USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 117 ASN :FLIP amide:sc= 0.611 F(o=0.62,f=1.3) USER MOD Set 1.2: A 121 SER OG : rot 68:sc= 0.679 USER MOD Set 2.1: A 92 ASN : amide:sc= 1.05 K(o=1.3,f=-0.0052) USER MOD Set 2.2: A 101 GLN : amide:sc= -0.566 K(o=1.3,f=-3.8) USER MOD Set 2.3: A 150 ASN : amide:sc= 0.834 K(o=1.3,f=-1.1) USER MOD Set 3.1: A 93 SER OG : rot 15:sc= 0.691 USER MOD Set 3.2: A 98 SER OG : rot -163:sc= 0.721 USER MOD Set 3.3: A 153 HIS : no HE2:sc= -1.63! C(o=-0.22!,f=-6.8!) USER MOD Set 4.1: A 62 TYR OH : rot 126:sc= 0.718 USER MOD Set 4.2: A 71 SER OG : rot 8:sc= 1.83 USER MOD Set 5.1: A 64 LYS NZ :NH3+ -132:sc= 0.00423 (180deg=-1!) USER MOD Set 5.2: A 125 SER OG : rot 88:sc= 0.487 USER MOD Set 6.1: A 57 CYS SG : rot -147:sc= 0.661 USER MOD Set 6.2: A 60 TYR OH : rot 180:sc= -0.134 USER MOD Set 6.3: A 109 HIS : +bothHN:sc= 0.563 K(o=1.1,f=-6.4!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0373 X(o=-0.037,f=-0.051) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.655 K(o=0.66,f=0) USER MOD Single : A 72 THR OG1 : rot -49:sc= 1.04 USER MOD Single : A 75 ASN : amide:sc= -0.355 K(o=-0.35,f=-4!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 78 ASN : amide:sc= -0.561 K(o=-0.56,f=-2.3!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 72:sc= 0.322 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -167:sc= 0.399 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.051) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.42 USER MOD Single : A 115 ASN : amide:sc= 0.165 X(o=0.16,f=-0.15) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 127 MET CE :methyl -135:sc= -0.0696 (180deg=-0.57) USER MOD Single : A 140 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 SER OG : rot 78:sc= 0.467 USER MOD Single : A 148 SER OG : rot -38:sc= 0.194 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 TYR OH : rot -140:sc= -1.22 USER MOD ----------------------------------------------------------------- ATOM 723 N THR A 53 -7.922 -4.158 -13.707 1.00 43.02 N ATOM 724 CA THR A 53 -9.069 -5.079 -13.776 1.00 25.53 C ATOM 725 C THR A 53 -9.753 -5.248 -12.408 1.00 11.25 C ATOM 726 O THR A 53 -9.091 -5.362 -11.374 1.00 52.41 O ATOM 727 CB THR A 53 -8.665 -6.475 -14.302 1.00 22.03 C ATOM 728 OG1 THR A 53 -9.819 -7.328 -14.357 1.00 61.31 O ATOM 729 CG2 THR A 53 -7.604 -7.116 -13.415 1.00 75.14 C ATOM 0 HA THR A 53 -9.769 -4.623 -14.476 1.00 25.53 H new ATOM 0 HB THR A 53 -8.248 -6.349 -15.301 1.00 22.03 H new ATOM 0 HG1 THR A 53 -9.558 -8.211 -14.693 1.00 61.31 H new ATOM 0 HG21 THR A 53 -7.342 -8.097 -13.812 1.00 75.14 H new ATOM 0 HG22 THR A 53 -6.716 -6.484 -13.394 1.00 75.14 H new ATOM 0 HG23 THR A 53 -7.994 -7.227 -12.403 1.00 75.14 H new ATOM 737 N ALA A 54 -11.081 -5.291 -12.418 1.00 41.12 N ATOM 738 CA ALA A 54 -11.871 -5.363 -11.185 1.00 11.21 C ATOM 739 C ALA A 54 -11.892 -6.786 -10.604 1.00 54.40 C ATOM 740 O ALA A 54 -12.504 -7.696 -11.170 1.00 35.41 O ATOM 741 CB ALA A 54 -13.290 -4.866 -11.448 1.00 13.11 C ATOM 0 H ALA A 54 -11.640 -5.277 -13.271 1.00 41.12 H new ATOM 0 HA ALA A 54 -11.399 -4.719 -10.443 1.00 11.21 H new ATOM 0 HB1 ALA A 54 -13.872 -4.922 -10.528 1.00 13.11 H new ATOM 0 HB2 ALA A 54 -13.255 -3.833 -11.793 1.00 13.11 H new ATOM 0 HB3 ALA A 54 -13.758 -5.488 -12.211 1.00 13.11 H new ATOM 747 N GLY A 55 -11.220 -6.978 -9.472 1.00 61.44 N ATOM 748 CA GLY A 55 -11.195 -8.288 -8.827 1.00 52.23 C ATOM 749 C GLY A 55 -9.873 -8.593 -8.134 1.00 43.24 C ATOM 750 O GLY A 55 -9.834 -9.356 -7.168 1.00 73.42 O ATOM 0 H GLY A 55 -10.691 -6.253 -8.987 1.00 61.44 H new ATOM 0 HA2 GLY A 55 -12.001 -8.341 -8.096 1.00 52.23 H new ATOM 0 HA3 GLY A 55 -11.392 -9.057 -9.574 1.00 52.23 H new ATOM 754 N GLN A 56 -8.784 -8.012 -8.632 1.00 0.43 N ATOM 755 CA GLN A 56 -7.458 -8.220 -8.039 1.00 74.11 C ATOM 756 C GLN A 56 -7.250 -7.293 -6.832 1.00 42.12 C ATOM 757 O GLN A 56 -7.801 -6.193 -6.786 1.00 22.34 O ATOM 758 CB GLN A 56 -6.363 -7.988 -9.093 1.00 44.53 C ATOM 759 CG GLN A 56 -6.561 -8.794 -10.375 1.00 10.34 C ATOM 760 CD GLN A 56 -6.684 -10.288 -10.116 1.00 24.11 C ATOM 761 OE1 GLN A 56 -7.774 -10.803 -9.880 1.00 40.13 O ATOM 762 NE2 GLN A 56 -5.574 -10.998 -10.164 1.00 40.33 N ATOM 0 H GLN A 56 -8.790 -7.394 -9.443 1.00 0.43 H new ATOM 0 HA GLN A 56 -7.394 -9.250 -7.690 1.00 74.11 H new ATOM 0 HB2 GLN A 56 -6.331 -6.928 -9.343 1.00 44.53 H new ATOM 0 HB3 GLN A 56 -5.395 -8.243 -8.660 1.00 44.53 H new ATOM 0 HG2 GLN A 56 -7.458 -8.443 -10.885 1.00 10.34 H new ATOM 0 HG3 GLN A 56 -5.721 -8.614 -11.046 1.00 10.34 H new ATOM 0 HE21 GLN A 56 -4.684 -10.541 -10.362 1.00 40.33 H new ATOM 0 HE22 GLN A 56 -5.605 -12.005 -10.003 1.00 40.33 H new ATOM 771 N CYS A 57 -6.452 -7.733 -5.859 1.00 72.31 N ATOM 772 CA CYS A 57 -6.239 -6.953 -4.628 1.00 45.45 C ATOM 773 C CYS A 57 -5.664 -5.558 -4.928 1.00 63.13 C ATOM 774 O CYS A 57 -5.988 -4.578 -4.257 1.00 52.53 O ATOM 775 CB CYS A 57 -5.323 -7.707 -3.654 1.00 2.33 C ATOM 776 SG CYS A 57 -3.667 -8.054 -4.289 1.00 62.01 S ATOM 0 H CYS A 57 -5.944 -8.617 -5.893 1.00 72.31 H new ATOM 0 HA CYS A 57 -7.214 -6.818 -4.160 1.00 45.45 H new ATOM 0 HB2 CYS A 57 -5.231 -7.124 -2.738 1.00 2.33 H new ATOM 0 HB3 CYS A 57 -5.799 -8.650 -3.385 1.00 2.33 H new ATOM 0 HG CYS A 57 -3.243 -9.182 -3.802 1.00 62.01 H new ATOM 782 N THR A 58 -4.830 -5.475 -5.958 1.00 34.14 N ATOM 783 CA THR A 58 -4.239 -4.201 -6.393 1.00 62.44 C ATOM 784 C THR A 58 -5.300 -3.210 -6.907 1.00 34.52 C ATOM 785 O THR A 58 -5.104 -1.995 -6.847 1.00 74.30 O ATOM 786 CB THR A 58 -3.192 -4.431 -7.510 1.00 22.33 C ATOM 787 OG1 THR A 58 -3.789 -5.145 -8.602 1.00 53.22 O ATOM 788 CG2 THR A 58 -1.992 -5.215 -6.988 1.00 42.53 C ATOM 0 H THR A 58 -4.542 -6.279 -6.516 1.00 34.14 H new ATOM 0 HA THR A 58 -3.759 -3.771 -5.514 1.00 62.44 H new ATOM 0 HB THR A 58 -2.846 -3.455 -7.852 1.00 22.33 H new ATOM 0 HG1 THR A 58 -3.121 -5.285 -9.305 1.00 53.22 H new ATOM 0 HG21 THR A 58 -1.274 -5.361 -7.795 1.00 42.53 H new ATOM 0 HG22 THR A 58 -1.519 -4.660 -6.178 1.00 42.53 H new ATOM 0 HG23 THR A 58 -2.324 -6.185 -6.618 1.00 42.53 H new ATOM 796 N TRP A 59 -6.428 -3.734 -7.390 1.00 5.13 N ATOM 797 CA TRP A 59 -7.486 -2.908 -7.990 1.00 73.34 C ATOM 798 C TRP A 59 -8.075 -1.889 -6.995 1.00 13.23 C ATOM 799 O TRP A 59 -8.022 -0.678 -7.226 1.00 21.10 O ATOM 800 CB TRP A 59 -8.603 -3.805 -8.541 1.00 2.15 C ATOM 801 CG TRP A 59 -9.765 -3.037 -9.099 1.00 73.34 C ATOM 802 CD1 TRP A 59 -9.811 -2.362 -10.285 1.00 24.41 C ATOM 803 CD2 TRP A 59 -11.052 -2.866 -8.491 1.00 30.43 C ATOM 804 NE1 TRP A 59 -11.042 -1.778 -10.447 1.00 60.31 N ATOM 805 CE2 TRP A 59 -11.821 -2.075 -9.361 1.00 60.32 C ATOM 806 CE3 TRP A 59 -11.625 -3.308 -7.295 1.00 71.03 C ATOM 807 CZ2 TRP A 59 -13.135 -1.711 -9.072 1.00 62.14 C ATOM 808 CZ3 TRP A 59 -12.930 -2.949 -7.009 1.00 20.32 C ATOM 809 CH2 TRP A 59 -13.671 -2.157 -7.893 1.00 71.21 C ATOM 0 H TRP A 59 -6.636 -4.732 -7.379 1.00 5.13 H new ATOM 0 HA TRP A 59 -7.030 -2.341 -8.802 1.00 73.34 H new ATOM 0 HB2 TRP A 59 -8.192 -4.446 -9.321 1.00 2.15 H new ATOM 0 HB3 TRP A 59 -8.958 -4.460 -7.745 1.00 2.15 H new ATOM 0 HD1 TRP A 59 -8.997 -2.297 -10.992 1.00 24.41 H new ATOM 0 HE1 TRP A 59 -11.330 -1.214 -11.247 1.00 60.31 H new ATOM 0 HE3 TRP A 59 -11.059 -3.919 -6.607 1.00 71.03 H new ATOM 0 HZ2 TRP A 59 -13.709 -1.100 -9.752 1.00 62.14 H new ATOM 0 HZ3 TRP A 59 -13.384 -3.285 -6.089 1.00 20.32 H new ATOM 0 HH2 TRP A 59 -14.687 -1.892 -7.640 1.00 71.21 H new ATOM 820 N TYR A 60 -8.649 -2.376 -5.894 1.00 12.23 N ATOM 821 CA TYR A 60 -9.277 -1.484 -4.911 1.00 52.44 C ATOM 822 C TYR A 60 -8.253 -0.551 -4.248 1.00 2.22 C ATOM 823 O TYR A 60 -8.585 0.570 -3.871 1.00 63.13 O ATOM 824 CB TYR A 60 -10.060 -2.275 -3.848 1.00 23.12 C ATOM 825 CG TYR A 60 -9.271 -3.364 -3.139 1.00 64.21 C ATOM 826 CD1 TYR A 60 -8.377 -3.060 -2.115 1.00 15.33 C ATOM 827 CD2 TYR A 60 -9.442 -4.700 -3.480 1.00 64.43 C ATOM 828 CE1 TYR A 60 -7.677 -4.055 -1.458 1.00 52.53 C ATOM 829 CE2 TYR A 60 -8.748 -5.697 -2.827 1.00 23.43 C ATOM 830 CZ TYR A 60 -7.867 -5.372 -1.819 1.00 0.42 C ATOM 831 OH TYR A 60 -7.171 -6.371 -1.175 1.00 13.35 O ATOM 0 H TYR A 60 -8.694 -3.368 -5.660 1.00 12.23 H new ATOM 0 HA TYR A 60 -9.985 -0.862 -5.459 1.00 52.44 H new ATOM 0 HB2 TYR A 60 -10.435 -1.575 -3.101 1.00 23.12 H new ATOM 0 HB3 TYR A 60 -10.929 -2.730 -4.324 1.00 23.12 H new ATOM 0 HD1 TYR A 60 -8.228 -2.029 -1.829 1.00 15.33 H new ATOM 0 HD2 TYR A 60 -10.130 -4.962 -4.270 1.00 64.43 H new ATOM 0 HE1 TYR A 60 -6.986 -3.802 -0.667 1.00 52.53 H new ATOM 0 HE2 TYR A 60 -8.895 -6.730 -3.105 1.00 23.43 H new ATOM 0 HH TYR A 60 -7.423 -7.240 -1.551 1.00 13.35 H new ATOM 841 N VAL A 61 -7.008 -1.015 -4.115 1.00 11.41 N ATOM 842 CA VAL A 61 -5.926 -0.174 -3.586 1.00 1.10 C ATOM 843 C VAL A 61 -5.681 1.032 -4.505 1.00 61.24 C ATOM 844 O VAL A 61 -5.529 2.166 -4.042 1.00 61.41 O ATOM 845 CB VAL A 61 -4.604 -0.971 -3.432 1.00 11.01 C ATOM 846 CG1 VAL A 61 -3.502 -0.094 -2.842 1.00 14.11 C ATOM 847 CG2 VAL A 61 -4.816 -2.216 -2.575 1.00 11.22 C ATOM 0 H VAL A 61 -6.723 -1.962 -4.364 1.00 11.41 H new ATOM 0 HA VAL A 61 -6.241 0.171 -2.601 1.00 1.10 H new ATOM 0 HB VAL A 61 -4.289 -1.290 -4.425 1.00 11.01 H new ATOM 0 HG11 VAL A 61 -2.586 -0.677 -2.744 1.00 14.11 H new ATOM 0 HG12 VAL A 61 -3.323 0.756 -3.500 1.00 14.11 H new ATOM 0 HG13 VAL A 61 -3.810 0.265 -1.860 1.00 14.11 H new ATOM 0 HG21 VAL A 61 -3.875 -2.758 -2.482 1.00 11.22 H new ATOM 0 HG22 VAL A 61 -5.165 -1.921 -1.585 1.00 11.22 H new ATOM 0 HG23 VAL A 61 -5.560 -2.859 -3.045 1.00 11.22 H new ATOM 857 N TYR A 62 -5.665 0.777 -5.814 1.00 41.21 N ATOM 858 CA TYR A 62 -5.483 1.830 -6.819 1.00 23.12 C ATOM 859 C TYR A 62 -6.582 2.904 -6.697 1.00 43.30 C ATOM 860 O TYR A 62 -6.331 4.098 -6.882 1.00 4.51 O ATOM 861 CB TYR A 62 -5.497 1.210 -8.226 1.00 31.43 C ATOM 862 CG TYR A 62 -4.931 2.105 -9.320 1.00 42.24 C ATOM 863 CD1 TYR A 62 -5.692 3.121 -9.891 1.00 30.43 C ATOM 864 CD2 TYR A 62 -3.631 1.924 -9.785 1.00 51.22 C ATOM 865 CE1 TYR A 62 -5.176 3.926 -10.890 1.00 54.32 C ATOM 866 CE2 TYR A 62 -3.111 2.725 -10.781 1.00 34.53 C ATOM 867 CZ TYR A 62 -3.886 3.724 -11.330 1.00 63.23 C ATOM 868 OH TYR A 62 -3.368 4.520 -12.327 1.00 40.53 O ATOM 0 H TYR A 62 -5.777 -0.157 -6.207 1.00 41.21 H new ATOM 0 HA TYR A 62 -4.521 2.313 -6.647 1.00 23.12 H new ATOM 0 HB2 TYR A 62 -4.928 0.281 -8.205 1.00 31.43 H new ATOM 0 HB3 TYR A 62 -6.524 0.949 -8.483 1.00 31.43 H new ATOM 0 HD1 TYR A 62 -6.703 3.283 -9.548 1.00 30.43 H new ATOM 0 HD2 TYR A 62 -3.019 1.143 -9.359 1.00 51.22 H new ATOM 0 HE1 TYR A 62 -5.781 4.709 -11.323 1.00 54.32 H new ATOM 0 HE2 TYR A 62 -2.100 2.570 -11.129 1.00 34.53 H new ATOM 0 HH TYR A 62 -2.524 4.915 -12.025 1.00 40.53 H new ATOM 878 N ASP A 63 -7.801 2.471 -6.374 1.00 33.12 N ATOM 879 CA ASP A 63 -8.930 3.393 -6.201 1.00 12.33 C ATOM 880 C ASP A 63 -8.846 4.128 -4.845 1.00 41.25 C ATOM 881 O ASP A 63 -9.073 5.337 -4.767 1.00 63.22 O ATOM 882 CB ASP A 63 -10.252 2.624 -6.317 1.00 42.33 C ATOM 883 CG ASP A 63 -11.459 3.548 -6.359 1.00 14.04 C ATOM 884 OD1 ASP A 63 -11.722 4.136 -7.431 1.00 64.53 O ATOM 885 OD2 ASP A 63 -12.150 3.689 -5.329 1.00 64.43 O ATOM 0 H ASP A 63 -8.034 1.489 -6.226 1.00 33.12 H new ATOM 0 HA ASP A 63 -8.886 4.145 -6.989 1.00 12.33 H new ATOM 0 HB2 ASP A 63 -10.235 2.012 -7.219 1.00 42.33 H new ATOM 0 HB3 ASP A 63 -10.348 1.943 -5.471 1.00 42.33 H new ATOM 890 N LYS A 64 -8.514 3.387 -3.787 1.00 2.34 N ATOM 891 CA LYS A 64 -8.348 3.962 -2.439 1.00 53.23 C ATOM 892 C LYS A 64 -7.258 5.050 -2.411 1.00 22.44 C ATOM 893 O LYS A 64 -7.358 6.034 -1.675 1.00 63.00 O ATOM 894 CB LYS A 64 -7.993 2.853 -1.434 1.00 65.23 C ATOM 895 CG LYS A 64 -9.133 1.877 -1.138 1.00 71.21 C ATOM 896 CD LYS A 64 -10.191 2.477 -0.213 1.00 1.24 C ATOM 897 CE LYS A 64 -9.627 2.766 1.175 1.00 2.21 C ATOM 898 NZ LYS A 64 -10.668 3.263 2.114 1.00 22.12 N ATOM 0 H LYS A 64 -8.353 2.381 -3.832 1.00 2.34 H new ATOM 0 HA LYS A 64 -9.295 4.426 -2.161 1.00 53.23 H new ATOM 0 HB2 LYS A 64 -7.141 2.291 -1.818 1.00 65.23 H new ATOM 0 HB3 LYS A 64 -7.675 3.315 -0.499 1.00 65.23 H new ATOM 0 HG2 LYS A 64 -9.602 1.576 -2.075 1.00 71.21 H new ATOM 0 HG3 LYS A 64 -8.726 0.975 -0.682 1.00 71.21 H new ATOM 0 HD2 LYS A 64 -10.575 3.399 -0.649 1.00 1.24 H new ATOM 0 HD3 LYS A 64 -11.033 1.790 -0.128 1.00 1.24 H new ATOM 0 HE2 LYS A 64 -9.179 1.858 1.579 1.00 2.21 H new ATOM 0 HE3 LYS A 64 -8.830 3.506 1.094 1.00 2.21 H new ATOM 0 HZ1 LYS A 64 -10.316 4.108 2.607 1.00 22.12 H new ATOM 0 HZ2 LYS A 64 -11.528 3.505 1.582 1.00 22.12 H new ATOM 0 HZ3 LYS A 64 -10.889 2.523 2.811 1.00 22.12 H new ATOM 912 N VAL A 65 -6.218 4.861 -3.221 1.00 64.10 N ATOM 913 CA VAL A 65 -5.099 5.808 -3.291 1.00 22.00 C ATOM 914 C VAL A 65 -5.391 6.972 -4.268 1.00 70.22 C ATOM 915 O VAL A 65 -4.509 7.773 -4.594 1.00 1.11 O ATOM 916 CB VAL A 65 -3.797 5.072 -3.705 1.00 22.41 C ATOM 917 CG1 VAL A 65 -3.807 4.710 -5.188 1.00 23.34 C ATOM 918 CG2 VAL A 65 -2.563 5.892 -3.345 1.00 43.14 C ATOM 0 H VAL A 65 -6.124 4.057 -3.842 1.00 64.10 H new ATOM 0 HA VAL A 65 -4.968 6.237 -2.298 1.00 22.00 H new ATOM 0 HB VAL A 65 -3.753 4.140 -3.141 1.00 22.41 H new ATOM 0 HG11 VAL A 65 -2.880 4.196 -5.443 1.00 23.34 H new ATOM 0 HG12 VAL A 65 -4.654 4.057 -5.397 1.00 23.34 H new ATOM 0 HG13 VAL A 65 -3.894 5.619 -5.784 1.00 23.34 H new ATOM 0 HG21 VAL A 65 -1.666 5.351 -3.647 1.00 43.14 H new ATOM 0 HG22 VAL A 65 -2.600 6.851 -3.862 1.00 43.14 H new ATOM 0 HG23 VAL A 65 -2.540 6.061 -2.268 1.00 43.14 H new ATOM 928 N GLY A 66 -6.636 7.055 -4.732 1.00 22.41 N ATOM 929 CA GLY A 66 -7.043 8.133 -5.632 1.00 34.33 C ATOM 930 C GLY A 66 -6.419 8.037 -7.018 1.00 1.04 C ATOM 931 O GLY A 66 -6.449 8.998 -7.782 1.00 5.11 O ATOM 0 H GLY A 66 -7.377 6.393 -4.502 1.00 22.41 H new ATOM 0 HA2 GLY A 66 -8.129 8.123 -5.730 1.00 34.33 H new ATOM 0 HA3 GLY A 66 -6.772 9.090 -5.186 1.00 34.33 H new ATOM 935 N GLY A 67 -5.851 6.875 -7.337 1.00 22.50 N ATOM 936 CA GLY A 67 -5.237 6.669 -8.642 1.00 60.30 C ATOM 937 C GLY A 67 -3.975 7.497 -8.876 1.00 73.24 C ATOM 938 O GLY A 67 -3.541 7.656 -10.012 1.00 64.32 O ATOM 0 H GLY A 67 -5.805 6.069 -6.713 1.00 22.50 H new ATOM 0 HA2 GLY A 67 -4.991 5.613 -8.753 1.00 60.30 H new ATOM 0 HA3 GLY A 67 -5.965 6.910 -9.416 1.00 60.30 H new ATOM 942 N ASN A 68 -3.367 8.010 -7.803 1.00 14.03 N ATOM 943 CA ASN A 68 -2.162 8.851 -7.925 1.00 34.24 C ATOM 944 C ASN A 68 -0.883 8.017 -8.128 1.00 3.20 C ATOM 945 O ASN A 68 0.234 8.539 -8.057 1.00 61.41 O ATOM 946 CB ASN A 68 -2.016 9.760 -6.700 1.00 4.51 C ATOM 947 CG ASN A 68 -3.154 10.758 -6.596 1.00 51.15 C ATOM 948 OD1 ASN A 68 -3.129 11.810 -7.224 1.00 1.53 O ATOM 949 ND2 ASN A 68 -4.150 10.450 -5.791 1.00 64.22 N ATOM 0 H ASN A 68 -3.683 7.862 -6.844 1.00 14.03 H new ATOM 0 HA ASN A 68 -2.291 9.466 -8.815 1.00 34.24 H new ATOM 0 HB2 ASN A 68 -1.985 9.150 -5.797 1.00 4.51 H new ATOM 0 HB3 ASN A 68 -1.068 10.295 -6.756 1.00 4.51 H new ATOM 0 HD21 ASN A 68 -4.931 11.096 -5.676 1.00 64.22 H new ATOM 0 HD22 ASN A 68 -4.140 9.566 -5.283 1.00 64.22 H new ATOM 956 N ILE A 69 -1.056 6.725 -8.395 1.00 74.32 N ATOM 957 CA ILE A 69 0.064 5.824 -8.695 1.00 4.43 C ATOM 958 C ILE A 69 -0.055 5.266 -10.124 1.00 14.44 C ATOM 959 O ILE A 69 -1.154 5.146 -10.662 1.00 35.24 O ATOM 960 CB ILE A 69 0.137 4.646 -7.687 1.00 32.34 C ATOM 961 CG1 ILE A 69 -1.155 3.813 -7.729 1.00 72.03 C ATOM 962 CG2 ILE A 69 0.393 5.168 -6.273 1.00 3.35 C ATOM 963 CD1 ILE A 69 -1.141 2.607 -6.808 1.00 21.13 C ATOM 0 H ILE A 69 -1.969 6.271 -8.411 1.00 74.32 H new ATOM 0 HA ILE A 69 0.979 6.410 -8.609 1.00 4.43 H new ATOM 0 HB ILE A 69 0.968 4.001 -7.973 1.00 32.34 H new ATOM 0 HG12 ILE A 69 -1.996 4.452 -7.461 1.00 72.03 H new ATOM 0 HG13 ILE A 69 -1.324 3.475 -8.751 1.00 72.03 H new ATOM 0 HG21 ILE A 69 0.441 4.329 -5.579 1.00 3.35 H new ATOM 0 HG22 ILE A 69 1.337 5.712 -6.251 1.00 3.35 H new ATOM 0 HG23 ILE A 69 -0.417 5.836 -5.979 1.00 3.35 H new ATOM 0 HD11 ILE A 69 -2.087 2.072 -6.895 1.00 21.13 H new ATOM 0 HD12 ILE A 69 -0.322 1.945 -7.088 1.00 21.13 H new ATOM 0 HD13 ILE A 69 -1.004 2.937 -5.778 1.00 21.13 H new ATOM 975 N GLY