -2.999 -2.699 1.00 15.24 C ATOM 826 CD1 TYR A 60 -8.203 -2.444 -1.712 1.00 71.55 C ATOM 827 CD2 TYR A 60 -8.933 -4.370 -2.912 1.00 4.10 C ATOM 828 CE1 TYR A 60 -7.349 -3.227 -0.964 1.00 50.53 C ATOM 829 CE2 TYR A 60 -8.080 -5.159 -2.164 1.00 52.41 C ATOM 830 CZ TYR A 60 -7.287 -4.582 -1.195 1.00 3.43 C ATOM 831 OH TYR A 60 -6.440 -5.364 -0.446 1.00 22.22 O ATOM 0 H TYR A 60 -8.718 -3.316 -5.339 1.00 10.51 H new ATOM 0 HA TYR A 60 -10.060 -0.819 -5.218 1.00 54.44 H new ATOM 0 HB2 TYR A 60 -10.411 -1.394 -2.853 1.00 30.31 H new ATOM 0 HB3 TYR A 60 -10.762 -2.756 -3.898 1.00 30.31 H new ATOM 0 HD1 TYR A 60 -8.244 -1.380 -1.529 1.00 71.55 H new ATOM 0 HD2 TYR A 60 -9.547 -4.826 -3.674 1.00 4.10 H new ATOM 0 HE1 TYR A 60 -6.731 -2.778 -0.200 1.00 50.53 H new ATOM 0 HE2 TYR A 60 -8.035 -6.224 -2.338 1.00 52.41 H new ATOM 0 HH TYR A 60 -6.517 -6.298 -0.734 1.00 22.22 H new ATOM 841 N VAL A 61 -6.970 -0.830 -4.155 1.00 43.34 N ATOM 842 CA VAL A 61 -5.867 0.045 -3.728 1.00 54.11 C ATOM 843 C VAL A 61 -5.733 1.251 -4.664 1.00 22.11 C ATOM 844 O VAL A 61 -5.586 2.390 -4.214 1.00 4.32 O ATOM 845 CB VAL A 61 -4.517 -0.713 -3.690 1.00 4.42 C ATOM 846 CG1 VAL A 61 -3.385 0.209 -3.237 1.00 52.14 C ATOM 847 CG2 VAL A 61 -4.609 -1.936 -2.782 1.00 42.11 C ATOM 0 H VAL A 61 -6.682 -1.772 -4.418 1.00 43.34 H new ATOM 0 HA VAL A 61 -6.108 0.386 -2.721 1.00 54.11 H new ATOM 0 HB VAL A 61 -4.294 -1.053 -4.701 1.00 4.42 H new ATOM 0 HG11 VAL A 61 -2.448 -0.347 -3.219 1.00 52.14 H new ATOM 0 HG12 VAL A 61 -3.297 1.045 -3.931 1.00 52.14 H new ATOM 0 HG13 VAL A 61 -3.602 0.588 -2.238 1.00 52.14 H new ATOM 0 HG21 VAL A 61 -3.650 -2.453 -2.770 1.00 42.11 H new ATOM 0 HG22 VAL A 61 -4.863 -1.620 -1.770 1.00 42.11 H new ATOM 0 HG23 VAL A 61 -5.380 -2.610 -3.156 1.00 42.11 H new ATOM 857 N TYR A 62 -5.796 0.987 -5.968 1.00 43.22 N ATOM 858 CA TYR A 62 -5.708 2.039 -6.987 1.00 12.22 C ATOM 859 C TYR A 62 -6.789 3.113 -6.769 1.00 73.34 C ATOM 860 O TYR A 62 -6.569 4.298 -7.023 1.00 44.52 O ATOM 861 CB TYR A 62 -5.841 1.422 -8.388 1.00 2.12 C ATOM 862 CG TYR A 62 -5.578 2.395 -9.522 1.00 23.14 C ATOM 863 CD1 TYR A 62 -4.276 2.723 -9.890 1.00 35.02 C ATOM 864 CD2 TYR A 62 -6.625 2.982 -10.221 1.00 52.11 C ATOM 865 CE1 TYR A 62 -4.029 3.605 -10.923 1.00 32.40 C ATOM 866 CE2 TYR A 62 -6.384 3.863 -11.256 1.00 0.34 C ATOM 867 CZ TYR A 62 -5.085 4.173 -11.602 1.00 0.31 C ATOM 868 OH TYR A 62 -4.841 5.048 -12.635 1.00 53.13 O ATOM 0 H TYR A 62 -5.908 0.047 -6.349 1.00 43.22 H new ATOM 0 HA TYR A 62 -4.735 2.522 -6.900 1.00 12.22 H new ATOM 0 HB2 TYR A 62 -5.146 0.586 -8.472 1.00 2.12 H new ATOM 0 HB3 TYR A 62 -6.846 1.014 -8.500 1.00 2.12 H new ATOM 0 HD1 TYR A 62 -3.446 2.281 -9.359 1.00 35.02 H new ATOM 0 HD2 TYR A 62 -7.643 2.745 -9.951 1.00 52.11 H new ATOM 0 HE1 TYR A 62 -3.013 3.849 -11.198 1.00 32.40 H new ATOM 0 HE2 TYR A 62 -7.209 4.308 -11.793 1.00 0.34 H new ATOM 0 HH TYR A 62 -5.692 5.358 -13.009 1.00 53.13 H new ATOM 878 N ASP A 63 -7.953 2.684 -6.287 1.00 60.21 N ATOM 879 CA ASP A 63 -9.057 3.597 -5.983 1.00 33.31 C ATOM 880 C ASP A 63 -8.816 4.341 -4.652 1.00 32.22 C ATOM 881 O ASP A 63 -8.983 5.558 -4.571 1.00 63.04 O ATOM 882 CB ASP A 63 -10.368 2.809 -5.925 1.00 72.01 C ATOM 883 CG ASP A 63 -11.572 3.694 -5.664 1.00 12.35 C ATOM 884 OD1 ASP A 63 -12.123 4.258 -6.632 1.00 40.33 O ATOM 885 OD2 ASP A 63 -11.980 3.821 -4.490 1.00 74.12 O ATOM 0 H ASP A 63 -8.159 1.703 -6.097 1.00 60.21 H new ATOM 0 HA ASP A 63 -9.118 4.346 -6.773 1.00 33.31 H new ATOM 0 HB2 ASP A 63 -10.510 2.278 -6.866 1.00 72.01 H new ATOM 0 HB3 ASP A 63 -10.300 2.055 -5.141 1.00 72.01 H new ATOM 890 N LYS A 64 -8.414 3.600 -3.619 1.00 11.03 N ATOM 891 CA LYS A 64 -8.121 4.180 -2.297 1.00 14.42 C ATOM 892 C LYS A 64 -7.033 5.266 -2.370 1.00 72.33 C ATOM 893 O LYS A 64 -7.048 6.228 -1.603 1.00 54.54 O ATOM 894 CB LYS A 64 -7.688 3.073 -1.322 1.00 34.21 C ATOM 895 CG LYS A 64 -8.815 2.126 -0.913 1.00 44.44 C ATOM 896 CD LYS A 64 -9.820 2.797 0.024 1.00 43.33 C ATOM 897 CE LYS A 64 -9.162 3.241 1.329 1.00 62.11 C ATOM 898 NZ LYS A 64 -10.150 3.727 2.326 1.00 30.12 N ATOM 0 H LYS A 64 -8.282 2.590 -3.668 1.00 11.03 H new ATOM 0 HA LYS A 64 -9.035 4.652 -1.937 1.00 14.42 H new ATOM 0 HB2 LYS A 64 -6.888 2.492 -1.781 1.00 34.21 H new ATOM 0 HB3 LYS A 64 -7.273 3.535 -0.426 1.00 34.21 H new ATOM 0 HG2 LYS A 64 -9.332 1.772 -1.805 1.00 44.44 H new ATOM 0 HG3 LYS A 64 -8.391 1.250 -0.422 1.00 44.44 H new ATOM 0 HD2 LYS A 64 -10.262 3.660 -0.473 1.00 43.33 H new ATOM 0 HD3 LYS A 64 -10.633 2.105 0.243 1.00 43.33 H new ATOM 0 HE2 LYS A 64 -8.603 2.407 1.753 1.00 62.11 H new ATOM 0 HE3 LYS A 64 -8.443 4.033 1.119 1.00 62.11 H new ATOM 0 HZ1 LYS A 64 -9.649 4.095 3.160 1.00 30.12 H new ATOM 0 HZ2 LYS A 64 -10.724 4.485 1.905 1.00 30.12 H new ATOM 0 HZ3 LYS A 64 -10.769 2.942 2.612 1.00 30.12 H new ATOM 912 N VAL A 65 -6.086 5.103 -3.293 1.00 5.24 N ATOM 913 CA VAL A 65 -5.010 6.083 -3.484 1.00 71.31 C ATOM 914 C VAL A 65 -5.392 7.143 -4.542 1.00 52.51 C ATOM 915 O VAL A 65 -4.547 7.899 -5.025 1.00 65.14 O ATOM 916 CB VAL A 65 -3.690 5.374 -3.893 1.00 52.54 C ATOM 917 CG1 VAL A 65 -3.782 4.812 -5.310 1.00 21.33 C ATOM 918 CG2 VAL A 65 -2.489 6.310 -3.750 1.00 64.03 C ATOM 0 H VAL A 65 -6.039 4.302 -3.922 1.00 5.24 H new ATOM 0 HA VAL A 65 -4.858 6.593 -2.533 1.00 71.31 H new ATOM 0 HB VAL A 65 -3.541 4.537 -3.211 1.00 52.54 H new ATOM 0 HG11 VAL A 65 -2.844 4.322 -5.569 1.00 21.33 H new ATOM 0 HG12 VAL A 65 -4.596 4.089 -5.362 1.00 21.33 H new ATOM 0 HG13 VAL A 65 -3.972 5.624 -6.012 1.00 21.33 H new ATOM 0 HG21 VAL A 65 -1.581 5.784 -4.044 1.00 64.03 H new ATOM 0 HG22 VAL A 65 -2.628 7.180 -4.391 1.00 64.03 H new ATOM 0 HG23 VAL A 65 -2.401 6.634 -2.713 1.00 64.03 H new ATOM 928 N GLY A 66 -6.676 7.185 -4.903 1.00 1.55 N ATOM 929 CA GLY A 66 -7.169 8.170 -5.866 1.00 10.25 C ATOM 930 C GLY A 66 -6.504 8.081 -7.240 1.00 65.01 C ATOM 931 O GLY A 66 -6.493 9.054 -7.996 1.00 71.13 O ATOM 0 H GLY A 66 -7.390 6.551 -4.544 1.00 1.55 H new ATOM 0 HA2 GLY A 66 -8.245 8.040 -5.985 1.00 10.25 H new ATOM 0 HA3 GLY A 66 -7.011 9.170 -5.461 1.00 10.25 H new ATOM 935 N GLY A 67 -5.949 6.914 -7.564 1.00 73.52 N ATOM 936 CA GLY A 67 -5.294 6.711 -8.855 1.00 40.41 C ATOM 937 C GLY A 67 -4.069 7.601 -9.088 1.00 72.31 C ATOM 938 O GLY A 67 -3.671 7.818 -10.233 1.00 20.14 O ATOM 0 H GLY A 67 -5.940 6.098 -6.953 1.00 73.52 H new ATOM 0 HA2 GLY A 67 -4.990 5.667 -8.935 1.00 40.41 H new ATOM 0 HA3 GLY A 67 -6.018 6.894 -9.649 1.00 40.41 H new ATOM 942 N ASN A 68 -3.455 8.102 -8.009 1.00 73.51 N ATOM 943 CA ASN A 68 -2.277 8.984 -8.126 1.00 54.24 C ATOM 944 C ASN A 68 -0.967 8.190 -8.296 1.00 51.35 C ATOM 945 O ASN A 68 0.126 8.753 -8.204 1.00 2.04 O ATOM 946 CB ASN A 68 -2.174 9.915 -6.906 1.00 32.32 C ATOM 947 CG ASN A 68 -3.380 10.829 -6.781 1.00 43.23 C ATOM 948 OD1 ASN A 68 -3.462 11.864 -7.433 1.00 42.32 O ATOM 949 ND2 ASN A 68 -4.319 10.468 -5.934 1.00 53.14 N ATOM 0 H ASN A 68 -3.748 7.916 -7.050 1.00 73.51 H new ATOM 0 HA ASN A 68 -2.417 9.583 -9.026 1.00 54.24 H new ATOM 0 HB2 ASN A 68 -2.078 9.316 -6.000 1.00 32.32 H new ATOM 0 HB3 ASN A 68 -1.270 10.518 -6.986 1.00 32.32 H new ATOM 0 HD21 ASN A 68 -5.143 11.055 -5.806 1.00 53.14 H new ATOM 0 HD22 ASN A 68 -4.223 9.601 -5.405 1.00 53.14 H new ATOM 956 N ILE A 69 -1.079 6.888 -8.561 1.00 45.22 N ATOM 957 CA ILE A 69 0.100 6.028 -8.756 1.00 4.41 C ATOM 958 C ILE A 69 0.124 5.404 -10.162 1.00 70.02 C ATOM 959 O ILE A 69 -0.809 5.575 -10.947 1.00 1.35 O ATOM 960 CB ILE A 69 0.153 4.891 -7.704 1.00 42.31 C ATOM 961 CG1 ILE A 69 -1.089 3.991 -7.821 1.00 20.20 C ATOM 962 CG2 ILE A 69 0.272 5.470 -6.292 1.00 52.13 C ATOM 963 CD1 ILE A 69 -1.081 2.806 -6.878 1.00 52.14 C ATOM 0 H ILE A 69 -1.971 6.401 -8.646 1.00 45.22 H new ATOM 0 HA ILE A 69 0.971 6.672 -8.637 1.00 4.41 H new ATOM 0 HB ILE A 69 1.036 4.282 -7.898 1.00 42.31 H new ATOM 0 HG12 ILE A 69 -1.979 4.590 -7.628 1.00 20.20 H new ATOM 0 HG13 ILE A 69 -1.166 3.627 -8.845 1.00 20.20 H new ATOM 0 HG21 ILE A 69 0.308 4.657 -5.567 1.00 52.13 H new ATOM 0 HG22 ILE A 69 1.184 6.063 -6.218 1.00 52.13 H new ATOM 0 HG23 ILE A 69 -0.591 6.103 -6.085 1.00 52.13 H new ATOM 0 HD11 ILE A 69 -1.989 2.221 -7.021 1.00 52.14 H new ATOM 0 HD12 ILE A 69 -0.211 2.182 -7.085 1.00 52.14 H new ATOM 0 HD13 ILE A 69 -1.037 3.161 -5.848 1.00 52.14 H new ATOM 975 N GLY A 70 1.195 4.666 -10.464 1.00 73.10 N ATOM 976 CA GLY A 70 1.330 4.030 -11.771 1.00 45.02 C ATOM 977 C GLY A 70 0.250 2.986 -12.059 1.00 43.41 C ATOM 978 O GLY A 70 0.177 1.948 -11.395 1.00 32.01 O ATOM 0 H GLY A 70 1.973 4.497 -9.826 1.00 73.10 H new ATOM 0 HA2 GLY A 70 1.297 4.798 -12.544 1.00 45.02 H new ATOM 0 HA3 GLY A 70 2.309 3.555 -11.835 1.00 45.02 H new ATOM 982 N SER A 71 -0.577 3.252 -13.070 1.00 72.34 N ATOM 983 CA SER A 71 -1.683 2.350 -13.447 1.00 41.24 C ATOM 984 C SER A 71 -1.195 1.097 -14.196 1.00 13.13 C ATOM 985 O SER A 71 -1.999 0.253 -14.594 1.00 70.11 O ATOM 986 CB SER A 71 -2.704 3.100 -14.319 1.00 72.41 C ATOM 987 OG SER A 71 -2.093 3.634 -15.486 1.00 11.20 O ATOM 0 H SER A 71 -0.507 4.088 -13.650 1.00 72.34 H new ATOM 0 HA SER A 71 -2.151 2.019 -12.520 1.00 41.24 H new ATOM 0 HB2 SER A 71 -3.509 2.422 -14.605 1.00 72.41 H new ATOM 0 HB3 SER A 71 -3.156 3.906 -13.741 1.00 72.41 H new ATOM 0 HG SER A 71 -2.766 4.104 -16.022 1.00 11.20 H new ATOM 993 N THR A 72 0.117 0.973 -14.390 1.00 2.11 N ATOM 994 CA THR A 72 0.689 -0.184 -15.100 1.00 12.53 C ATOM 995 C THR A 72 1.666 -0.981 -14.213 1.00 14.13 C ATOM 996 O THR A 72 2.493 -1.741 -14.716 1.00 73.21 O ATOM 997 CB THR A 72 1.422 0.263 -16.395 1.00 13.43 C ATOM 998 OG1 THR A 72 1.927 -0.880 -17.117 1.00 22.03 O ATOM 999 CG2 THR A 72 2.568 1.218 -16.073 1.00 31.03 C ATOM 0 H THR A 72 0.806 1.653 -14.069 1.00 2.11 H new ATOM 0 HA THR A 72 -0.147 -0.832 -15.361 1.00 12.53 H new ATOM 0 HB THR A 72 0.698 0.785 -17.021 1.00 13.43 H new ATOM 0 HG1 THR A 72 2.356 -1.500 -16.490 1.00 22.03 H new ATOM 0 HG21 THR A 72 3.064 1.515 -16.997 1.00 31.03 H new ATOM 0 HG22 THR A 72 2.175 2.102 -15.571 1.00 31.03 H new ATOM 0 HG23 THR A 72 3.285 0.719 -15.420 1.00 31.03 H new ATOM 1007 N TRP A 73 1.559 -0.824 -12.895 1.00 44.44 N ATOM 1008 CA TRP A 73 2.437 -1.553 -11.961 1.00 32.35 C ATOM 1009 C TRP A 73 2.092 -3.053 -11.921 1.00 61.23 C ATOM 1010 O TRP A 73 2.978 -3.909 -11.825 1.00 51.43 O ATOM 1011 CB TRP A 73 2.352 -0.933 -10.557 1.00 10.21 C ATOM 1012 CG TRP A 73 3.014 0.416 -10.451 1.00 51.30 C ATOM 1013 CD1 TRP A 73 3.600 1.123 -11.461 1.00 1.34 C ATOM 1014 CD2 TRP A 73 3.165 1.209 -9.267 1.00 61.13 C ATOM 1015 NE1 TRP A 73 4.105 2.305 -10.977 1.00 73.21 N ATOM 1016 CE2 TRP A 73 3.849 2.382 -9.633 1.00 52.11 C ATOM 1017 CE3 TRP A 73 2.785 1.043 -7.933 1.00 55.41 C ATOM 1018 CZ2 TRP A 73 4.164 3.380 -8.714 1.00 41.51 C ATOM 1019 CZ3 TRP A 73 3.097 2.034 -7.021 1.00 61.22 C ATOM 1020 CH2 TRP A 73 3.780 3.191 -7.415 1.00 75.13 C ATOM 0 H TRP A 73 0.882 -0.207 -12.446 1.00 44.44 H new ATOM 0 HA TRP A 73 3.462 -1.463 -12.320 1.00 32.35 H new ATOM 0 HB2 TRP A 73 1.304 -0.837 -10.275 1.00 10.21 H new ATOM 0 HB3 TRP A 73 2.814 -1.612 -9.841 1.00 10.21 H new ATOM 0 HD1 TRP A 73 3.658 0.800 -12.490 1.00 1.34 H new ATOM 0 HE1 TRP A 73 4.592 3.011 -11.529 1.00 73.21 H new ATOM 0 HE3 TRP A 73 2.256 0.155 -7.619 1.00 55.41 H new ATOM 0 HZ2 TRP A 73 4.693 4.272 -9.016 1.00 41.51 H new ATOM 0 HZ3 TRP A 73 2.809 1.914 -5.987 1.00 61.22 H new ATOM 0 HH2 TRP A 73 4.008 3.948 -6.679 1.00 75.13 H new ATOM 1031 N GLY A 74 0.798 -3.360 -11.996 1.00 32.15 N ATOM 1032 CA GLY A 74 0.350 -4.749 -12.108 1.00 32.54 C ATOM 1033 C GLY A 74 0.616 -5.597 -10.863 1.00 52.34 C ATOM 1034 O GLY A 74 -0.003 -5.386 -9.818 1.00 41.32 O ATOM 0 H GLY A 74 0.045 -2.672 -11.981 1.00 32.15 H new ATOM 0 HA2 GLY A 74 -0.720 -4.758 -12.318 1.00 32.54 H new ATOM 0 HA3 GLY A 74 0.846 -5.211 -12.961 1.00 32.54 H new ATOM 1038 N ASN A 75 1.538 -6.557 -10.988 1.00 13.44 N ATOM 1039 CA ASN A 75 1.870 -7.503 -9.908 1.00 71.52 C ATOM 1040 C ASN A 75 2.054 -6.807 -8.553 1.00 44.34 C ATOM 1041 O ASN A 75 2.875 -5.906 -8.415 1.00 14.41 O ATOM 1042 CB ASN A 75 3.158 -8.259 -10.252 1.00 61.54 C ATOM 1043 CG ASN A 75 3.050 -9.069 -11.527 1.00 10.14 C ATOM 1044 OD1 ASN A 75 2.290 -8.737 -12.432 1.00 2.30 O ATOM 1045 ND2 ASN A 75 3.820 -10.132 -11.616 1.00 33.52 N ATOM 0 H ASN A 75 2.078 -6.703 -11.841 1.00 13.44 H new ATOM 0 HA ASN A 75 1.029 -8.192 -9.823 1.00 71.52 H new ATOM 0 HB2 ASN A 75 3.976 -7.545 -10.351 1.00 61.54 H new ATOM 0 HB3 ASN A 75 3.413 -8.924 -9.427 1.00 61.54 H new ATOM 0 HD21 ASN A 75 3.797 -10.709 -12.457 1.00 33.52 H new ATOM 0 HD22 ASN A 75 4.440 -10.379 -10.844 1.00 33.52 H new ATOM 1052 N ALA A 76 1.309 -7.263 -7.548 1.00 54.51 N ATOM 1053 CA ALA A 76 1.355 -6.661 -6.211 1.00 34.43 C ATOM 1054 C ALA A 76 2.716 -6.872 -5.522 1.00 31.31 C ATOM 1055 O ALA A 76 3.009 -6.254 -4.502 1.00 64.45 O ATOM 1056 CB ALA A 76 0.226 -7.212 -5.347 1.00 40.12 C ATOM 0 H ALA A 76 0.664 -8.049 -7.632 1.00 54.51 H new ATOM 0 HA ALA A 76 1.223 -5.586 -6.332 1.00 34.43 H new ATOM 0 HB1 ALA A 76 0.271 -6.758 -4.357 1.00 40.12 H new ATOM 0 HB2 ALA A 76 -0.733 -6.980 -5.810 1.00 40.12 H new ATOM 0 HB3 ALA A 76 0.332 -8.293 -5.255 1.00 40.12 H new ATOM 1062 N ASN A 77 3.538 -7.764 -6.074 1.00 51.24 N ATOM 1063 CA ASN A 77 4.910 -7.973 -5.581 1.00 60.13 C ATOM 1064 C ASN A 77 5.931 -7.128 -6.370 1.00 31.20 C ATOM 1065 O ASN A 77 7.131 -7.168 -6.094 1.00 73.45 O ATOM 1066 CB ASN A 77 5.286 -9.461 -5.662 1.00 40.12 C ATOM 1067 CG ASN A 77 5.083 -10.049 -7.049 1.00 52.31 C ATOM 1068 OD1 ASN A 77 5.152 -9.352 -8.053 1.00 74.32 O ATOM 1069 ND2 ASN A 77 4.839 -11.341 -7.118 1.00 25.31 N ATOM 0 H ASN A 77 3.283 -8.357 -6.864 1.00 51.24 H new ATOM 0 HA ASN A 77 4.939 -7.651 -4.540 1.00 60.13 H new ATOM 0 HB2 ASN A 77 6.329 -9.583 -5.370 1.00 40.12 H new ATOM 0 HB3 ASN A 77 4.687 -10.021 -4.944 1.00 40.12 H new ATOM 0 HD21 ASN A 77 4.702 -11.786 -8.025 1.00 25.31 H new ATOM 0 HD22 ASN A 77 4.787 -11.897 -6.264 1.00 25.31 H new ATOM 1076 N ASN A 78 5.443 -6.358 -7.339 1.00 65.10 N ATOM 1077 CA ASN A 78 6.304 -5.552 -8.219 1.00 61.33 C ATOM 1078 C ASN A 78 6.254 -4.054 -7.850 1.00 3.12 C ATOM 1079 O ASN A 78 7.094 -3.272 -8.294 1.00 61.23 O ATOM 1080 CB ASN A 78 5.855 -5.743 -9.676 1.00 64.05 C ATOM 1081 CG ASN A 78 6.770 -5.067 -10.682 1.00 65.55 C ATOM 1082 OD1 ASN A 78 7.982 -5.004 -10.500 1.00 71.44 O ATOM 1083 ND2 ASN A 78 6.196 -4.549 -11.751 1.00 34.03 N ATOM 0 H ASN A 78 4.447 -6.271 -7.541 1.00 65.10 H new ATOM 0 HA ASN A 78 7.333 -5.889 -8.093 1.00 61.33 H new ATOM 0 HB2 ASN A 78 5.808 -6.809 -9.897 1.00 64.05 H new ATOM 0 HB3 ASN A 78 4.845 -5.349 -9.792 1.00 64.05 H new ATOM 0 HD21 ASN A 78 6.763 -4.079 -12.457 1.00 34.03 H new ATOM 0 HD22 ASN A 78 5.186 -4.619 -11.872 1.00 34.03 H new ATOM 1090 N TRP A 79 5.286 -3.668 -7.016 1.00 4.53 N ATOM 1091 CA TRP A 79 5.021 -2.246 -6.718 1.00 12.40 C ATOM 1092 C TRP A 79 6.239 -1.504 -6.136 1.00 12.51 C ATOM 1093 O TRP A 79 6.426 -0.319 -6.405 1.00 50.34 O ATOM 1094 CB TRP A 79 3.814 -2.118 -5.775 1.00 12.34 C ATOM 1095 CG TRP A 79 2.500 -2.360 -6.460 1.00 55.23 C ATOM 1096 CD1 TRP A 79 2.245 -3.268 -7.445 1.00 43.13 C ATOM 1097 CD2 TRP A 79 1.261 -1.682 -6.214 1.00 33.35 C ATOM 1098 NE1 TRP A 79 0.929 -3.199 -7.828 1.00 63.43 N ATOM 1099 CE2 TRP A 79 0.303 -2.231 -7.090 1.00 74.35 C ATOM 1100 CE3 TRP A 79 0.872 -0.663 -5.344 1.00 40.32 C ATOM 1101 CZ2 TRP A 79 -1.018 -1.794 -7.116 1.00 72.34 C ATOM 1102 CZ3 TRP A 79 -0.441 -0.232 -5.368 1.00 73.23 C ATOM 1103 CH2 TRP A 79 -1.373 -0.795 -6.251 1.00 50.44 C ATOM 0 H TRP A 79 4.667 -4.317 -6.530 1.00 4.53 H new ATOM 