A 70 1.075 4.917 -10.728 1.00 45.15 N ATOM 976 CA GLY A 70 1.070 4.449 -12.112 1.00 15.41 C ATOM 977 C GLY A 70 0.593 3.005 -12.278 1.00 61.42 C ATOM 978 O GLY A 70 1.121 2.090 -11.647 1.00 41.30 O ATOM 0 H GLY A 70 1.996 4.948 -10.290 1.00 45.15 H new ATOM 0 HA2 GLY A 70 0.429 5.103 -12.704 1.00 15.41 H new ATOM 0 HA3 GLY A 70 2.078 4.537 -12.518 1.00 15.41 H new ATOM 982 N SER A 71 -0.397 2.796 -13.148 1.00 32.15 N ATOM 983 CA SER A 71 -0.885 1.439 -13.471 1.00 60.11 C ATOM 984 C SER A 71 0.221 0.584 -14.116 1.00 44.30 C ATOM 985 O SER A 71 0.154 -0.647 -14.123 1.00 53.34 O ATOM 986 CB SER A 71 -2.097 1.509 -14.420 1.00 14.42 C ATOM 987 OG SER A 71 -3.224 2.101 -13.792 1.00 30.44 O ATOM 0 H SER A 71 -0.881 3.544 -13.645 1.00 32.15 H new ATOM 0 HA SER A 71 -1.186 0.970 -12.534 1.00 60.11 H new ATOM 0 HB2 SER A 71 -1.831 2.084 -15.307 1.00 14.42 H new ATOM 0 HB3 SER A 71 -2.354 0.505 -14.756 1.00 14.42 H new ATOM 0 HG SER A 71 -2.959 2.466 -12.922 1.00 30.44 H new ATOM 993 N THR A 72 1.247 1.256 -14.638 1.00 64.34 N ATOM 994 CA THR A 72 2.382 0.601 -15.315 1.00 42.30 C ATOM 995 C THR A 72 3.300 -0.188 -14.350 1.00 54.34 C ATOM 996 O THR A 72 4.368 -0.656 -14.749 1.00 12.22 O ATOM 997 CB THR A 72 3.236 1.650 -16.074 1.00 13.03 C ATOM 998 OG1 THR A 72 4.359 1.026 -16.717 1.00 73.43 O ATOM 999 CG2 THR A 72 3.733 2.745 -15.131 1.00 41.25 C ATOM 0 H THR A 72 1.321 2.273 -14.607 1.00 64.34 H new ATOM 0 HA THR A 72 1.943 -0.115 -16.010 1.00 42.30 H new ATOM 0 HB THR A 72 2.596 2.103 -16.831 1.00 13.03 H new ATOM 0 HG1 THR A 72 4.825 0.450 -16.075 1.00 73.43 H new ATOM 0 HG21 THR A 72 4.329 3.465 -15.692 1.00 41.25 H new ATOM 0 HG22 THR A 72 2.880 3.252 -14.680 1.00 41.25 H new ATOM 0 HG23 THR A 72 4.346 2.300 -14.347 1.00 41.25 H new ATOM 1007 N TRP A 73 2.892 -0.334 -13.089 1.00 13.44 N ATOM 1008 CA TRP A 73 3.673 -1.102 -12.104 1.00 62.21 C ATOM 1009 C TRP A 73 3.491 -2.623 -12.280 1.00 40.25 C ATOM 1010 O TRP A 73 4.464 -3.383 -12.270 1.00 72.32 O ATOM 1011 CB TRP A 73 3.287 -0.687 -10.674 1.00 65.14 C ATOM 1012 CG TRP A 73 3.676 0.724 -10.323 1.00 3.12 C ATOM 1013 CD1 TRP A 73 4.276 1.642 -11.138 1.00 43.43 C ATOM 1014 CD2 TRP A 73 3.494 1.371 -9.059 1.00 3.21 C ATOM 1015 NE1 TRP A 73 4.479 2.816 -10.457 1.00 61.12 N ATOM 1016 CE2 TRP A 73 4.008 2.676 -9.181 1.00 3.14 C ATOM 1017 CE3 TRP A 73 2.950 0.975 -7.835 1.00 51.34 C ATOM 1018 CZ2 TRP A 73 3.988 3.584 -8.128 1.00 61.53 C ATOM 1019 CZ3 TRP A 73 2.930 1.876 -6.790 1.00 64.11 C ATOM 1020 CH2 TRP A 73 3.447 3.169 -6.941 1.00 0.23 C ATOM 0 H TRP A 73 2.029 0.066 -12.721 1.00 13.44 H new ATOM 0 HA TRP A 73 4.725 -0.874 -12.276 1.00 62.21 H new ATOM 0 HB2 TRP A 73 2.209 -0.797 -10.552 1.00 65.14 H new ATOM 0 HB3 TRP A 73 3.759 -1.370 -9.968 1.00 65.14 H new ATOM 0 HD1 TRP A 73 4.551 1.469 -12.168 1.00 43.43 H new ATOM 0 HE1 TRP A 73 4.911 3.657 -10.840 1.00 61.12 H new ATOM 0 HE3 TRP A 73 2.551 -0.021 -7.708 1.00 51.34 H new ATOM 0 HZ2 TRP A 73 4.385 4.582 -8.243 1.00 61.53 H new ATOM 0 HZ3 TRP A 73 2.509 1.579 -5.841 1.00 64.11 H new ATOM 0 HH2 TRP A 73 3.418 3.852 -6.105 1.00 0.23 H new ATOM 1031 N GLY A 74 2.243 -3.064 -12.443 1.00 60.43 N ATOM 1032 CA GLY A 74 1.966 -4.489 -12.619 1.00 53.20 C ATOM 1033 C GLY A 74 1.336 -5.140 -11.390 1.00 32.51 C ATOM 1034 O GLY A 74 0.348 -4.637 -10.848 1.00 12.23 O ATOM 0 H GLY A 74 1.418 -2.464 -12.457 1.00 60.43 H new ATOM 0 HA2 GLY A 74 1.300 -4.620 -13.472 1.00 53.20 H new ATOM 0 HA3 GLY A 74 2.896 -5.005 -12.858 1.00 53.20 H new ATOM 1038 N ASN A 75 1.897 -6.268 -10.952 1.00 52.44 N ATOM 1039 CA ASN A 75 1.377 -6.986 -9.781 1.00 55.43 C ATOM 1040 C ASN A 75 1.954 -6.434 -8.468 1.00 32.42 C ATOM 1041 O ASN A 75 2.986 -5.758 -8.459 1.00 53.41 O ATOM 1042 CB ASN A 75 1.657 -8.494 -9.889 1.00 14.12 C ATOM 1043 CG ASN A 75 3.133 -8.831 -10.031 1.00 51.21 C ATOM 1044 OD1 ASN A 75 4.006 -8.119 -9.545 1.00 35.13 O ATOM 1045 ND2 ASN A 75 3.424 -9.934 -10.689 1.00 22.32 N ATOM 0 H ASN A 75 2.709 -6.705 -11.387 1.00 52.44 H new ATOM 0 HA ASN A 75 0.298 -6.829 -9.765 1.00 55.43 H new ATOM 0 HB2 ASN A 75 1.263 -8.992 -9.003 1.00 14.12 H new ATOM 0 HB3 ASN A 75 1.117 -8.895 -10.747 1.00 14.12 H new ATOM 0 HD21 ASN A 75 4.397 -10.217 -10.806 1.00 22.32 H new ATOM 0 HD22 ASN A 75 2.676 -10.506 -11.082 1.00 22.32 H new ATOM 1052 N ALA A 76 1.291 -6.760 -7.360 1.00 32.41 N ATOM 1053 CA ALA A 76 1.685 -6.265 -6.035 1.00 73.24 C ATOM 1054 C ALA A 76 3.125 -6.658 -5.677 1.00 42.34 C ATOM 1055 O ALA A 76 3.796 -5.966 -4.910 1.00 4.15 O ATOM 1056 CB ALA A 76 0.720 -6.791 -4.981 1.00 61.21 C ATOM 0 H ALA A 76 0.473 -7.369 -7.350 1.00 32.41 H new ATOM 0 HA ALA A 76 1.643 -5.176 -6.062 1.00 73.24 H new ATOM 0 HB1 ALA A 76 1.016 -6.421 -3.999 1.00 61.21 H new ATOM 0 HB2 ALA A 76 -0.289 -6.448 -5.208 1.00 61.21 H new ATOM 0 HB3 ALA A 76 0.741 -7.881 -4.980 1.00 61.21 H new ATOM 1062 N ASN A 77 3.590 -7.772 -6.235 1.00 30.32 N ATOM 1063 CA ASN A 77 4.957 -8.254 -6.001 1.00 60.30 C ATOM 1064 C ASN A 77 6.001 -7.251 -6.536 1.00 73.22 C ATOM 1065 O ASN A 77 7.060 -7.061 -5.940 1.00 12.13 O ATOM 1066 CB ASN A 77 5.143 -9.621 -6.675 1.00 54.11 C ATOM 1067 CG ASN A 77 6.282 -10.437 -6.090 1.00 74.24 C ATOM 1068 OD1 ASN A 77 7.256 -9.902 -5.572 1.00 5.32 O ATOM 1069 ND2 ASN A 77 6.171 -11.746 -6.183 1.00 21.31 N ATOM 0 H ASN A 77 3.040 -8.364 -6.857 1.00 30.32 H new ATOM 0 HA ASN A 77 