0 HA TRP A 79 4.798 -1.766 -7.671 1.00 12.40 H new ATOM 0 HB2 TRP A 79 3.925 -2.827 -4.955 1.00 12.34 H new ATOM 0 HB3 TRP A 79 3.809 -1.121 -5.335 1.00 12.34 H new ATOM 0 HD1 TRP A 79 2.975 -3.945 -7.864 1.00 43.13 H new ATOM 0 HE1 TRP A 79 0.489 -3.775 -8.546 1.00 63.43 H new ATOM 0 HE3 TRP A 79 1.584 -0.219 -4.664 1.00 40.32 H new ATOM 0 HZ2 TRP A 79 -1.737 -2.228 -7.795 1.00 72.34 H new ATOM 0 HZ3 TRP A 79 -0.754 0.552 -4.695 1.00 73.23 H new ATOM 0 HH2 TRP A 79 -2.391 -0.433 -6.248 1.00 50.44 H new ATOM 1114 N ALA A 80 7.066 -2.193 -5.353 1.00 31.31 N ATOM 1115 CA ALA A 80 8.279 -1.584 -4.786 1.00 71.11 C ATOM 1116 C ALA A 80 9.286 -1.215 -5.886 1.00 13.31 C ATOM 1117 O ALA A 80 9.778 -0.083 -5.942 1.00 15.35 O ATOM 1118 CB ALA A 80 8.920 -2.520 -3.764 1.00 10.43 C ATOM 0 H ALA A 80 6.924 -3.169 -5.094 1.00 31.31 H new ATOM 0 HA ALA A 80 7.986 -0.664 -4.281 1.00 71.11 H new ATOM 0 HB1 ALA A 80 9.816 -2.053 -3.355 1.00 10.43 H new ATOM 0 HB2 ALA A 80 8.213 -2.717 -2.958 1.00 10.43 H new ATOM 0 HB3 ALA A 80 9.189 -3.459 -4.249 1.00 10.43 H new ATOM 1124 N SER A 81 9.587 -2.174 -6.762 1.00 33.15 N ATOM 1125 CA SER A 81 10.479 -1.923 -7.905 1.00 64.45 C ATOM 1126 C SER A 81 9.866 -0.899 -8.871 1.00 2.13 C ATOM 1127 O SER A 81 10.547 0.013 -9.345 1.00 51.42 O ATOM 1128 CB SER A 81 10.773 -3.222 -8.667 1.00 75.54 C ATOM 1129 OG SER A 81 11.642 -2.985 -9.767 1.00 14.42 O ATOM 0 H SER A 81 9.231 -3.128 -6.707 1.00 33.15 H new ATOM 0 HA SER A 81 11.411 -1.522 -7.506 1.00 64.45 H new ATOM 0 HB2 SER A 81 11.225 -3.949 -7.992 1.00 75.54 H new ATOM 0 HB3 SER A 81 9.840 -3.657 -9.024 1.00 75.54 H new ATOM 0 HG SER A 81 11.815 -3.829 -10.235 1.00 14.42 H new ATOM 1135 N ALA A 82 8.572 -1.056 -9.149 1.00 4.52 N ATOM 1136 CA ALA A 82 7.837 -0.138 -10.027 1.00 73.25 C ATOM 1137 C ALA A 82 7.843 1.294 -9.472 1.00 34.42 C ATOM 1138 O ALA A 82 8.028 2.259 -10.215 1.00 42.20 O ATOM 1139 CB ALA A 82 6.407 -0.634 -10.221 1.00 34.01 C ATOM 0 H ALA A 82 8.004 -1.817 -8.776 1.00 4.52 H new ATOM 0 HA ALA A 82 8.339 -0.117 -10.994 1.00 73.25 H new ATOM 0 HB1 ALA A 82 5.869 0.053 -10.874 1.00 34.01 H new ATOM 0 HB2 ALA A 82 6.424 -1.626 -10.673 1.00 34.01 H new ATOM 0 HB3 ALA A 82 5.905 -0.684 -9.255 1.00 34.01 H new ATOM 1145 N ALA A 83 7.649 1.423 -8.159 1.00 14.20 N ATOM 1146 CA ALA A 83 7.733 2.720 -7.485 1.00 75.35 C ATOM 1147 C ALA A 83 9.106 3.358 -7.712 1.00 2.13 C ATOM 1148 O ALA A 83 9.208 4.501 -8.154 1.00 34.44 O ATOM 1149 CB ALA A 83 7.461 2.561 -5.993 1.00 52.23 C ATOM 0 H ALA A 83 7.432 0.643 -7.539 1.00 14.20 H new ATOM 0 HA ALA A 83 6.975 3.378 -7.909 1.00 75.35 H new ATOM 0 HB1 ALA A 83 7.527 3.534 -5.505 1.00 52.23 H new ATOM 0 HB2 ALA A 83 6.462 2.149 -5.847 1.00 52.23 H new ATOM 0 HB3 ALA A 83 8.199 1.887 -5.558 1.00 52.23 H new ATOM 1155 N SER A 84 10.160 2.600 -7.419 1.00 33.04 N ATOM 1156 CA SER A 84 11.540 3.052 -7.654 1.00 62.01 C ATOM 1157 C SER A 84 11.783 3.387 -9.136 1.00 33.21 C ATOM 1158 O SER A 84 12.540 4.302 -9.463 1.00 35.12 O ATOM 1159 CB SER A 84 12.538 1.980 -7.195 1.00 30.04 C ATOM 1160 OG SER A 84 13.876 2.349 -7.498 1.00 32.05 O ATOM 0 H SER A 84 10.090 1.665 -7.017 1.00 33.04 H new ATOM 0 HA SER A 84 11.690 3.961 -7.072 1.00 62.01 H new ATOM 0 HB2 SER A 84 12.437 1.824 -6.121 1.00 30.04 H new ATOM 0 HB3 SER A 84 12.303 1.032 -7.678 1.00 30.04 H new ATOM 0 HG SER A 84 14.487 1.646 -7.192 1.00 32.05 H new ATOM 1166 N SER A 85 11.130 2.645 -10.029 1.00 43.32 N ATOM 1167 CA SER A 85 11.245 2.879 -11.480 1.00 14.22 C ATOM 1168 C SER A 85 10.456 4.121 -11.925 1.00 30.21 C ATOM 1169 O SER A 85 10.775 4.741 -12.941 1.00 1.42 O ATOM 1170 CB SER A 85 10.755 1.646 -12.254 1.00 22.53 C ATOM 1171 OG SER A 85 10.782 1.855 -13.662 1.00 21.42 O ATOM 0 H SER A 85 10.512 1.873 -9.779 1.00 43.32 H new ATOM 0 HA SER A 85 12.298 3.056 -11.701 1.00 14.22 H new ATOM 0 HB2 SER A 85 11.379 0.789 -12.003 1.00 22.53 H new ATOM 0 HB3 SER A 85 9.739 1.403 -11.943 1.00 22.53 H new ATOM 0 HG SER A 85 10.465 1.048 -14.119 1.00 21.42 H new ATOM 1177 N ALA A 86 9.420 4.479 -11.169 1.00 65.35 N ATOM 1178 CA ALA A 86 8.596 5.655 -11.484 1.00 43.20 C ATOM 1179 C ALA A 86 8.969 6.873 -10.616 1.00 54.15 C ATOM 1180 O ALA A 86 8.344 7.931 -10.713 1.00 42.22 O ATOM 1181 CB ALA A 86 7.122 5.310 -11.319 1.00 60.12 C ATOM 0 H ALA A 86 9.127 3.974 -10.332 1.00 65.35 H new ATOM 0 HA ALA A 86 8.790 5.932 -12.520 1.00 43.20 H new ATOM 0 HB1 ALA A 86 6.515 6.185 -11.553 1.00 60.12 H new ATOM 0 HB2 ALA A 86 6.861 4.496 -11.995 1.00 60.12 H new ATOM 0 HB3 ALA A 86 6.933 5.003 -10.290 1.00 60.12 H new ATOM 1187 N GLY A 87 9.985 6.710 -9.768 1.00 21.25 N ATOM 1188 CA GLY A 87 10.472 7.815 -8.944 1.00 43.34 C ATOM 1189 C GLY A 87 9.612 8.096 -7.712 1.00 61.35 C ATOM 1190 O GLY A 87 9.363 9.254 -7.367 1.00 74.24 O ATOM 0 H GLY A 87 10.483 5.830 -9.635 1.00 21.25 H new ATOM 0 HA2 GLY A 87 11.489 7.594 -8.622 1.00 43.34 H new ATOM 0 HA3 GLY A 87 10.520 8.717 -9.555 1.00 43.34 H new ATOM 1194 N TYR A 88 9.164 7.043 -7.039 1.00 63.42 N ATOM 1195 CA TYR A 88 8.364 7.184 -5.814 1.00 13.13 C ATOM 1196 C TYR A 88 9.193 6.892 -4.554 1.00 23.11 C ATOM 1197 O TYR A 88 10.307 6.377 -4.632 1.00 71.45 O ATOM 1198 CB TYR A 88 7.128 6.277 -5.867 1.00 24.31 C ATOM 1199 CG TYR A 88 6.039 6.801 -6.787 1.00 24.35 C ATOM 1200 CD1 TYR A 88 6.034 6.495 -8.143 1.00 12.51 C ATOM 1201 CD2 TYR A 88 5.024 7.618 -6.298 1.00 3.31 C ATOM 1202 CE1 TYR A 88 5.049 6.984 -8.981 1.00 13.22 C ATOM 1203 CE2 TYR A 88 4.040 8.111 -7.132 1.00 41.44 C ATOM 1204 CZ TYR A 88 4.056 7.792 -8.471 1.00 33.43 C ATOM 1205 OH TYR A 88 3.080 8.289 -9.301 1.00 61.04 O ATOM 0 H TYR A 88 9.338 6.077 -7.316 1.00 63.42 H new ATOM 0 HA TYR A 88 8.035 8.222 -5.757 1.00 13.13 H new ATOM 0 HB2 TYR A 88 7.429 5.284 -6.200 1.00 24.31 H new ATOM 0 HB3 TYR A 88 6.723 6.167 -4.861 1.00 24.31 H new ATOM 0 HD1 TYR A 88 6.812 5.865 -8.548 1.00 12.51 H new ATOM 0 HD2 TYR A 88 5.006 7.871 -5.248 1.00 3.31 H new ATOM 0 HE1 TYR A 88 5.058 6.734 -10.032 1.00 13.22 H new ATOM 0 HE2 TYR A 88 3.261 8.745 -6.735 1.00 41.44 H new ATOM 0 HH TYR A 88 2.251 8.414 -8.793 1.00 61.04 H new ATOM 1215 N THR A 89 8.619 7.199 -3.392 1.00 73.41 N ATOM 1216 CA THR A 89 9.349 7.146 -2.113 1.00 20.33 C ATOM 1217 C THR A 89 9.108 5.830 -1.356 1.00 2.04 C ATOM 1218 O THR A 89 8.098 5.672 -0.667 1.00 71.22 O ATOM 1219 CB THR A 89 8.956 8.341 -1.207 1.00 12.22 C ATOM 1220 OG1 THR A 89 9.173 9.581 -1.903 1.00 3.22 O ATOM 1221 CG2 THR A 89 9.753 8.347 0.092 1.00 10.44 C ATOM 0 H THR A 89 7.645 7.489 -3.303 1.00 73.41 H new ATOM 0 HA THR A 89 10.410 7.204 -2.358 1.00 20.33 H new ATOM 0 HB THR A 89 7.900 8.233 -0.961 1.00 12.22 H new ATOM 0 HG1 THR A 89 8.920 10.330 -1.324 1.00 3.22 H new ATOM 0 HG21 THR A 89 9.450 9.199 0.701 1.00 10.44 H new ATOM 0 HG22 THR A 89 9.563 7.424 0.640 1.00 10.44 H new ATOM 0 HG23 THR A 89 10.817 8.423 -0.134 1.00 10.44 H new ATOM 1229 N VAL A 90 10.049 4.890 -1.474 1.00 20.22 N ATOM 1230 CA VAL A 90 9.915 3.571 -0.831 1.00 65.21 C ATOM 1231 C VAL A 90 10.690 3.488 0.502 1.00 15.12 C ATOM 1232 O VAL A 90 11.916 3.351 0.520 1.00 24.44 O ATOM 1233 CB VAL A 90 10.396 2.435 -1.771 1.00 33.31 C ATOM 1234 CG1 VAL A 90 10.153 1.063 -1.136 1.00 63.50 C ATOM 1235 CG2 VAL A 90 9.714 2.530 -3.135 1.00 63.12 C ATOM 0 H VAL A 90 10.911 5.012 -2.006 1.00 20.22 H new ATOM 0 HA VAL A 90 8.853 3.443 -0.620 1.00 65.21 H new ATOM 0 HB VAL A 90 11.469 2.554 -1.921 1.00 33.31 H new ATOM 0 HG11 VAL A 90 10.498 0.282 -1.814 1.00 63.50 H new ATOM 0 HG12 VAL A 90 10.700 0.995 -0.196 1.00 63.50 H new ATOM 0 HG13 VAL A 90 9.088 0.934 -0.946 1.00 63.50 H new ATOM 0 HG21 VAL A 90 10.068 1.723 -3.776 1.00 63.12 H new ATOM 0 HG22 VAL A 90 8.635 2.446 -3.009 1.00 63.12 H new ATOM 0 HG23 VAL A 90 9.952 3.489 -3.595 1.00 63.12 H new ATOM 1245 N ASN A 91 9.957 3.573 1.615 1.00 25.05 N ATOM 1246 CA ASN A 91 10.535 3.434 2.967 1.00 31.32 C ATOM 1247 C ASN A 91 9.605 2.602 3.861 1.00 75.43 C ATOM 1248 O ASN A 91 8.427 2.443 3.553 1.00 55.34 O ATOM 1249 CB ASN A 91 10.777 4.810 3.610 1.00 61.21 C ATOM 1250 CG ASN A 91 11.895 5.587 2.941 1.00 41.44 C ATOM 1251 OD1 ASN A 91 11.559 6.377 1.946 1.00 34.31 O flip ATOM 1252 ND2 ASN A 91 13.057 5.472 3.316 1.00 1.53 N flip ATOM 0 H ASN A 91 8.951 3.739 1.612 1.00 25.05 H new ATOM 0 HA ASN A 91 11.493 2.924 2.870 1.00 31.32 H new ATOM 0 HB2 ASN A 91 9.858 5.394 3.563 1.00 61.21 H new ATOM 0 HB3 ASN A 91 11.016 4.675 4.665 1.00 61.21 H new ATOM 0 HD21 ASN A 91 13.283 4.850 4.092 1.00 1.53 H new ATOM 0 HD22 ASN A 91 13.797 5.999 2.852 1.00 1.53 H new ATOM 1259 N ASN A 92 10.122 2.087 4.974 1.00 44.01 N ATOM 1260 CA ASN A 92 9.324 1.227 5.862 1.00 23.11 C ATOM 1261 C ASN A 92 8.513 2.036 6.888 1.00 51.12 C ATOM 1262 O ASN A 92 7.846 1.462 7.750 1.00 12.20 O ATOM 1263 CB ASN A 92 10.220 0.207 6.570 1.00 51.10 C ATOM 1264 CG ASN A 92 10.870 -0.745 5.587 1.00 75.34 C ATOM 1265 OD1 ASN A 92 11.976 -0.515 5.116 1.00 21.43 O ATOM 1266 ND2 ASN A 92 10.179 -1.814 5.251 1.00 3.33 N ATOM 0 H ASN A 92 11.080 2.245 5.286 1.00 44.01 H new ATOM 0 HA ASN A 92 8.608 0.697 5.234 1.00 23.11 H new ATOM 0 HB2 ASN A 92 10.992 0.730 7.134 1.00 51.10 H new ATOM 0 HB3 ASN A 92 9.629 -0.360 7.289 1.00 51.10 H new ATOM 0 HD21 ASN A 92 10.563 -2.479 4.580 1.00 3.33 H new ATOM 0 HD22 ASN A 92 9.260 -1.977 5.662 1.00 3.33 H new ATOM 1273 N SER A 93 8.573 3.364 6.790 1.00 11.24 N ATOM 1274 CA SER A 93 7.730 4.244 7.615 1.00 12.45 C ATOM 1275 C SER A 93 6.240 3.918 7.404 1.00 73.43 C ATOM 1276 O SER A 93 5.703 4.139 6.317 1.00 1.42 O ATOM 1277 CB SER A 93 7.992 5.719 7.267 1.00 31.12 C ATOM 1278 OG SER A 93 9.364 6.055 7.427 1.00 71.22 O ATOM 0 H SER A 93 9.194 3.858 6.150 1.00 11.24 H new ATOM 0 HA SER A 93 7.984 4.075 8.661 1.00 12.45 H new ATOM 0 HB2 SER A 93 7.687 5.911 6.239 1.00 31.12 H new ATOM 0 HB3 SER A 93 7.383 6.359 7.905 1.00 31.12 H new ATOM 0 HG SER A 93 9.499 6.998 7.197 1.00 71.22 H new ATOM 1284 N PRO A 94 5.551 3.393 8.439 1.00 14.41 N ATOM 1285 CA PRO A 94 4.169 2.889 8.305 1.00 73.31 C ATOM 1286 C PRO A 94 3.090 3.983 8.272 1.00 41.41 C ATOM 1287 O PRO A 94 1.908 3.676 8.127 1.00 75.13 O ATOM 1288 CB PRO A 94 4.010 2.017 9.556 1.00 31.14 C ATOM 1289 CG PRO A 94 4.876 2.675 10.577 1.00 51.34 C ATOM 1290 CD PRO A 94 6.057 3.241 9.820 1.00 52.43 C ATOM 0 HA PRO A 94 4.030 2.370 7.357 1.00 73.31 H new ATOM 0 HB2 PRO A 94 2.971 1.976 9.883 1.00 31.14 H new ATOM 0 HB3 PRO A 94 4.326 0.991 9.368 1.00 31.14 H new ATOM 0 HG2 PRO A 94 4.333 3.463 11.099 1.00 51.34 H new ATOM 0 HG3 PRO A 94 5.203 1.959 11.331 1.00 51.34 H new ATOM 0 HD2 PRO A 94 6.378 4.196 10.236 1.00 52.43 H new ATOM 0 HD3 PRO A 94 6.916 2.571 9.860 1.00 52.43 H new ATOM 1298 N GLU A 95 3.499 5.247 8.397 1.00 25.24 N ATOM 1299 CA GLU A 95 2.559 6.382 8.456 1.00 41.03 C ATOM 1300 C GLU A 95 1.497 6.341 7.335 1.00 43.43 C ATOM 1301 O GLU A 95 1.795 6.017 6.178 1.00 44.31 O ATOM 1302 CB GLU A 95 3.336 7.707 8.406 1.00 25.13 C ATOM 1303 CG GLU A 95 2.460 8.953 8.488 1.00 1.42 C ATOM 1304 CD GLU A 95 3.259 10.214 8.789 1.00 63.22 C ATOM 1305 OE1 GLU A 95 3.771 10.846 7.843 1.00 31.03 O ATOM 1306 OE2 GLU A 95 3.396 10.567 9.982 1.00 24.31 O ATOM 0 H GLU A 95 4.480 5.518 8.460 1.00 25.24 H new ATOM 0 HA GLU A 95 2.020 6.304 9.400 1.00 41.03 H new ATOM 0 HB2 GLU A 95 4.052 7.726 9.228 1.00 25.13 H new ATOM 0 HB3 GLU A 95 3.912 7.742 7.481 1.00 25.13 H new ATOM 0 HG2 GLU A 95 1.928 9.081 7.545 1.00 1.42 H new ATOM 0 HG3 GLU A 95 1.706 8.812 9.262 1.00 1.42 H new ATOM 1313 N ALA A 96 0.257 6.688 7.705 1.00 42.14 N ATOM 1314 CA ALA A 96 -0.895 6.644 6.792 1.00 55.23 C ATOM 1315 C ALA A 96 -0.689 7.492 5.526 1.00 4.52 C ATOM 1316 O ALA A 96 0.177 8.368 5.475 1.00 65.51 O ATOM 1317 CB ALA A 96 -2.161 7.086 7.524 1.00 72.11 C ATOM 0 H ALA A 96 0.023 7.007 8.645 1.00 42.14 H new ATOM 0 HA ALA A 96 -1.000 5.610 6.463 1.00 55.23 H new ATOM 0 HB1 ALA A 96 -3.008 7.050 6.839 1.00 72.11 H new ATOM 0 HB2 ALA A 96 -2.346 6.419 8.366 1.00 72.11 H new ATOM 0 HB3 ALA A 96 -2.033 8.105 7.890 1.00 72.11 H new ATOM 1323 N GLY A 97 -1.509 7.234 4.509 1.00 3.44 N ATOM 1324 CA GLY A 97 -1.356 7.913 3.227 1.00 42.41 C ATOM 1325 C GLY A 97 -0.285 7.267 2.355 1.00 60.30 C ATOM 1326 O GLY A 97 0.406 7.947 1.592 1.00 61.55 O ATOM 0 H GLY A 97 -2.279 6.566 4.548 1.00 3.44 H new ATOM 0 HA2 GLY A 97 -2.308 7.903 2.697 1.00 42.41 H new ATOM 0 HA3 GLY A 97 -1.099 8.958 3.400 1.00 42.41 H new ATOM 1330 N SER A 98 -0.147 5.948 2.474 1.00 60.14 N ATOM 1331 CA SER A 98 0.853 5.186 1.711 1.00 43.21 C ATOM 1332 C SER A 98 0.333 3.781 1.381 1.00 52.21 C ATOM 1333 O SER A 98 -0.695 3.358 1.902 1.00 22.55 O ATOM 1334 CB SER A 98 2.162 5.078 2.510 1.00 71.43 C ATOM 1335 OG SER A 98 1.979 4.349 3.714 1.00 63.21 O ATOM 0 H SER A 98 -0.718 5.376 3.096 1.00 60.14 H new ATOM 0 HA SER A 98 1.043 5.716 0.778 1.00 43.21 H new ATOM 0 HB2 SER A 98 2.922 4.590 1.900 1.00 71.43 H new ATOM 0 HB3 SER A 98 2.532 6.077 2.741 1.00 71.43 H new ATOM 0 HG SER A 98 1.931 4.972 4.469 1.00 63.21 H new ATOM 1341 N ILE A 99 1.031 3.067 0.499 1.00 25.24 N ATOM 1342 CA ILE A 99 0.660 1.685 0.148 1.00 30.13 C ATOM 1343 C ILE A 99 1.759 0.702 0.581 1.00 70.41 C ATOM 1344 O ILE A 99 2.911 0.853 0.186 1.00 51.42 O ATOM 1345 CB ILE A 99 0.424 1.510 -1.381 1.00 12.51 C ATOM 1346 CG1 ILE A 99 -0.691 2.447 -1.896 1.00 74.31 C ATOM 1347 CG2 ILE A 99 0.092 0.052 -1.710 1.00 22.23 C ATOM 1348 CD1 ILE A 99 -0.267 3.896 -2.055 1.00 42.00 C ATOM 0 H ILE A 99 1.856 3.416 0.012 1.00 25.24 H new ATOM 0 HA ILE A 99 -0.270 1.473 0.675 1.00 30.13 H new ATOM 0 HB ILE A 99 1.348 1.784 -1.890 1.00 12.51 H new ATOM 0 HG12 ILE A 99 -1.045 2.077 -2.858 1.00 74.31 H new ATOM 0 HG13 ILE A 99 -1.535 2.401 -1.207 1.00 74.31 H new ATOM 0 HG21 ILE A 99 -0.070 -0.051 -2.783 1.00 22.23 H new ATOM 0 HG22 ILE A 99 0.920 -0.588 -1.405 1.00 22.23 H new ATOM 0 HG23 ILE A 99 -0.811 -0.245 -1.177 1.00 22.23 H new ATOM 0 HD11 ILE A 99 -1.109 4.484 -2.420 1.00 42.00 H new ATOM 0 HD12 ILE A 99 0.058 4.288 -1.091 1.00 42.00 H new ATOM 0 HD13 ILE A 99 0.555 3.958 -2.768 1.00 42.00 H new ATOM 1360 N LEU A 100 1.416 -0.308 1.380 1.00 33.14 N ATOM 1361 CA LEU A 100 2.420 -1.284 1.832 1.00 61.44 C ATOM 1362 C LEU A 100 2.414 -2.549 0.962 1.00 42.31 C ATOM 1363 O LEU A 100 1.359 -3.090 0.625 1.00 44.22 O ATOM 1364 CB LEU A 100 2.230 -1.649 3.320 1.00 3.51 C ATOM 1365 CG LEU A 100 1.184 -2.732 3.660 1.00 24.30 C ATOM 1366 CD1 LEU A 100 1.157 -2.995 5.163 1.00 50.42 C ATOM 1367 CD2 LEU A 100 -0.207 -2.334 3.171 1.00 63.21 C ATOM 0 H LEU A 100 0.471 -0.475 1.725 1.00 33.14 H new ATOM 0 HA LEU A 100 3.394 -0.806 1.724 1.00 61.44 H new ATOM 0 HB2 LEU A 100 3.193 -1.977 3.712 1.00 3.51 H new ATOM 0 HB3 LEU A 100 1.960 -0.740 3.858 1.00 3.51 H new ATOM 0 HG LEU A 100 1.475 -3.648 3.145 1.00 24.30 H new ATOM 0 HD11 LEU A 100 0.414 -3.761 5.385 1.00 50.42 H new ATOM 0 HD12 LEU A 100 2.139 -3.336 5.490 1.00 50.42 H new ATOM 0 HD13 LEU A 100 0.898 -2.076 5.689 1.00 50.42 H new ATOM 0 HD21 LEU A 100 -0.920 -3.118 3.426 1.00 63.21 H new ATOM 0 HD22 LEU A 100 -0.507 -1.401 3.648 1.00 63.21 H new ATOM 0 HD23 LEU A 100 -0.188 -2.199 2.090 1.00 63.21 H new ATOM 1379 N GLN A 101 3.601 -3.007 0.586 1.00 1.23 N ATOM 1380 CA GLN A 101 3.750 -4.240 -0.181 1.00 2.14 C ATOM 1381 C GLN A 101 4.095 -5.422 0.739 1.00 54.23 C ATOM 1382 O GLN A 101 5.234 -5.575 1.183 1.00 25.35 O ATOM 1383 CB GLN A 101 4.815 -4.059 -1.270 1.00 61.11 C ATOM 1384 CG GLN A 101 5.119 -5.329 -2.060 1.00 63.02 C ATOM 1385 CD GLN A 101 5.942 -5.066 -3.310 1.00 11.13 C ATOM 1386 OE1 GLN A 101 5.819 -4.031 -3.940 1.00 54.43 O ATOM 1387 NE2 GLN A 101 6.800 -5.998 -3.670 1.00 33.25 N ATOM 0 