5.109 -8.354 -4.926 1.00 60.30 H new ATOM 0 HB2 ASN A 77 4.217 -10.189 -6.587 1.00 54.11 H new ATOM 0 HB3 ASN A 77 5.324 -9.470 -7.739 1.00 54.11 H new ATOM 0 HD21 ASN A 77 6.909 -12.348 -5.818 1.00 21.31 H new ATOM 0 HD22 ASN A 77 5.347 -12.158 -6.620 1.00 21.31 H new ATOM 1076 N ASN A 78 5.684 -6.592 -7.652 1.00 75.45 N ATOM 1077 CA ASN A 78 6.619 -5.655 -8.287 1.00 74.23 C ATOM 1078 C ASN A 78 6.394 -4.197 -7.833 1.00 53.44 C ATOM 1079 O ASN A 78 7.301 -3.373 -7.932 1.00 20.33 O ATOM 1080 CB ASN A 78 6.489 -5.739 -9.814 1.00 60.22 C ATOM 1081 CG ASN A 78 7.574 -4.952 -10.529 1.00 12.31 C ATOM 1082 OD1 ASN A 78 8.705 -4.871 -10.065 1.00 1.33 O ATOM 1083 ND2 ASN A 78 7.239 -4.351 -11.652 1.00 1.42 N ATOM 0 H ASN A 78 4.791 -6.688 -8.135 1.00 75.45 H new ATOM 0 HA ASN A 78 7.623 -5.946 -7.977 1.00 74.23 H new ATOM 0 HB2 ASN A 78 6.537 -6.783 -10.124 1.00 60.22 H new ATOM 0 HB3 ASN A 78 5.512 -5.362 -10.115 1.00 60.22 H new ATOM 0 HD21 ASN A 78 7.930 -3.799 -12.161 1.00 1.42 H new ATOM 0 HD22 ASN A 78 6.289 -4.437 -12.013 1.00 1.42 H new ATOM 1090 N TRP A 79 5.193 -3.895 -7.323 1.00 34.22 N ATOM 1091 CA TRP A 79 4.776 -2.508 -7.001 1.00 23.51 C ATOM 1092 C TRP A 79 5.891 -1.631 -6.387 1.00 45.31 C ATOM 1093 O TRP A 79 6.184 -0.557 -6.909 1.00 73.22 O ATOM 1094 CB TRP A 79 3.539 -2.516 -6.082 1.00 73.41 C ATOM 1095 CG TRP A 79 2.238 -2.489 -6.835 1.00 13.34 C ATOM 1096 CD1 TRP A 79 1.981 -3.045 -8.056 1.00 53.11 C ATOM 1097 CD2 TRP A 79 1.018 -1.861 -6.421 1.00 73.51 C ATOM 1098 NE1 TRP A 79 0.681 -2.805 -8.422 1.00 51.45 N ATOM 1099 CE2 TRP A 79 0.071 -2.077 -7.437 1.00 54.44 C ATOM 1100 CE3 TRP A 79 0.637 -1.134 -5.289 1.00 15.23 C ATOM 1101 CZ2 TRP A 79 -1.233 -1.597 -7.356 1.00 32.42 C ATOM 1102 CZ3 TRP A 79 -0.658 -0.658 -5.209 1.00 61.24 C ATOM 1103 CH2 TRP A 79 -1.578 -0.890 -6.237 1.00 31.24 C ATOM 0 H TRP A 79 4.480 -4.596 -7.120 1.00 34.22 H new ATOM 0 HA TRP A 79 4.530 -2.049 -7.958 1.00 23.51 H new ATOM 0 HB2 TRP A 79 3.568 -3.406 -5.453 1.00 73.41 H new ATOM 0 HB3 TRP A 79 3.584 -1.654 -5.417 1.00 73.41 H new ATOM 0 HD1 TRP A 79 2.698 -3.594 -8.648 1.00 53.11 H new ATOM 0 HE1 TRP A 79 0.241 -3.118 -9.287 1.00 51.45 H new ATOM 0 HE3 TRP A 79 1.342 -0.948 -4.492 1.00 15.23 H new ATOM 0 HZ2 TRP A 79 -1.946 -1.776 -8.147 1.00 32.42 H new ATOM 0 HZ3 TRP A 79 -0.965 -0.098 -4.338 1.00 61.24 H new ATOM 0 HH2 TRP A 79 -2.582 -0.503 -6.145 1.00 31.24 H new ATOM 1114 N ALA A 80 6.506 -2.073 -5.288 1.00 51.03 N ATOM 1115 CA ALA A 80 7.566 -1.281 -4.630 1.00 10.22 C ATOM 1116 C ALA A 80 8.789 -1.073 -5.542 1.00 51.11 C ATOM 1117 O ALA A 80 9.401 -0.002 -5.548 1.00 62.32 O ATOM 1118 CB ALA A 80 7.994 -1.935 -3.321 1.00 11.23 C ATOM 0 H ALA A 80 6.297 -2.962 -4.834 1.00 51.03 H new ATOM 0 HA ALA A 80 7.143 -0.299 -4.418 1.00 10.22 H new ATOM 0 HB1 ALA A 80 8.775 -1.336 -2.853 1.00 11.23 H new ATOM 0 HB2 ALA A 80 7.137 -2.002 -2.650 1.00 11.23 H new ATOM 0 HB3 ALA A 80 8.376 -2.936 -3.522 1.00 11.23 H new ATOM 1124 N SER A 81 9.134 -2.097 -6.318 1.00 34.23 N ATOM 1125 CA SER A 81 10.264 -2.012 -7.256 1.00 54.22 C ATOM 1126 C SER A 81 9.948 -1.051 -8.409 1.00 45.24 C ATOM 1127 O SER A 81 10.747 -0.174 -8.746 1.00 1.04 O ATOM 1128 CB SER A 81 10.604 -3.400 -7.814 1.00 72.22 C ATOM 1129 OG SER A 81 11.679 -3.342 -8.739 1.00 53.11 O ATOM 0 H SER A 81 8.652 -2.996 -6.320 1.00 34.23 H new ATOM 0 HA SER A 81 11.125 -1.628 -6.709 1.00 54.22 H new ATOM 0 HB2 SER A 81 10.865 -4.069 -6.994 1.00 72.22 H new ATOM 0 HB3 SER A 81 9.725 -3.822 -8.302 1.00 72.22 H new ATOM 0 HG SER A 81 11.871 -4.243 -9.074 1.00 53.11 H new ATOM 1135 N ALA A 82 8.766 -1.212 -8.999 1.00 30.32 N ATOM 1136 CA ALA A 82 8.301 -0.324 -10.067 1.00 63.22 C ATOM 1137 C ALA A 82 8.169 1.123 -9.567 1.00 24.13 C ATOM 1138 O ALA A 82 8.512 2.065 -10.275 1.00 45.33 O ATOM 1139 CB ALA A 82 6.974 -0.825 -10.619 1.00 24.24 C ATOM 0 H ALA A 82 8.108 -1.953 -8.755 1.00 30.32 H new ATOM 0 HA ALA A 82 9.041 -0.331 -10.867 1.00 63.22 H new ATOM 0 HB1 ALA A 82 6.635 -0.159 -11.413 1.00 24.24 H new ATOM 0 HB2 ALA A 82 7.103 -1.831 -11.019 1.00 24.24 H new ATOM 0 HB3 ALA A 82 6.232 -0.845 -9.821 1.00 24.24 H new ATOM 1145 N ALA A 83 7.675 1.284 -8.339 1.00 22.22 N ATOM 1146 CA ALA A 83 7.598 2.599 -7.689 1.00 53.41 C ATOM 1147 C ALA A 83 8.969 3.289 -7.683 1.00 15.32 C ATOM 1148 O ALA A 83 9.108 4.432 -8.123 1.00 4.25 O ATOM 1149 CB ALA A 83 7.068 2.446 -6.267 1.00 52.35 C ATOM 0 H ALA A 83 7.319 0.517 -7.769 1.00 22.22 H new ATOM 0 HA ALA A 83 6.911 3.226 -8.256 1.00 53.41 H new ATOM 0 HB1 ALA A 83 7.014 3.425 -5.792 1.00 52.35 H new ATOM 0 HB2 ALA A 83 6.073 2.001 -6.295 1.00 52.35 H new ATOM 0 HB3 ALA A 83 7.738 1.802 -5.696 1.00 52.35 H new ATOM 1155 N SER A 84 9.984 2.577 -7.199 1.00 24.34 N ATOM 1156 CA SER A 84 11.366 3.081 -7.212 1.00 64.32 C ATOM 1157 C SER A 84 11.814 3.405 -8.649 1.00 40.24 C ATOM 1158 O SER A 84 12.381 4.464 -8.916 1.00 62.30 O ATOM 1159 CB SER A 84 12.320 2.045 -6.588 1.00 34.20 C ATOM 1160 OG SER A 84 11.931 1.710 -5.260 1.00 41.40 O ATOM 0 H SER A 84 9.881 1.648 -6.791 1.00 24.34 H new ATOM 0 HA SER A 84 11.399 3.996 -6.621 1.00 64.32 H new ATOM 0 HB2 SER A 84 12.333 1.145 -7.202 1.00 34.20 H new ATOM 0 HB3 SER A 84 13.335 2.441 -6.582 1.00 34.20 H new ATOM 0 HG SER A 84 11.120 1.160 -5.285 1.00 41.40 H new ATOM 1166 N SER A 85 11.520 2.492 -9.574 1.00 63.30 N ATOM 1167 CA SER