H GLN A 101 4.482 -2.540 0.801 1.00 1.23 H new ATOM 0 HA GLN A 101 2.799 -4.466 -0.663 1.00 2.14 H new ATOM 0 HB2 GLN A 101 4.484 -3.284 -1.961 1.00 61.11 H new ATOM 0 HB3 GLN A 101 5.735 -3.702 -0.808 1.00 61.11 H new ATOM 0 HG2 GLN A 101 5.655 -6.030 -1.419 1.00 63.02 H new ATOM 0 HG3 GLN A 101 4.182 -5.808 -2.343 1.00 63.02 H new ATOM 0 HE21 GLN A 101 6.881 -6.855 -3.123 1.00 33.25 H new ATOM 0 HE22 GLN A 101 7.383 -5.863 -4.496 1.00 33.25 H new ATOM 1396 N SER A 102 3.089 -6.239 1.035 1.00 23.24 N ATOM 1397 CA SER A 102 3.254 -7.409 1.909 1.00 64.21 C ATOM 1398 C SER A 102 3.915 -8.581 1.177 1.00 64.41 C ATOM 1399 O SER A 102 4.611 -9.386 1.792 1.00 31.01 O ATOM 1400 CB SER A 102 1.892 -7.854 2.467 1.00 42.33 C ATOM 1401 OG SER A 102 1.994 -9.098 3.141 1.00 53.15 O ATOM 0 H SER A 102 2.140 -6.115 0.682 1.00 23.24 H new ATOM 0 HA SER A 102 3.908 -7.111 2.728 1.00 64.21 H new ATOM 0 HB2 SER A 102 1.512 -7.096 3.152 1.00 42.33 H new ATOM 0 HB3 SER A 102 1.172 -7.937 1.653 1.00 42.33 H new ATOM 0 HG SER A 102 2.526 -8.986 3.956 1.00 53.15 H new ATOM 1466 N GLY A 108 1.558 -11.560 -4.774 1.00 45.05 N ATOM 1467 CA GLY A 108 1.854 -10.477 -3.853 1.00 24.01 C ATOM 1468 C GLY A 108 0.609 -9.897 -3.188 1.00 22.44 C ATOM 1469 O GLY A 108 -0.514 -10.326 -3.457 1.00 41.32 O ATOM 0 HA2 GLY A 108 2.534 -10.840 -3.082 1.00 24.01 H new ATOM 0 HA3 GLY A 108 2.374 -9.684 -4.390 1.00 24.01 H new ATOM 1473 N HIS A 109 0.810 -8.915 -2.316 1.00 24.42 N ATOM 1474 CA HIS A 109 -0.302 -8.230 -1.651 1.00 12.34 C ATOM 1475 C HIS A 109 0.058 -6.774 -1.348 1.00 14.25 C ATOM 1476 O HIS A 109 1.132 -6.487 -0.813 1.00 52.24 O ATOM 1477 CB HIS A 109 -0.700 -8.952 -0.357 1.00 64.02 C ATOM 1478 CG HIS A 109 -1.825 -8.278 0.373 1.00 43.00 C ATOM 1479 ND1 HIS A 109 -3.025 -8.030 -0.246 1.00 5.21 N ATOM 1480 CD2 HIS A 109 -1.873 -7.792 1.639 1.00 64.51 C ATOM 1481 CE1 HIS A 109 -3.772 -7.402 0.644 1.00 2.52 C ATOM 1482 NE2 HIS A 109 -3.117 -7.236 1.806 1.00 64.14 N ATOM 0 H HIS A 109 1.733 -8.572 -2.050 1.00 24.42 H new ATOM 0 HA HIS A 109 -1.153 -8.246 -2.332 1.00 12.34 H new ATOM 0 HB2 HIS A 109 -0.991 -9.975 -0.594 1.00 64.02 H new ATOM 0 HB3 HIS A 109 0.168 -9.011 0.300 1.00 64.02 H new ATOM 0 HD1 HIS A 109 -3.287 -8.280 -1.200 1.00 5.21 H new ATOM 0 HD2 HIS A 109 -1.083 -7.834 2.375 1.00 64.51 H new ATOM 0 HE1 HIS A 109 -4.782 -7.065 0.461 1.00 2.52 H new ATOM 1490 N VAL A 110 -0.839 -5.862 -1.706 1.00 22.24 N ATOM 1491 CA VAL A 110 -0.658 -4.429 -1.451 1.00 70.50 C ATOM 1492 C VAL A 110 -1.955 -3.814 -0.917 1.00 14.10 C ATOM 1493 O VAL A 110 -3.049 -4.267 -1.259 1.00 70.44 O ATOM 1494 CB VAL A 110 -0.223 -3.665 -2.729 1.00 34.21 C ATOM 1495 CG1 VAL A 110 1.180 -4.079 -3.163 1.00 71.51 C ATOM 1496 CG2 VAL A 110 -1.230 -3.882 -3.859 1.00 70.02 C ATOM 0 H VAL A 110 -1.713 -6.090 -2.181 1.00 22.24 H new ATOM 0 HA VAL A 110 0.133 -4.334 -0.707 1.00 70.50 H new ATOM 0 HB VAL A 110 -0.200 -2.601 -2.495 1.00 34.21 H new ATOM 0 HG11 VAL A 110 1.460 -3.529 -4.061 1.00 71.51 H new ATOM 0 HG12 VAL A 110 1.888 -3.856 -2.365 1.00 71.51 H new ATOM 0 HG13 VAL A 110 1.195 -5.148 -3.373 1.00 71.51 H new ATOM 0 HG21 VAL A 110 -0.905 -3.337 -4.745 1.00 70.02 H new ATOM 0 HG22 VAL A 110 -1.294 -4.945 -4.090 1.00 70.02 H new ATOM 0 HG23 VAL A 110 -2.209 -3.518 -3.548 1.00 70.02 H new ATOM 1506 N ALA A 111 -1.835 -2.789 -0.080 1.00 62.53 N ATOM 1507 CA ALA A 111 -3.012 -2.138 0.501 1.00 15.41 C ATOM 1508 C ALA A 111 -2.719 -0.692 0.923 1.00 15.32 C ATOM 1509 O ALA A 111 -1.580 -0.342 1.243 1.00 5.12 O ATOM 1510 CB ALA A 111 -3.524 -2.946 1.690 1.00 24.23 C ATOM 0 H ALA A 111 -0.943 -2.390 0.212 1.00 62.53 H new ATOM 0 HA ALA A 111 -3.783 -2.101 -0.269 1.00 15.41 H new ATOM 0 HB1 ALA A 111 -4.399 -2.454 2.115 1.00 24.23 H new ATOM 0 HB2 ALA A 111 -3.797 -3.948 1.359 1.00 24.23 H new ATOM 0 HB3 ALA A 111 -2.743 -3.014 2.447 1.00 24.23 H new ATOM 1516 N TYR A 112 -3.753 0.143 0.919 1.00 33.22 N ATOM 1517 CA TYR A 112 -3.630 1.533 1.359 1.00 12.43 C ATOM 1518 C TYR A 112 -3.682 1.627 2.891 1.00 32.03 C ATOM 1519 O TYR A 112 -4.581 1.080 3.527 1.00 52.32 O ATOM 1520 CB TYR A 112 -4.747 2.388 0.733 1.00 63.11 C ATOM 1521 CG TYR A 112 -4.811 3.811 1.266 1.00 52.11 C ATOM 1522 CD1 TYR A 112 -3.995 4.814 0.746 1.00 21.22 C ATOM 1523 CD2 TYR A 112 -5.683 4.148 2.298 1.00 44.23 C ATOM 1524 CE1 TYR A 112 -4.051 6.105 1.238 1.00 63.15 C ATOM 1525 CE2 TYR A 112 -5.743 5.435 2.791 1.00 11.54 C ATOM 1526 CZ TYR A 112 -4.926 6.408 2.262 1.00 42.01 C ATOM 1527 OH TYR A 112 -4.982 7.692 2.760 1.00 20.20 O ATOM 0 H TYR A 112 -4.691 -0.118 0.615 1.00 33.22 H new ATOM 0 HA TYR A 112 -2.665 1.915 1.027 1.00 12.43 H new ATOM 0 HB2 TYR A 112 -4.602 2.422 -0.347 1.00 63.11 H new ATOM 0 HB3 TYR A 112 -5.706 1.901 0.911 1.00 63.11 H new ATOM 0 HD1 TYR A 112 -3.308 4.579 -0.054 1.00 21.22 H new ATOM 0 HD2 TYR A 112 -6.324 3.388 2.720 1.00 44.23 H new ATOM 0 HE1 TYR A 112 -3.414 6.872 0.824 1.00 63.15 H new ATOM 0 HE2 TYR A 112 -6.429 5.678 3.589 1.00 11.54 H new ATOM 0 HH TYR A 112 -5.650 7.736 3.476 1.00 20.20 H new ATOM 1537 N VAL A 113 -2.710 2.313 3.475 1.00 42.50 N ATOM 1538 CA VAL A 113 -2.672 2.522 4.924 1.00 3.13 C ATOM 1539 C VAL A 113 -3.702 3.578 5.357 1.00 23.22 C ATOM 1540 O VAL A 113 -3.500 4.784 5.172 1.00 64.11 O ATOM 1541 CB VAL A 113 -1.262 2.951 5.396 1.00 33.43 C ATOM 1542 CG1 VAL A 113 -1.217 3.093 6.918 1.00 44.13 C ATOM 1543 CG2 VAL A 113 -0.208 1.959 4.910 1.00 34.12 C ATOM 0 H VAL A 113 -1.932 2.738 2.970 1.00 42.50 H new ATOM 0 HA VAL A 113 -2.922 1.569 5.391 1.00 3.13 H new ATOM 0 HB VAL A 113 -1.038 3.925 4.962 1.00 33.43 H new ATOM 0 HG11 VAL A 113 -0.216 3.395 7.226 1.00 44.13 H new ATOM 0 HG12 VAL A 113 -1.937 3.847 7.234 1.00 44.13 H new ATOM 0 HG13 VAL A 113 -1.466 2.138 7.380 1.00 44.13 H new ATOM 0 HG21 VAL A 113 0.777 2.278 5.252 1.00 34.12 H new ATOM 0 HG22 VAL A 113 -0.428 0.969 5.310 1.00 34.12 H new ATOM 0 HG23 VAL A 113 -0.219 1.921 3.821 1.00 34.12 H new ATOM 1553 N GLU A 114 -4.810 3.101 5.910 1.00 35.53 N ATOM 1554 CA GLU A 114 -5.899 3.959 6.381 1.00 71.42 C ATOM 1555 C GLU A 114 -5.428 4.889 7.512 1.00 4.51 C ATOM 1556 O GLU A 114 -5.504 6.116 7.401 1.00 44.34 O ATOM 1557 CB GLU A 114 -7.059 3.079 6.882 1.00 22.31 C ATOM 1558 CG GLU A 114 -7.555 2.045 5.861 1.00 21.01 C ATOM 1559 CD GLU A 114 -8.470 2.622 4.784 1.00 21.12 C ATOM 1560 OE1 GLU A 114 -8.477 3.854 4.579 1.00 34.31 O ATOM 1561 OE2 GLU A 114 -9.203 1.840 4.142 1.00 70.12 O ATOM 0 H GLU A 114 -4.983 2.105 6.047 1.00 35.53 H new ATOM 0 HA GLU A 114 -6.233 4.581 5.550 1.00 71.42 H new ATOM 0 HB2 GLU A 114 -6.740 2.557 7.784 1.00 22.31 H new ATOM 0 HB3 GLU A 114 -7.892 3.723 7.164 1.00 22.31 H new ATOM 0 HG2 GLU A 114 -6.693 1.582 5.381 1.00 21.01 H new ATOM 0 HG3 GLU A 114 -8.088 1.255 6.390 1.00 21.01 H new ATOM 1568 N ASN A 115 -4.927 4.286 8.589 1.00 30.45 N ATOM 1569 CA ASN A 115 -4.477 5.030 9.771 1.00 3.52 C ATOM 1570 C ASN A 115 -3.550 4.174 10.653 1.00 42.03 C ATOM 1571 O ASN A 115 -3.685 2.951 10.709 1.00 4.01 O ATOM 1572 CB ASN A 115 -5.694 5.499 10.584 1.00 62.41 C ATOM 1573 CG ASN A 115 -5.306 6.181 11.884 1.00 23.31 C ATOM 1574 OD1 ASN A 115 -5.068 7.381 11.924 1.00 75.31 O ATOM 1575 ND2 ASN A 115 -5.253 5.421 12.960 1.00 23.55 N ATOM 0 H ASN A 115 -4.821 3.275 8.670 1.00 30.45 H new ATOM 0 HA ASN A 115 -3.909 5.897 9.432 1.00 3.52 H new ATOM 0 HB2 ASN A 115 -6.285 6.188 9.980 1.00 62.41 H new ATOM 0 HB3 ASN A 115 -6.330 4.642 10.805 1.00 62.41 H new ATOM 0 HD21 ASN A 115 -5.008 5.830 13.862 1.00 23.55 H new ATOM 0 HD22 ASN A 115 -5.457 4.424 12.891 1.00 23.55 H new ATOM 1582 N VAL A 116 -2.603 4.823 11.326 1.00 70.41 N ATOM 1583 CA VAL A 116 -1.717 4.144 12.282 1.00 1.35 C ATOM 1584 C VAL A 116 -1.954 4.665 13.707 1.00 61.12 C ATOM 1585 O VAL A 116 -2.116 5.867 13.919 1.00 13.41 O ATOM 1586 