A 85 11.881 2.660 -10.993 1.00 33.12 C ATOM 1168 C SER A 85 11.106 3.818 -11.652 1.00 5.11 C ATOM 1169 O SER A 85 11.556 4.398 -12.642 1.00 62.53 O ATOM 1170 CB SER A 85 11.607 1.357 -11.761 1.00 64.30 C ATOM 1171 OG SER A 85 11.964 1.469 -13.133 1.00 1.21 O ATOM 0 H SER A 85 11.030 1.621 -9.370 1.00 63.30 H new ATOM 0 HA SER A 85 12.943 2.901 -11.034 1.00 33.12 H new ATOM 0 HB2 SER A 85 12.168 0.541 -11.305 1.00 64.30 H new ATOM 0 HB3 SER A 85 10.550 1.102 -11.680 1.00 64.30 H new ATOM 0 HG SER A 85 11.778 0.622 -13.590 1.00 1.21 H new ATOM 1177 N ALA A 86 9.939 4.150 -11.102 1.00 4.51 N ATOM 1178 CA ALA A 86 9.102 5.233 -11.639 1.00 51.21 C ATOM 1179 C ALA A 86 9.415 6.587 -10.981 1.00 11.35 C ATOM 1180 O ALA A 86 8.984 7.638 -11.467 1.00 64.14 O ATOM 1181 CB ALA A 86 7.628 4.891 -11.458 1.00 2.02 C ATOM 0 H ALA A 86 9.547 3.686 -10.283 1.00 4.51 H new ATOM 0 HA ALA A 86 9.328 5.327 -12.701 1.00 51.21 H new ATOM 0 HB1 ALA A 86 7.015 5.699 -11.859 1.00 2.02 H new ATOM 0 HB2 ALA A 86 7.401 3.966 -11.988 1.00 2.02 H new ATOM 0 HB3 ALA A 86 7.412 4.763 -10.397 1.00 2.02 H new ATOM 1187 N GLY A 87 10.160 6.559 -9.877 1.00 21.24 N ATOM 1188 CA GLY A 87 10.505 7.788 -9.163 1.00 11.22 C ATOM 1189 C GLY A 87 9.562 8.102 -8.004 1.00 62.44 C ATOM 1190 O GLY A 87 9.170 9.252 -7.806 1.00 23.51 O ATOM 0 H GLY A 87 10.534 5.707 -9.460 1.00 21.24 H new ATOM 0 HA2 GLY A 87 11.522 7.704 -8.781 1.00 11.22 H new ATOM 0 HA3 GLY A 87 10.496 8.622 -9.865 1.00 11.22 H new ATOM 1194 N TYR A 88 9.193 7.077 -7.240 1.00 71.24 N ATOM 1195 CA TYR A 88 8.338 7.245 -6.055 1.00 34.24 C ATOM 1196 C TYR A 88 9.137 7.061 -4.751 1.00 41.31 C ATOM 1197 O TYR A 88 10.343 6.813 -4.772 1.00 74.34 O ATOM 1198 CB TYR A 88 7.167 6.247 -6.095 1.00 3.42 C ATOM 1199 CG TYR A 88 5.990 6.684 -6.958 1.00 12.21 C ATOM 1200 CD1 TYR A 88 6.124 6.845 -8.334 1.00 50.40 C ATOM 1201 CD2 TYR A 88 4.743 6.936 -6.390 1.00 41.35 C ATOM 1202 CE1 TYR A 88 5.053 7.245 -9.113 1.00 54.52 C ATOM 1203 CE2 TYR A 88 3.670 7.333 -7.166 1.00 4.24 C ATOM 1204 CZ TYR A 88 3.827 7.485 -8.524 1.00 63.34 C ATOM 1205 OH TYR A 88 2.755 7.882 -9.295 1.00 14.20 O ATOM 0 H TYR A 88 9.472 6.112 -7.418 1.00 71.24 H new ATOM 0 HA TYR A 88 7.947 8.262 -6.072 1.00 34.24 H new ATOM 0 HB2 TYR A 88 7.535 5.290 -6.464 1.00 3.42 H new ATOM 0 HB3 TYR A 88 6.813 6.082 -5.077 1.00 3.42 H new ATOM 0 HD1 TYR A 88 7.079 6.655 -8.801 1.00 50.40 H new ATOM 0 HD2 TYR A 88 4.612 6.819 -5.324 1.00 41.35 H new ATOM 0 HE1 TYR A 88 5.175 7.369 -10.179 1.00 54.52 H new ATOM 0 HE2 TYR A 88 2.711 7.523 -6.707 1.00 4.24 H new ATOM 0 HH TYR A 88 2.036 8.207 -8.713 1.00 14.20 H new ATOM 1215 N THR A 89 8.446 7.165 -3.618 1.00 34.21 N ATOM 1216 CA THR A 89 9.085 7.065 -2.291 1.00 2.32 C ATOM 1217 C THR A 89 8.687 5.765 -1.577 1.00 54.11 C ATOM 1218 O THR A 89 7.551 5.619 -1.129 1.00 73.44 O ATOM 1219 CB THR A 89 8.700 8.271 -1.389 1.00 33.33 C ATOM 1220 OG1 THR A 89 9.109 9.505 -1.998 1.00 33.13 O ATOM 1221 CG2 THR A 89 9.341 8.165 -0.008 1.00 30.22 C ATOM 0 H THR A 89 7.438 7.319 -3.584 1.00 34.21 H new ATOM 0 HA THR A 89 10.162 7.068 -2.459 1.00 2.32 H new ATOM 0 HB THR A 89 7.616 8.255 -1.276 1.00 33.33 H new ATOM 0 HG1 THR A 89 8.858 10.255 -1.419 1.00 33.13 H new ATOM 0 HG21 THR A 89 9.050 9.025 0.595 1.00 30.22 H new ATOM 0 HG22 THR A 89 9.006 7.250 0.479 1.00 30.22 H new ATOM 0 HG23 THR A 89 10.426 8.145 -0.111 1.00 30.22 H new ATOM 1229 N VAL A 90 9.619 4.818 -1.470 1.00 4.14 N ATOM 1230 CA VAL A 90 9.336 3.525 -0.831 1.00 10.33 C ATOM 1231 C VAL A 90 10.189 3.310 0.434 1.00 65.14 C ATOM 1232 O VAL A 90 11.406 3.132 0.358 1.00 34.11 O ATOM 1233 CB VAL A 90 9.579 2.348 -1.810 1.00 53.05 C ATOM 1234 CG1 VAL A 90 9.159 1.019 -1.180 1.00 34.03 C ATOM 1235 CG2 VAL A 90 8.849 2.581 -3.133 1.00 64.14 C ATOM 0 H VAL A 90 10.574 4.917 -1.815 1.00 4.14 H new ATOM 0 HA VAL A 90 8.284 3.547 -0.545 1.00 10.33 H new ATOM 0 HB VAL A 90 10.648 2.298 -2.019 1.00 53.05 H new ATOM 0 HG11 VAL A 90 9.339 0.209 -1.886 1.00 34.03 H new ATOM 0 HG12 VAL A 90 9.740 0.846 -0.274 1.00 34.03 H new ATOM 0 HG13 VAL A 90 8.099 1.054 -0.930 1.00 34.03 H new ATOM 0 HG21 VAL A 90 9.035 1.742 -3.804 1.00 64.14 H new ATOM 0 HG22 VAL A 90 7.778 2.667 -2.948 1.00 64.14 H new ATOM 0 HG23 VAL A 90 9.213 3.500 -3.592 1.00 64.14 H new ATOM 1245 N ASN A 91 9.538 3.325 1.597 1.00 32.20 N ATOM 1246 CA ASN A 91 10.213 3.065 2.877 1.00 34.20 C ATOM 1247 C ASN A 91 9.333 2.189 3.776 1.00 72.32 C ATOM 1248 O ASN A 91 8.114 2.185 3.638 1.00 51.42 O ATOM 1249 CB ASN A 91 10.543 4.375 3.608 1.00 21.52 C ATOM 1250 CG ASN A 91 11.424 5.302 2.789 1.00 13.42 C ATOM 1251 OD1 ASN A 91 12.639 5.145 2.743 1.00 4.20 O ATOM 1252 ND2 ASN A 91 10.826 6.297 2.165 1.00 64.24 N ATOM 0 H ASN A 91 8.540 3.515 1.683 1.00 32.20 H new ATOM 0 HA ASN A 91 11.145 2.543 2.659 1.00 34.20 H new ATOM 0 HB2 ASN A 91 9.615 4.890 3.857 1.00 21.52 H new ATOM 0 HB3 ASN A 91 11.042 4.144 4.549 1.00 21.52 H new ATOM 0 HD21 ASN A 91 11.376 6.964 1.624 1.00 64.24 H new ATOM 0 HD22 ASN A 91 9.813 6.400 2.223 1.00 64.24 H new ATOM 1259 N ASN A 92 9.947 1.466 4.709 1.00 35.33 N ATOM 1260 CA ASN A 92 9.196 0.587 5.624 1.00 62.35 C ATOM 1261 C ASN A 92 8.549 1.374 6.779 1.00 72.44 C ATOM 1262 O ASN A 92 8.088 0.791 7.759 1.00 5.43 O ATOM 1263 CB ASN A 92 10.115 -0.503 6.184 1.00 23.43 C ATOM 1264 CG ASN A 92 10.738 -1.350 5.090 1.00 15.45 