CB VAL A 116 -0.222 4.329 11.911 1.00 73.14 C ATOM 1587 CG1 VAL A 116 0.681 3.566 12.882 1.00 43.13 C ATOM 1588 CG2 VAL A 116 0.032 3.889 10.470 1.00 23.02 C ATOM 0 H VAL A 116 -2.425 5.823 11.230 1.00 70.41 H new ATOM 0 HA VAL A 116 -1.955 3.081 12.238 1.00 1.35 H new ATOM 0 HB VAL A 116 0.020 5.389 11.992 1.00 73.14 H new ATOM 0 HG11 VAL A 116 1.724 3.712 12.600 1.00 43.13 H new ATOM 0 HG12 VAL A 116 0.523 3.938 13.894 1.00 43.13 H new ATOM 0 HG13 VAL A 116 0.440 2.504 12.844 1.00 43.13 H new ATOM 0 HG21 VAL A 116 1.086 4.026 10.228 1.00 23.02 H new ATOM 0 HG22 VAL A 116 -0.232 2.837 10.359 1.00 23.02 H new ATOM 0 HG23 VAL A 116 -0.577 4.489 9.794 1.00 23.02 H new ATOM 1598 N ASN A 117 -1.985 3.758 14.680 1.00 61.43 N ATOM 1599 CA ASN A 117 -2.232 4.133 16.078 1.00 13.34 C ATOM 1600 C ASN A 117 -0.956 4.027 16.931 1.00 53.20 C ATOM 1601 O ASN A 117 -0.085 3.197 16.665 1.00 45.21 O ATOM 1602 CB ASN A 117 -3.351 3.272 16.662 1.00 13.10 C ATOM 1603 CG ASN A 117 -4.659 3.460 15.914 1.00 41.21 C ATOM 1604 OD1 ASN A 117 -5.447 4.348 16.225 1.00 54.21 O ATOM 1605 ND2 ASN A 117 -4.902 2.625 14.925 1.00 23.31 N ATOM 0 H ASN A 117 -1.843 2.759 14.531 1.00 61.43 H new ATOM 0 HA ASN A 117 -2.544 5.177 16.096 1.00 13.34 H new ATOM 0 HB2 ASN A 117 -3.059 2.223 16.624 1.00 13.10 H new ATOM 0 HB3 ASN A 117 -3.494 3.526 17.712 1.00 13.10 H new ATOM 0 HD21 ASN A 117 -5.767 2.705 14.391 1.00 23.31 H new ATOM 0 HD22 ASN A 117 -4.225 1.898 14.693 1.00 23.31 H new ATOM 1612 N SER A 118 -0.875 4.864 17.967 1.00 41.24 N ATOM 1613 CA SER A 118 0.353 5.026 18.768 1.00 44.12 C ATOM 1614 C SER A 118 0.795 3.737 19.472 1.00 21.44 C ATOM 1615 O SER A 118 1.992 3.479 19.599 1.00 42.44 O ATOM 1616 CB SER A 118 0.161 6.134 19.810 1.00 61.22 C ATOM 1617 OG SER A 118 -0.190 7.367 19.195 1.00 60.41 O ATOM 0 H SER A 118 -1.651 5.448 18.278 1.00 41.24 H new ATOM 0 HA SER A 118 1.142 5.294 18.066 1.00 44.12 H new ATOM 0 HB2 SER A 118 -0.618 5.842 20.515 1.00 61.22 H new ATOM 0 HB3 SER A 118 1.079 6.260 20.384 1.00 61.22 H new ATOM 0 HG SER A 118 -0.308 8.054 19.884 1.00 60.41 H new ATOM 1623 N ASP A 119 -0.158 2.938 19.950 1.00 73.44 N ATOM 1624 CA ASP A 119 0.169 1.676 20.632 1.00 63.32 C ATOM 1625 C ASP A 119 1.030 0.765 19.736 1.00 24.31 C ATOM 1626 O ASP A 119 2.021 0.184 20.187 1.00 24.52 O ATOM 1627 CB ASP A 119 -1.112 0.948 21.057 1.00 11.12 C ATOM 1628 CG ASP A 119 -0.827 -0.407 21.690 1.00 4.23 C ATOM 1629 OD1 ASP A 119 -0.322 -0.441 22.831 1.00 64.15 O ATOM 1630 OD2 ASP A 119 -1.090 -1.447 21.040 1.00 10.22 O ATOM 0 H ASP A 119 -1.156 3.135 19.881 1.00 73.44 H new ATOM 0 HA ASP A 119 0.748 1.918 21.523 1.00 63.32 H new ATOM 0 HB2 ASP A 119 -1.661 1.568 21.765 1.00 11.12 H new ATOM 0 HB3 ASP A 119 -1.755 0.812 20.187 1.00 11.12 H new ATOM 1635 N GLY A 120 0.644 0.644 18.469 1.00 22.15 N ATOM 1636 CA GLY A 120 1.424 -0.142 17.517 1.00 41.11 C ATOM 1637 C GLY A 120 0.565 -1.009 16.607 1.00 51.32 C ATOM 1638 O GLY A 120 0.658 -2.238 16.626 1.00 32.30 O ATOM 0 H GLY A 120 -0.195 1.075 18.080 1.00 22.15 H new ATOM 0 HA2 GLY A 120 2.024 0.532 16.905 1.00 41.11 H new ATOM 0 HA3 GLY A 120 2.119 -0.779 18.065 1.00 41.11 H new ATOM 1642 N SER A 121 -0.279 -0.370 15.805 1.00 4.22 N ATOM 1643 CA SER A 121 -1.111 -1.088 14.833 1.00 34.11 C ATOM 1644 C SER A 121 -1.351 -0.248 13.578 1.00 65.44 C ATOM 1645 O SER A 121 -1.673 0.941 13.661 1.00 73.12 O ATOM 1646 CB SER A 121 -2.458 -1.487 15.446 1.00 22.43 C ATOM 1647 OG SER A 121 -2.295 -2.358 16.559 1.00 22.15 O ATOM 0 H SER A 121 -0.409 0.642 15.805 1.00 4.22 H new ATOM 0 HA SER A 121 -0.568 -1.990 14.553 1.00 34.11 H new ATOM 0 HB2 SER A 121 -2.994 -0.591 15.761 1.00 22.43 H new ATOM 0 HB3 SER A 121 -3.071 -1.976 14.689 1.00 22.43 H new ATOM 0 HG SER A 121 -3.174 -2.590 16.925 1.00 22.15 H new ATOM 1653 N VAL A 122 -1.193 -0.883 12.423 1.00 72.42 N ATOM 1654 CA VAL A 122 -1.399 -0.232 11.126 1.00 50.15 C ATOM 1655 C VAL A 122 -2.684 -0.740 10.453 1.00 65.42 C ATOM 1656 O VAL A 122 -2.817 -1.927 10.151 1.00 32.53 O ATOM 1657 CB VAL A 122 -0.193 -0.475 10.180 1.00 13.12 C ATOM 1658 CG1 VAL A 122 -0.413 0.189 8.821 1.00 25.43 C ATOM 1659 CG2 VAL A 122 1.099 0.022 10.826 1.00 73.54 C ATOM 0 H VAL A 122 -0.919 -1.863 12.354 1.00 72.42 H new ATOM 0 HA VAL A 122 -1.493 0.838 11.313 1.00 50.15 H new ATOM 0 HB VAL A 122 -0.105 -1.548 10.012 1.00 13.12 H new ATOM 0 HG11 VAL A 122 0.449 0.001 8.180 1.00 25.43 H new ATOM 0 HG12 VAL A 122 -1.308 -0.223 8.355 1.00 25.43 H new ATOM 0 HG13 VAL A 122 -0.537 1.263 8.957 1.00 25.43 H new ATOM 0 HG21 VAL A 122 1.935 -0.156 10.150 1.00 73.54 H new ATOM 0 HG22 VAL A 122 1.017 1.090 11.029 1.00 73.54 H new ATOM 0 HG23 VAL A 122 1.268 -0.513 11.761 1.00 73.54 H new ATOM 1669 N GLU A 123 -3.629 0.167 10.237 1.00 3.10 N ATOM 1670 CA GLU A 123 -4.909 -0.172 9.609 1.00 24.23 C ATOM 1671 C GLU A 123 -4.815 -0.070 8.077 1.00 5.23 C ATOM 1672 O GLU A 123 -4.561 1.005 7.533 1.00 5.03 O ATOM 1673 CB GLU A 123 -6.001 0.762 10.150 1.00 43.24 C ATOM 1674 CG GLU A 123 -6.106 0.739 11.674 1.00 62.21 C ATOM 1675 CD GLU A 123 -7.082 1.766 12.232 1.00 74.50 C ATOM 1676 OE1 GLU A 123 -8.291 1.469 12.298 1.00 52.35 O ATOM 1677 OE2 GLU A 123 -6.641 2.867 12.629 1.00 62.33 O ATOM 0 H GLU A 123 -3.536 1.151 10.488 1.00 3.10 H new ATOM 0 HA GLU A 123 -5.163 -1.203 9.854 1.00 24.23 H new ATOM 0 HB2 GLU A 123 -5.796 1.781 9.821 1.00 43.24 H new ATOM 0 HB3 GLU A 123 -6.961 0.476 9.721 1.00 43.24 H new ATOM 0 HG2 GLU A 123 -6.416 -0.256 11.994 1.00 62.21 H new ATOM 0 HG3 GLU A 123 -5.119 0.918 12.101 1.00 62.21 H new ATOM 1684 N VAL A 124 -5.012 -1.198 7.388 1.00 42.11 N ATOM 1685 CA VAL A 124 -4.858 -1.257 5.924 1.00 71.54 C ATOM 1686 C VAL A 124 -6.180 -1.584 5.207 1.00 31.02 C ATOM 1687 O VAL A 124 -7.043 -2.282 5.742 1.00 21.54 O ATOM 1688 CB VAL A 124 -3.783 -2.297 5.515 1.00 21.10 C ATOM 1689 CG1 VAL A 124 -2.437 -1.951 6.149 1.00 13.13 C ATOM 1690 CG2 VAL A 124 -4.219 -3.714 5.889 1.00 23.10 C ATOM 0 H VAL A 124 -5.278 -2.084 7.817 1.00 42.11 H new ATOM 0 HA VAL A 124 -4.539 -0.262 5.612 1.00 71.54 H new ATOM 0 HB VAL A 124 -3.669 -2.262 4.432 1.00 21.10 H new ATOM 0 HG11 VAL A 124 -1.694 -2.691 5.852 1.00 13.13 H new ATOM 0 HG12 VAL A 124 -2.120 -0.963 5.814 1.00 13.13 H new ATOM 0 HG13 VAL A 124 -2.535 -1.951 7.235 1.00 13.13 H new ATOM 0 HG21 VAL A 124 -3.447 -4.423 5.591 1.00 23.10 H new ATOM 0 HG22 VAL A 124 -4.371 -3.775 6.967 1.00 23.10 H new ATOM 0 HG23 VAL A 124 -5.150 -3.955 5.377 1.00 23.10 H new ATOM 1700 N SER A 125 -6.312 -1.080 3.985 1.00 11.34 N ATOM 1701 CA SER A 125 -7.525 -1.260 3.173 1.00 63.53 C ATOM 1702 C SER A 125 -7.593 -2.656 2.533 1.00 51.24 C ATOM 1703 O SER A 125 -6.635 -3.093 1.895 1.00 34.24 O ATOM 1704 CB SER A 125 -7.554 -0.216 2.052 1.00 62.13 C ATOM 1705 OG SER A 125 -6.496 -0.429 1.121 1.00 22.44 O ATOM 0 H SER A 125 -5.585 -0.534 3.523 1.00 11.34 H new ATOM 0 HA SER A 125 -8.378 -1.143 3.841 1.00 63.53 H new ATOM 0 HB2 SER A 125 -8.512 -0.261 1.534 1.00 62.13 H new ATOM 0 HB3 SER A 125 -7.470 0.783 2.480 1.00 62.13 H new ATOM 0 HG SER A 125 -6.203 -1.363 1.167 1.00 22.44 H new ATOM 1711 N GLU A 126 -8.728 -3.344 2.678 1.00 13.44 N ATOM 1712 CA GLU A 126 -8.938 -4.640 2.004 1.00 23.11 C ATOM 1713 C GLU A 126 -10.388 -4.823 1.531 1.00 64.24 C ATOM 1714 O GLU A 126 -11.327 -4.354 2.165 1.00 75.24 O ATOM 1715 CB GLU A 126 -8.559 -5.820 2.914 1.00 52.11 C ATOM 1716 CG GLU A 126 -7.072 -5.906 3.248 1.00 31.45 C ATOM 1717 CD GLU A 126 -6.683 -7.236 3.872 1.00 33.23 C ATOM 1718 OE1 GLU A 126 -7.562 -7.912 4.452 1.00 51.23 O ATOM 1719 OE2 GLU A 126 -5.493 -7.613 3.786 1.00 74.34 O ATOM 0 H GLU A 126 -9.514 -3.034 3.250 1.00 13.44 H new ATOM 0 HA GLU A 126 -8.284 -4.630 1.132 1.00 23.11 H new ATOM 0 HB2 GLU A 126 -9.124 -5.743 3.843 1.00 52.11 H new ATOM 0 HB3 GLU A 126 -8.865 -6.748 2.431 