C ATOM 1265 OD1 ASN A 92 11.847 -1.086 4.637 1.00 30.41 O ATOM 1266 ND2 ASN A 92 10.030 -2.365 4.646 1.00 74.43 N ATOM 0 H ASN A 92 10.956 1.466 4.857 1.00 35.33 H new ATOM 0 HA ASN A 92 8.394 0.126 5.048 1.00 62.35 H new ATOM 0 HB2 ASN A 92 10.905 -0.040 6.776 1.00 23.43 H new ATOM 0 HB3 ASN A 92 9.546 -1.144 6.857 1.00 23.43 H new ATOM 0 HD21 ASN A 92 10.400 -2.959 3.904 1.00 74.43 H new ATOM 0 HD22 ASN A 92 9.111 -2.558 5.044 1.00 74.43 H new ATOM 1273 N SER A 93 8.505 2.699 6.647 1.00 73.23 N ATOM 1274 CA SER A 93 7.896 3.566 7.661 1.00 31.34 C ATOM 1275 C SER A 93 6.361 3.474 7.630 1.00 62.44 C ATOM 1276 O SER A 93 5.732 3.827 6.629 1.00 51.34 O ATOM 1277 CB SER A 93 8.332 5.023 7.442 1.00 74.01 C ATOM 1278 OG SER A 93 7.976 5.487 6.144 1.00 12.13 O ATOM 0 H SER A 93 8.885 3.200 5.844 1.00 73.23 H new ATOM 0 HA SER A 93 8.238 3.226 8.638 1.00 31.34 H new ATOM 0 HB2 SER A 93 7.869 5.659 8.196 1.00 74.01 H new ATOM 0 HB3 SER A 93 9.411 5.105 7.575 1.00 74.01 H new ATOM 0 HG SER A 93 7.321 4.876 5.747 1.00 12.13 H new ATOM 1284 N PRO A 94 5.731 2.993 8.724 1.00 32.24 N ATOM 1285 CA PRO A 94 4.266 2.888 8.810 1.00 0.12 C ATOM 1286 C PRO A 94 3.589 4.266 8.934 1.00 21.25 C ATOM 1287 O PRO A 94 3.596 4.894 9.995 1.00 53.54 O ATOM 1288 CB PRO A 94 4.042 2.038 10.069 1.00 40.41 C ATOM 1289 CG PRO A 94 5.249 2.286 10.911 1.00 40.21 C ATOM 1290 CD PRO A 94 6.393 2.506 9.953 1.00 24.32 C ATOM 0 HA PRO A 94 3.829 2.449 7.913 1.00 0.12 H new ATOM 0 HB2 PRO A 94 3.130 2.331 10.588 1.00 40.41 H new ATOM 0 HB3 PRO A 94 3.942 0.981 9.821 1.00 40.41 H new ATOM 0 HG2 PRO A 94 5.105 3.156 11.551 1.00 40.21 H new ATOM 0 HG3 PRO A 94 5.448 1.438 11.566 1.00 40.21 H new ATOM 0 HD2 PRO A 94 7.105 3.235 10.340 1.00 24.32 H new ATOM 0 HD3 PRO A 94 6.947 1.585 9.772 1.00 24.32 H new ATOM 1298 N GLU A 95 3.011 4.729 7.830 1.00 71.33 N ATOM 1299 CA GLU A 95 2.398 6.063 7.760 1.00 54.51 C ATOM 1300 C GLU A 95 1.103 6.032 6.925 1.00 11.03 C ATOM 1301 O GLU A 95 0.949 5.193 6.033 1.00 60.40 O ATOM 1302 CB GLU A 95 3.411 7.041 7.145 1.00 62.23 C ATOM 1303 CG GLU A 95 2.929 8.483 7.008 1.00 33.34 C ATOM 1304 CD GLU A 95 3.912 9.344 6.223 1.00 35.20 C ATOM 1305 OE1 GLU A 95 3.833 9.352 4.975 1.00 64.43 O ATOM 1306 OE2 GLU A 95 4.780 9.993 6.846 1.00 21.41 O ATOM 0 H GLU A 95 2.951 4.199 6.961 1.00 71.33 H new ATOM 0 HA GLU A 95 2.133 6.390 8.765 1.00 54.51 H new ATOM 0 HB2 GLU A 95 4.314 7.034 7.756 1.00 62.23 H new ATOM 0 HB3 GLU A 95 3.691 6.674 6.158 1.00 62.23 H new ATOM 0 HG2 GLU A 95 1.959 8.495 6.510 1.00 33.34 H new ATOM 0 HG3 GLU A 95 2.784 8.912 7.999 1.00 33.34 H new ATOM 1313 N ALA A 96 0.175 6.940 7.224 1.00 62.52 N ATOM 1314 CA ALA A 96 -1.109 7.007 6.512 1.00 11.14 C ATOM 1315 C ALA A 96 -0.942 7.529 5.077 1.00 71.32 C ATOM 1316 O ALA A 96 -0.002 8.272 4.775 1.00 3.23 O ATOM 1317 CB ALA A 96 -2.089 7.882 7.282 1.00 33.23 C ATOM 0 H ALA A 96 0.285 7.643 7.955 1.00 62.52 H new ATOM 0 HA ALA A 96 -1.504 5.993 6.447 1.00 11.14 H new ATOM 0 HB1 ALA A 96 -3.037 7.925 6.746 1.00 33.23 H new ATOM 0 HB2 ALA A 96 -2.252 7.460 8.274 1.00 33.23 H new ATOM 0 HB3 ALA A 96 -1.681 8.888 7.378 1.00 33.23 H new ATOM 1323 N GLY A 97 -1.867 7.143 4.198 1.00 51.44 N ATOM 1324 CA GLY A 97 -1.784 7.537 2.795 1.00 45.42 C ATOM 1325 C GLY A 97 -0.663 6.821 2.048 1.00 13.33 C ATOM 1326 O GLY A 97 -0.033 7.388 1.155 1.00 63.02 O ATOM 0 H GLY A 97 -2.674 6.564 4.431 1.00 51.44 H new ATOM 0 HA2 GLY A 97 -2.735 7.325 2.305 1.00 45.42 H new ATOM 0 HA3 GLY A 97 -1.627 8.614 2.733 1.00 45.42 H new ATOM 1330 N SER A 98 -0.411 5.571 2.425 1.00 61.21 N ATOM 1331 CA SER A 98 0.656 4.766 1.814 1.00 43.23 C ATOM 1332 C SER A 98 0.178 3.336 1.538 1.00 54.32 C ATOM 1333 O SER A 98 -0.787 2.868 2.139 1.00 72.30 O ATOM 1334 CB SER A 98 1.886 4.727 2.735 1.00 45.13 C ATOM 1335 OG SER A 98 2.398 6.031 2.977 1.00 54.41 O ATOM 0 H SER A 98 -0.932 5.086 3.155 1.00 61.21 H new ATOM 0 HA SER A 98 0.926 5.232 0.866 1.00 43.23 H new ATOM 0 HB2 SER A 98 1.618 4.259 3.682 1.00 45.13 H new ATOM 0 HB3 SER A 98 2.661 4.109 2.282 1.00 45.13 H new ATOM 0 HG SER A 98 3.313 5.964 3.323 1.00 54.41 H new ATOM 1341 N ILE A 99 0.854 2.649 0.624 1.00 64.53 N ATOM 1342 CA ILE A 99 0.526 1.254 0.293 1.00 24.45 C ATOM 1343 C ILE A 99 1.601 0.306 0.841 1.00 55.44 C ATOM 1344 O ILE A 99 2.783 0.502 0.582 1.00 40.11 O ATOM 1345 CB ILE A 99 0.412 1.034 -1.244 1.00 33.24 C ATOM 1346 CG1 ILE A 99 -0.608 2.002 -1.884 1.00 32.10 C ATOM 1347 CG2 ILE A 99 0.031 -0.416 -1.541 1.00 61.53 C ATOM 1348 CD1 ILE A 99 -0.103 3.422 -2.051 1.00 63.04 C ATOM 0 H ILE A 99 1.637 3.031 0.093 1.00 64.53 H new ATOM 0 HA ILE A 99 -0.439 1.039 0.753 1.00 24.45 H new ATOM 0 HB ILE A 99 1.386 1.245 -1.685 1.00 33.24 H new ATOM 0 HG12 ILE A 99 -0.895 1.614 -2.861 1.00 32.10 H new ATOM 0 HG13 ILE A 99 -1.509 2.019 -1.271 1.00 32.10 H new ATOM 0 HG21 ILE A 99 -0.046 -0.558 -2.619 1.00 61.53 H new ATOM 0 HG22 ILE A 99 0.795 -1.082 -1.141 1.00 61.53 H new ATOM 0 HG23 ILE A 99 -0.928 -0.643 -1.076 1.00 61.53 H new ATOM 0 HD11 ILE A 99 -0.881 4.034 -2.507 1.00 63.04 H new ATOM 0 HD12 ILE A 99 0.156 3.833 -1.075 1.00 63.04 H new ATOM 0 HD13 ILE A 99 0.779 3.421 -2.691 1.00 63.04 H new ATOM 1360 N LEU A 100 1.205 -0.719 1.596 1.00 32.15 N ATOM 1361 CA LEU A 100 2.181 -1.682 2.132 1.00 35.31 C ATOM 1362 C LEU A 100 2.294 -2.922 1.224 1.00 31.34 C ATOM 1363 O LEU A 