1.00 52.11 H new ATOM 0 HG2 GLU A 126 -6.491 -5.753 2.339 1.00 31.45 H new ATOM 0 HG3 GLU A 126 -6.811 -5.099 3.933 1.00 31.45 H new ATOM 1726 N MET A 127 -10.554 -5.519 0.407 1.00 23.44 N ATOM 1727 CA MET A 127 -11.884 -5.867 -0.114 1.00 23.25 C ATOM 1728 C MET A 127 -12.240 -7.318 0.259 1.00 15.24 C ATOM 1729 O MET A 127 -11.350 -8.134 0.513 1.00 3.45 O ATOM 1730 CB MET A 127 -11.918 -5.686 -1.642 1.00 54.32 C ATOM 1731 CG MET A 127 -13.273 -5.982 -2.277 1.00 72.11 C ATOM 1732 SD MET A 127 -14.577 -4.879 -1.696 1.00 12.40 S ATOM 1733 CE MET A 127 -14.016 -3.310 -2.355 1.00 72.54 C ATOM 0 H MET A 127 -9.781 -5.857 -0.167 1.00 23.44 H new ATOM 0 HA MET A 127 -12.621 -5.201 0.335 1.00 23.25 H new ATOM 0 HB2 MET A 127 -11.633 -4.662 -1.882 1.00 54.32 H new ATOM 0 HB3 MET A 127 -11.169 -6.338 -2.091 1.00 54.32 H new ATOM 0 HG2 MET A 127 -13.187 -5.896 -3.360 1.00 72.11 H new ATOM 0 HG3 MET A 127 -13.553 -7.013 -2.060 1.00 72.11 H new ATOM 0 HE1 MET A 127 -14.877 -2.709 -2.647 1.00 72.54 H new ATOM 0 HE2 MET A 127 -13.445 -2.779 -1.594 1.00 72.54 H new ATOM 0 HE3 MET A 127 -13.384 -3.486 -3.225 1.00 72.54 H new ATOM 1878 N GLU A 138 -11.088 -2.424 6.718 1.00 72.34 N ATOM 1879 CA GLU A 138 -9.817 -1.976 7.311 1.00 40.33 C ATOM 1880 C GLU A 138 -9.226 -3.038 8.260 1.00 34.14 C ATOM 1881 O GLU A 138 -9.688 -3.196 9.391 1.00 41.33 O ATOM 1882 CB GLU A 138 -10.043 -0.661 8.080 1.00 4.24 C ATOM 1883 CG GLU A 138 -10.557 0.483 7.210 1.00 1.34 C ATOM 1884 CD GLU A 138 -11.079 1.661 8.020 1.00 72.13 C ATOM 1885 OE1 GLU A 138 -10.276 2.535 8.415 1.00 5.03 O ATOM 1886 OE2 GLU A 138 -12.304 1.723 8.257 1.00 51.13 O ATOM 0 HA GLU A 138 -9.104 -1.818 6.501 1.00 40.33 H new ATOM 0 HB2 GLU A 138 -10.755 -0.840 8.886 1.00 4.24 H new ATOM 0 HB3 GLU A 138 -9.105 -0.358 8.545 1.00 4.24 H new ATOM 0 HG2 GLU A 138 -9.753 0.826 6.558 1.00 1.34 H new ATOM 0 HG3 GLU A 138 -11.354 0.112 6.565 1.00 1.34 H new ATOM 1893 N ARG A 139 -8.207 -3.766 7.797 1.00 53.21 N ATOM 1894 CA ARG A 139 -7.536 -4.769 8.638 1.00 33.33 C ATOM 1895 C ARG A 139 -6.535 -4.094 9.593 1.00 10.52 C ATOM 1896 O ARG A 139 -5.647 -3.362 9.156 1.00 23.33 O ATOM 1897 CB ARG A 139 -6.795 -5.814 7.781 1.00 33.24 C ATOM 1898 CG ARG A 139 -6.195 -6.952 8.614 1.00 50.14 C ATOM 1899 CD ARG A 139 -5.255 -7.851 7.810 1.00 34.43 C ATOM 1900 NE ARG A 139 -5.918 -8.506 6.684 1.00 22.20 N ATOM 1901 CZ ARG A 139 -5.691 -9.734 6.303 1.00 64.53 C ATOM 1902 NH1 ARG A 139 -4.905 -10.507 6.979 1.00 60.32 N ATOM 1903 NH2 ARG A 139 -6.272 -10.192 5.245 1.00 5.02 N ATOM 0 H ARG A 139 -7.829 -3.684 6.853 1.00 53.21 H new ATOM 0 HA ARG A 139 -8.308 -5.275 9.218 1.00 33.33 H new ATOM 0 HB2 ARG A 139 -7.486 -6.232 7.049 1.00 33.24 H new ATOM 0 HB3 ARG A 139 -5.999 -5.320 7.223 1.00 33.24 H new ATOM 0 HG2 ARG A 139 -5.650 -6.529 9.458 1.00 50.14 H new ATOM 0 HG3 ARG A 139 -7.002 -7.557 9.027 1.00 50.14 H new ATOM 0 HD2 ARG A 139 -4.421 -7.256 7.438 1.00 34.43 H new ATOM 0 HD3 ARG A 139 -4.835 -8.610 8.469 1.00 34.43 H new ATOM 0 HE ARG A 139 -6.606 -7.966 6.159 1.00 22.20 H new ATOM 0 HH11 ARG A 139 -4.451 -10.160 7.824 1.00 60.32 H new ATOM 0 HH12 ARG A 139 -4.739 -11.464 6.667 1.00 60.32 H new ATOM 0 HH21 ARG A 139 -6.904 -9.595 4.712 1.00 5.02 H new ATOM 0 HH22 ARG A 139 -6.099 -11.151 4.942 1.00 5.02 H new ATOM 1917 N THR A 140 -6.675 -4.349 10.892 1.00 2.05 N ATOM 1918 CA THR A 140 -5.772 -3.763 11.897 1.00 3.21 C ATOM 1919 C THR A 140 -4.577 -4.692 12.167 1.00 1.45 C ATOM 1920 O THR A 140 -4.689 -5.670 12.905 1.00 60.24 O ATOM 1921 CB THR A 140 -6.520 -3.473 13.224 1.00 53.33 C ATOM 1922 OG1 THR A 140 -7.677 -2.658 12.966 1.00 15.35 O ATOM 1923 CG2 THR A 140 -5.615 -2.759 14.226 1.00 33.40 C ATOM 0 H THR A 140 -7.400 -4.954 11.279 1.00 2.05 H new ATOM 0 HA THR A 140 -5.404 -2.820 11.493 1.00 3.21 H new ATOM 0 HB THR A 140 -6.825 -4.428 13.651 1.00 53.33 H new ATOM 0 HG1 THR A 140 -8.146 -2.480 13.808 1.00 15.35 H new ATOM 0 HG21 THR A 140 -6.169 -2.570 15.146 1.00 33.40 H new ATOM 0 HG22 THR A 140 -4.750 -3.385 14.445 1.00 33.40 H new ATOM 0 HG23 THR A 140 -5.280 -1.812 13.803 1.00 33.40 H new ATOM 1931 N ILE A 141 -3.440 -4.388 11.547 1.00 73.12 N ATOM 1932 CA ILE A 141 -2.245 -5.241 11.634 1.00 40.11 C ATOM 1933 C ILE A 141 -1.294 -4.791 12.760 1.00 72.22 C ATOM 1934 O ILE A 141 -1.064 -3.598 12.944 1.00 50.14 O ATOM 1935 CB ILE A 141 -1.475 -5.235 10.288 1.00 51.45 C ATOM 1936 CG1 ILE A 141 -2.398 -5.689 9.141 1.00 34.41 C ATOM 1937 CG2 ILE A 141 -0.234 -6.125 10.363 1.00 62.23 C ATOM 1938 CD1 ILE A 141 -1.727 -5.714 7.779 1.00 42.43 C ATOM 0 H ILE A 141 -3.315 -3.553 10.974 1.00 73.12 H new ATOM 0 HA ILE A 141 -2.592 -6.249 11.860 1.00 40.11 H new ATOM 0 HB ILE A 141 -1.146 -4.215 10.088 1.00 51.45 H new ATOM 0 HG12 ILE A 141 -2.776 -6.686 9.366 1.00 34.41 H new ATOM 0 HG13 ILE A 141 -3.260 -5.023 9.097 1.00 34.41 H new ATOM 0 HG21 ILE A 141 0.288 -6.103 9.406 1.00 62.23 H new ATOM 0 HG22 ILE A 141 0.429 -5.759 11.147 1.00 62.23 H new ATOM 0 HG23 ILE A 141 -0.533 -7.148 10.590 1.00 62.23 H new ATOM 0 HD11 ILE A 141 -2.443 -6.044 7.027 1.00 42.43 H new ATOM 0 HD12 ILE A 141 -1.373 -4.714 7.529 1.00 42.43 H new ATOM 0 HD13 ILE A 141 -0.882 -6.402 7.802 1.00 42.43 H new ATOM 1950 N SER A 142 -0.747 -5.751 13.508 1.00 34.13 N ATOM 1951 CA SER A 142 0.220 -5.452 14.580 1.00 64.33 C ATOM 1952 C SER A 142 1.488 -4.777 14.033 1.00 72.40 C ATOM 1953 O SER A 142 1.886 -5.008 12.889 1.00 14.13 O ATOM 1954 CB SER A 142 0.619 -6.736 15.327 1.00 14.45 C ATOM 1955 OG SER A 142 -0.507 -7.367 15.923 1.00 21.40 O ATOM 0 H SER A 142 -0.953 -6.744 13.396 1.00 34.13 H new ATOM 0 HA SER A 142 -0.273 -4.764 15.267 1.00 64.33 H new ATOM 0 HB2 SER A 142 1.099 -7.427 14.634 1.00 14.45 H new ATOM 0 HB3 SER A 142 1.352 -6.497 16.097 1.00 14.45 H new ATOM 0 HG SER A 142 -0.218 -8.180 16.388 1.00 21.40 H new ATOM 1961 N ALA A 143 2.130 -3.961 14.869 1.00 72.44 N ATOM 1962 CA ALA A 143 3.344 -3.233 14.478 1.00 34.42 C ATOM 1963 C ALA A 143 4.461 -4.177 14.001 1.00 13.01 C ATOM 1964 O ALA A 143 5.082 -3.941 12.964 1.00 53.25 O ATOM 1965 CB ALA A 143 3.838 -2.375 15.639 1.00 64.34 C ATOM 0 H ALA A 143 1.830 -3.785 15.828 1.00 72.44 H new ATOM 0 HA ALA A 143 3.082 -2.591 13.637 1.00 34.42 H new ATOM 0 HB1 ALA A 143 4.739 -1.840 15.338 1.00 64.34 H new ATOM 0 HB2 ALA A 143 3.065 -1.658 15.916 1.00 64.34 H new ATOM 0 HB3 ALA A 143 4.064 -3.014 16.493 1.00 64.34 H new ATOM 1971 N GLY A 144 4.707 -5.244 14.762 1.00 4.44 N ATOM 1972 CA GLY A 144 5.739 -6.217 14.401 1.00 51.53 C ATOM 1973 C GLY A 144 5.541 -6.826 13.014 1.00 4.14 C ATOM 1974 O GLY A 144 6.503 -7.074 12.287 1.00 33.12 O ATOM 0 H GLY A 144 4.209 -5.456 15.627 1.00 4.44 H new ATOM 0 HA2 GLY A 144 6.715 -5.732 14.441 1.00 51.53 H new ATOM 0 HA3 GLY A 144 5.750 -7.016 15.142 1.00 51.53 H new ATOM 1978 N GLU A 145 4.286 -7.063 12.650 1.00 70.15 N ATOM 1979 CA GLU A 145 3.942 -7.612 11.336 1.00 12.43 C ATOM 1980 C GLU A 145 4.079 -6.543 10.234 1.00 11.41 C ATOM 1981 O GLU A 145 4.801 -6.726 9.251 1.00 43.02 O ATOM 1982 CB GLU A 145 2.501 -8.148 11.368 1.00 33.42 C ATOM 1983 CG GLU A 145 2.041 -8.811 10.071 1.00 4.11 C ATOM 1984 CD GLU A 145 2.675 -10.173 9.846 1.00 55.42 C ATOM 1985 OE1 GLU A 145 2.193 -11.158 10.442 1.00 71.15 O ATOM 1986 OE2 GLU A 145 3.646 -10.267 9.068 1.00 5.44 O ATOM 0 H GLU A 145 3.481 -6.883 13.250 1.00 70.15 H new ATOM 0 HA GLU A 145 4.633 -8.423 11.107 1.00 12.43 H new ATOM 0 HB2 GLU A 145 2.413 -8.869 12.180 1.00 33.42 H new ATOM 0 HB3 GLU A 145 1.826 -7.324 11.599 1.00 33.42 H new ATOM 0 HG2 GLU A 145 0.957 -8.919 10.089 1.00 4.11 H new ATOM 0 HG3 GLU A 145 2.283 -8.160 9.231 1.00 4.11 H new ATOM 1993 N ALA A 146 3.396 -5.414 10.428 1.00 3.45 N ATOM 1994 CA ALA A 146 3.355 -4.331 9.436 1.00 45.45 C ATOM 1995 C ALA A 146 4.745 -3.734 9.147 1.00 52.22 C ATOM 1996 O ALA A 146 5.080 -3.454 7.994 1.00 54.24 O ATOM 1997 CB ALA A 146 2.398 -3.244 9.911 1.00 24.40 C ATOM 0 H ALA A 146 2.857 -5.222 11.272 1.00 3.45 H new ATOM 0 HA ALA A 146 3.000 -4.758 8.498 1.00 45.45 H new ATOM 0 HB1 ALA A 146 2.367 -2.440 9.176 1.00 24.40 H new ATOM 0 HB2 ALA A 146 1.400 -3.665 10.031 1.00 24.40 H new ATOM 0 HB3 ALA A 146 2.742 -2.849 10.867 1.00 24.40 H new ATOM 2003 N SER A 147 5.556 -3.562 10.191 1.00 43.21 N ATOM 2004 CA SER A 147 6.893 -2.950 10.053 1.00 32.34 C ATOM 2005 C SER A 147 7.817 -3.776 9.142 1.00 25.12 C ATOM 2006 O SER A 147 8.853 -3.289 8.687 1.00 10.40 O ATOM 2007 CB SER A 147 7.556 -2.787 11.427 1.00 4.41 C ATOM 2008 OG SER A 147 7.726 -4.043 12.068 1.00 41.31 O ATOM 0 H SER A 147 5.318 -3.835 11.144 1.00 43.21 H new ATOM 0 HA SER A 147 6.745 -1.972 9.594 1.00 32.34 H new ATOM 0 HB2 SER A 147 8.525 -2.301 11.311 1.00 4.41 H new ATOM 0 HB3 SER A 147 6.946 -2.136 12.053 1.00 4.41 H new ATOM 0 HG SER A 147 6.896 -4.291 12.527 1.00 41.31 H new ATOM 2014 N SER A 148 7.443 -5.031 8.890 1.00 55.31 N ATOM 2015 CA SER A 148 8.216 -5.915 8.002 1.00 32.44 C ATOM 2016 C SER A 148 7.980 -5.567 6.524 1.00 51.41 C ATOM 2017 O SER A 148 8.762 -5.945 5.652 1.00 11.23 O ATOM 2018 CB SER A 148 7.837 -7.387 8.252 1.00 45.01 C ATOM 2019 OG SER A 148 8.594 -8.276 7.439 1.00 73.32 O ATOM 0 H SER A 148 6.609 -5.463 9.287 1.00 55.31 H new ATOM 0 HA SER A 148 9.272 -5.768 8.226 1.00 32.44 H new ATOM 0 HB2 SER A 148 7.998 -7.630 9.302 1.00 45.01 H new ATOM 0 HB3 SER A 148 6.775 -7.527 8.052 1.00 45.01 H new ATOM 0 HG SER A 148 8.892 -7.807 6.631 1.00 73.32 H new ATOM 2025 N TYR A 149 6.901 -4.835 6.254 1.00 41.22 N ATOM 2026 CA TYR A 149 6.499 -4.512 4.880 1.00 33.23 C ATOM 2027 C TYR A 149 7.075 -3.161 4.417 1.00 52.31 C ATOM 2028 O TYR A 149 7.354 -2.274 5.227 1.00 43.03 O ATOM 2029 CB TYR A 149 4.969 -4.503 4.781 1.00 15.51 C ATOM 2030 CG TYR A 149 4.319 -5.782 5.292 1.00 23.03 C ATOM 2031 CD1 TYR A 149 4.851 -7.029 4.979 1.00 61.24 C ATOM 2032 CD2 TYR A 149 3.176 -5.741 6.086 1.00 41.41 C ATOM 2033 CE1 TYR A 149 4.263 -8.194 5.440 1.00 71.12 C ATOM 2034 CE2 TYR A 149 2.583 -6.901 6.548 1.00 51.43 C ATOM 2035 CZ TYR A 149 3.130 -8.124 6.224 1.00 52.15 C ATOM 2036 OH TYR A 149 2.533 -9.281 6.681 1.00 44.22 O ATOM 0 H TYR A 149 6.285 -4.451 6.970 1.00 41.22 H new ATOM 0 HA TYR A 149 6.904 -5.279 4.220 1.00 33.23 H new ATOM 0 HB2 TYR A 149 4.581 -3.656 5.348 1.00 15.51 H new ATOM 0 HB3 TYR A 149 4.681 -4.349 3.741 1.00 15.51 H new ATOM 0 HD1 TYR A 149 5.738 -7.089 4.366 1.00 61.24 H new ATOM 0 HD2 TYR A 149 2.745 -4.785 6.346 1.00 41.41 H new ATOM 0 HE1 TYR A 149 4.689 -9.154 5.187 1.00 71.12 H new ATOM 0 HE2 TYR A 149 1.695 -6.849 7.160 1.00 51.43 H new ATOM 0 HH TYR A 149 3.055 -9.646 7.425 1.00 44.22 H new ATOM 2046 N ASN A 150 7.264 -3.019 3.105 1.00 42.04 N ATOM 2047 CA ASN A 150 7.767 -1.769 2.518 1.00 24.22 C ATOM 2048 C ASN A 150 6.609 -0.825 2.154 1.00 20.12 C ATOM 2049 O ASN A 150 5.638 -1.240 1.522 1.00 72.33 O ATOM 2050 CB ASN A 150 8.599 -2.074 1.268 1.00 51.32 C ATOM 2051 CG ASN A 150 9.822 -2.923 1.573 1.00 4.42 C ATOM 2052 OD1 ASN A 150 10.419 -2.820 2.641 1.00 44.42 O ATOM 2053 ND2 ASN A 150 10.196 -3.780 0.648 1.00 11.42 N ATOM 0 H ASN A 150 7.077 -3.755 2.424 1.00 42.04 H new ATOM 0 HA ASN A 150 8.394 -1.274 3.260 1.00 24.22 H new ATOM 0 HB2 ASN A 150 7.976 -2.590 0.538 1.00 51.32 H new ATOM 0 HB3 ASN A 150 8.917 -1.137 0.810 1.00 51.32 H new ATOM 0 HD21 ASN A 150 11.003 -4.383 0.808 1.00 11.42 H new ATOM 0 HD22 ASN A 150 9.679 -3.842 -0.229 1.00 11.42 H new ATOM 2060 N TYR A 151 6.718 0.447 2.545 1.00 2.31 N ATOM 2061 CA TYR A 151 5.642 1.425 2.315 1.00 35.24 C ATOM 2062 C TYR A 151 5.981 2.435 1.203 1.00 73.20 C ATOM 2063 O TYR A 151 7.037 3.072 1.204 1.00 60.52 O ATOM 2064 CB TYR A 151 5.329 2.174 3.615 1.00 71.32 C ATOM 2065 CG TYR A 151 4.732 1.299 4.701 1.00 30.40 C ATOM 2066 CD1 TYR A 151 5.542 0.587 5.581 1.00 74.13 C ATOM 2067 CD2 TYR A 151 3.356 1.193 4.848 1.00 21.22 C ATOM 2068 CE1 TYR A 151 4.995 -0.204 6.576 1.00 4.40 C ATOM 2069 CE2 TYR A 151 2.803 0.408 5.843 1.00 44.22 C ATOM 2070 CZ TYR A 151 3.626 -0.291 6.701 1.00 53.01 C ATOM 2071 OH TYR A 151 3.075 -1.071 7.690 1.00 34.33 O ATOM 0 H TYR A 151 7.536 0.827 3.021 1.00 2.31 H new ATOM 0 HA TYR A 151 4.768 0.863 1.985 1.00 35.24 H new ATOM 0 HB2 TYR A 151 6.246 2.628 3.991 1.00 71.32 H new ATOM 0 HB3 TYR A 151 4.637 2.987 3.396 1.00 71.32 H new ATOM 0 HD1 TYR A 151 6.616 0.653 5.486 1.00 74.13 H new ATOM 0 HD2 TYR A 151 2.707 1.732 4.174 1.00 21.22 H new ATOM 0 HE1 TYR A 151 5.638 -0.750 7.251 1.00 4.40 H new ATOM 0 HE2 TYR A 151 1.730 0.342 5.948 1.00 44.22 H new ATOM 0 HH TYR A 151 2.125 -1.216 7.501 1.00 34.33 H new ATOM 2081 N ILE A 152 5.047 2.587 0.270 1.00 21.44 N ATOM 2082 CA ILE A 152 5.167 3.530 -0.846 1.00 62.05 C ATOM 2083 C ILE A 152 4.522 4.882 -0.491 1.00 20.40 C ATOM 2084 O ILE A 152 3.303 4.979 -0.349 1.00 44.20 O ATOM 2085 CB ILE A 152 4.473 2.949 -2.101 1.00 3.54 C ATOM 2086 CG1 ILE A 152 4.985 1.522 -2.379 1.00 4.34 C ATOM 2087 CG2 ILE A 152 4.694 3.854 -3.318 1.00 4.22 C ATOM 2088 CD1 ILE A 152 3.981 0.650 -3.098 1.00 52.02 C ATOM 0 H ILE A 152 4.176 2.056 0.263 1.00 21.44 H new ATOM 0 HA ILE A 152 6.227 3.687 -1.048 1.00 62.05 H new ATOM 0 HB ILE A 152 3.401 2.902 -1.912 1.00 3.54 H new ATOM 0 HG12 ILE A 152 5.896 1.581 -2.975 1.00 4.34 H new ATOM 0 HG13 ILE A 152 5.253 1.050 -1.434 1.00 4.34 H new ATOM 0 HG21 ILE A 152 4.196 3.423 -4.187 1.00 4.22 H new ATOM 0 HG22 ILE A 152 4.281 4.842 -3.116 1.00 4.22 H new ATOM 0 HG23 ILE A 152 5.762 3.941 -3.518 1.00 4.22 H new ATOM 0 HD11 ILE A 152 4.409 -0.339 -3.260 1.00 52.02 H new ATOM 0 HD12 ILE A 152 3.078 0.560 -2.494 1.00 52.02 H new ATOM 0 HD13 ILE A 152 3.731 1.099 -4.059 1.00 52.02 H new ATOM 2100 N HIS A 153 5.342 5.922 -0.353 1.00 14.54 N ATOM 2101 CA HIS A 153 4.858 7.247 0.060 1.00 1.32 C ATOM 2102 C HIS A 153 4.840 8.231 -1.115 1.00 14.33 C ATOM 2103 O HIS A 153 5.742 8.230 -1.958 1.00 4.43 O ATOM 2104 CB HIS A 153 5.728 7.807 1.193 1.00 53.51 C ATOM 2105 CG HIS A 153 5.695 6.975 2.438 1.00 71.13 C ATOM 2106 ND1 HIS A 153 4.828 7.217 3.484 1.00 50.21 N ATOM 2107 CD2 HIS A 153 6.422 5.891 2.798 1.00 42.34 C ATOM 2108 CE1 HIS A 153 5.024 6.324 4.431 1.00 65.32 C ATOM 2109 NE2 HIS A 153 5.983 5.505 4.043 1.00 53.23 N ATOM 0 H HIS A 153 6.347 5.877 -0.520 1.00 14.54 H new ATOM 0 HA HIS A 153 3.836 7.125 0.417 1.00 1.32 H new ATOM 0 HB2 HIS A 153 6.758 7.885 0.845 1.00 53.51 H new ATOM 0 HB3 HIS A 153 5.394 8.817 1.431 1.00 53.51 H new ATOM 0 HD2 HIS A 153 7.200 5.418 2.217 1.00 42.34 H new ATOM 0 HE1 HIS A 153 4.490 6.271 5.368 1.00 65.32 H new ATOM 0 HE2 HIS A 153 6.341 4.714 4.579 1.00 53.23 H new ATOM 2118 N LEU A 154 3.809 9.069 -1.160 1.00 2.15 N ATOM 2119 CA LEU A 154 3.665 10.071 -2.222 1.00 3.54 C ATOM 2120 C LEU A 154 4.198 11.442 -1.769 1.00 34.34 C ATOM 2121 O LEU A 154 4.844 12.153 -2.539 1.00 21.14 O ATOM 2122 CB LEU A 154 2.189 10.193 -2.630 1.00 14.45 C ATOM 2123 CG LEU A 154 1.479 8.864 -2.945 1.00 12.43 C ATOM 2124 CD1 LEU A 154 0.048 9.110 -3.423 1.00 30.21 C ATOM 2125 CD2 LEU A 154 2.270 8.048 -3.969 1.00 54.10 C ATOM 0 H LEU A 154 3.056 9.077 -0.472 1.00 2.15 H new ATOM 0 HA LEU A 154 4.253 9.744 -3.079 1.00 3.54 H new ATOM 0 HB2 LEU A 154 1.648 10.693 -1.827 1.00 14.45 H new ATOM 0 HB3 LEU A 154 2.124 10.837 -3.507 1.00 14.45 H new ATOM 0 HG LEU A 154 1.429 8.283 -2.024 1.00 12.43 H new ATOM 0 HD11 LEU A 154 -0.433 8.156 -3.639 1.00 30.21 H new ATOM 0 HD12 LEU A 154 -0.511 9.630 -2.645 1.00 30.21 H new ATOM 0 HD13 LEU A 154 0.066 9.720 -4.326 1.00 30.21 H new ATOM 0 HD21 LEU A 154 1.746 7.114 -4.173 1.00 54.10 H new ATOM 0 HD22 LEU A 154 2.367 8.619 -4.892 1.00 54.10 H new ATOM 0 HD23 LEU A 154 3.261 7.828 -3.572 1.00 54.10 H new