100 1.289 -3.514 0.830 1.00 42.33 O ATOM 1364 CB LEU A 100 1.834 -2.087 3.584 1.00 1.33 C ATOM 1365 CG LEU A 100 0.737 -3.155 3.776 1.00 13.04 C ATOM 1366 CD1 LEU A 100 0.553 -3.473 5.258 1.00 2.22 C ATOM 1367 CD2 LEU A 100 -0.590 -2.716 3.164 1.00 13.43 C ATOM 0 H LEU A 100 0.235 -0.907 1.850 1.00 32.15 H new ATOM 0 HA LEU A 100 3.153 -1.190 2.149 1.00 35.31 H new ATOM 0 HB2 LEU A 100 2.745 -2.449 4.060 1.00 1.33 H new ATOM 0 HB3 LEU A 100 1.529 -1.189 4.121 1.00 1.33 H new ATOM 0 HG LEU A 100 1.063 -4.056 3.256 1.00 13.04 H new ATOM 0 HD11 LEU A 100 -0.225 -4.228 5.374 1.00 2.22 H new ATOM 0 HD12 LEU A 100 1.490 -3.851 5.668 1.00 2.22 H new ATOM 0 HD13 LEU A 100 0.262 -2.568 5.791 1.00 2.22 H new ATOM 0 HD21 LEU A 100 -1.337 -3.494 3.319 1.00 13.43 H new ATOM 0 HD22 LEU A 100 -0.922 -1.793 3.640 1.00 13.43 H new ATOM 0 HD23 LEU A 100 -0.459 -2.547 2.095 1.00 13.43 H new ATOM 1379 N GLN A 101 3.524 -3.293 0.880 1.00 43.03 N ATOM 1380 CA GLN A 101 3.777 -4.426 -0.017 1.00 1.24 C ATOM 1381 C GLN A 101 4.126 -5.701 0.764 1.00 64.14 C ATOM 1382 O GLN A 101 5.009 -5.690 1.623 1.00 14.03 O ATOM 1383 CB GLN A 101 4.929 -4.093 -0.972 1.00 34.42 C ATOM 1384 CG GLN A 101 5.144 -5.147 -2.054 1.00 41.43 C ATOM 1385 CD GLN A 101 6.481 -5.012 -2.757 1.00 52.52 C ATOM 1386 OE1 GLN A 101 7.473 -4.608 -2.163 1.00 3.53 O ATOM 1387 NE2 GLN A 101 6.517 -5.339 -4.030 1.00 23.33 N ATOM 0 H GLN A 101 4.368 -2.825 1.209 1.00 43.03 H new ATOM 0 HA GLN A 101 2.862 -4.607 -0.581 1.00 1.24 H new ATOM 0 HB2 GLN A 101 4.732 -3.132 -1.446 1.00 34.42 H new ATOM 0 HB3 GLN A 101 5.848 -3.982 -0.396 1.00 34.42 H new ATOM 0 HG2 GLN A 101 5.074 -6.138 -1.606 1.00 41.43 H new ATOM 0 HG3 GLN A 101 4.344 -5.072 -2.790 1.00 41.43 H new ATOM 0 HE21 GLN A 101 5.673 -5.672 -4.495 1.00 23.33 H new ATOM 0 HE22 GLN A 101 7.389 -5.260 -4.552 1.00 23.33 H new ATOM 1396 N SER A 102 3.439 -6.800 0.449 1.00 13.31 N ATOM 1397 CA SER A 102 3.691 -8.095 1.103 1.00 41.13 C ATOM 1398 C SER A 102 4.656 -8.990 0.301 1.00 13.31 C ATOM 1399 O SER A 102 5.520 -9.642 0.882 1.00 14.13 O ATOM 1400 CB SER A 102 2.368 -8.840 1.322 1.00 42.42 C ATOM 1401 OG SER A 102 2.584 -10.136 1.853 1.00 71.31 O ATOM 0 H SER A 102 2.702 -6.824 -0.255 1.00 13.31 H new ATOM 0 HA SER A 102 4.165 -7.877 2.060 1.00 41.13 H new ATOM 0 HB2 SER A 102 1.735 -8.268 2.001 1.00 42.42 H new ATOM 0 HB3 SER A 102 1.832 -8.918 0.376 1.00 42.42 H new ATOM 0 HG SER A 102 1.722 -10.584 1.983 1.00 71.31 H new ATOM 1466 N GLY A 108 2.069 -11.480 -4.881 1.00 24.23 N ATOM 1467 CA GLY A 108 2.135 -10.385 -3.922 1.00 22.02 C ATOM 1468 C GLY A 108 0.766 -9.849 -3.512 1.00 52.14 C ATOM 1469 O GLY A 108 -0.209 -9.972 -4.252 1.00 21.40 O ATOM 0 HA2 GLY A 108 2.665 -10.724 -3.032 1.00 22.02 H new ATOM 0 HA3 GLY A 108 2.721 -9.572 -4.351 1.00 22.02 H new ATOM 1473 N HIS A 109 0.699 -9.246 -2.326 1.00 21.31 N ATOM 1474 CA HIS A 109 -0.531 -8.607 -1.844 1.00 21.33 C ATOM 1475 C HIS A 109 -0.246 -7.194 -1.310 1.00 3.21 C ATOM 1476 O HIS A 109 0.849 -6.920 -0.812 1.00 31.25 O ATOM 1477 CB HIS A 109 -1.185 -9.464 -0.751 1.00 42.43 C ATOM 1478 CG HIS A 109 -2.431 -8.854 -0.183 1.00 31.51 C ATOM 1479 ND1 HIS A 109 -3.448 -8.427 -0.998 1.00 65.52 N ATOM 1480 CD2 HIS A 109 -2.759 -8.596 1.107 1.00 45.42 C ATOM 1481 CE1 HIS A 109 -4.368 -7.921 -0.195 1.00 52.41 C ATOM 1482 NE2 HIS A 109 -3.995 -8.000 1.092 1.00 23.24 N ATOM 0 H HIS A 109 1.484 -9.185 -1.677 1.00 21.31 H new ATOM 0 HA HIS A 109 -1.219 -8.521 -2.685 1.00 21.33 H new ATOM 0 HB2 HIS A 109 -1.424 -10.444 -1.163 1.00 42.43 H new ATOM 0 HB3 HIS A 109 -0.467 -9.623 0.054 1.00 42.43 H new ATOM 0 HD1 HIS A 109 -3.487 -8.487 -2.015 1.00 65.52 H new ATOM 0 HD2 HIS A 109 -2.162 -8.817 1.979 1.00 45.42 H new ATOM 0 HE1 HIS A 109 -5.302 -7.497 -0.532 1.00 52.41 H new ATOM 0 HE2 HIS A 109 -4.527 -7.679 1.901 1.00 23.24 H new ATOM 1490 N VAL A 110 -1.236 -6.304 -1.429 1.00 43.23 N ATOM 1491 CA VAL A 110 -1.111 -4.909 -0.971 1.00 2.13 C ATOM 1492 C VAL A 110 -2.447 -4.365 -0.436 1.00 43.32 C ATOM 1493 O VAL A 110 -3.514 -4.908 -0.719 1.00 65.53 O ATOM 1494 CB VAL A 110 -0.616 -3.964 -2.102 1.00 34.24 C ATOM 1495 CG1 VAL A 110 0.859 -4.202 -2.421 1.00 4.21 C ATOM 1496 CG2 VAL A 110 -1.476 -4.123 -3.355 1.00 61.20 C ATOM 0 H VAL A 110 -2.142 -6.524 -1.842 1.00 43.23 H new ATOM 0 HA VAL A 110 -0.373 -4.926 -0.169 1.00 2.13 H new ATOM 0 HB VAL A 110 -0.716 -2.939 -1.746 1.00 34.24 H new ATOM 0 HG11 VAL A 110 1.173 -3.525 -3.216 1.00 4.21 H new ATOM 0 HG12 VAL A 110 1.458 -4.018 -1.529 1.00 4.21 H new ATOM 0 HG13 VAL A 110 0.999 -5.233 -2.746 1.00 4.21 H new ATOM 0 HG21 VAL A 110 -1.112 -3.453 -4.134 1.00 61.20 H new ATOM 0 HG22 VAL A 110 -1.419 -5.153 -3.707 1.00 61.20 H new ATOM 0 HG23 VAL A 110 -2.511 -3.877 -3.119 1.00 61.20 H new ATOM 1506 N ALA A 111 -2.370 -3.281 0.332 1.00 22.34 N ATOM 1507 CA ALA A 111 -3.559 -2.599 0.858 1.00 65.22 C ATOM 1508 C ALA A 111 -3.245 -1.125 1.172 1.00 73.13 C ATOM 1509 O ALA A 111 -2.078 -0.738 1.277 1.00 54.51 O ATOM 1510 CB ALA A 111 -4.092 -3.319 2.099 1.00 33.05 C ATOM 0 H ALA A 111 -1.488 -2.849 0.609 1.00 22.34 H new ATOM 0 HA ALA A 111 -4.335 -2.625 0.093 1.00 65.22 H new ATOM 0 HB1 ALA A 111 -4.973 -2.797 2.472 1.00 33.05 H new ATOM 0 HB2 ALA A 111 -4.360 -4.343 1.839 1.00 33.05 H new ATOM 0 HB3 ALA A 111 -3.323 -3.331 2.871 1.00 33.05 H new ATOM 1516 N TYR A 112 -4.284 -0.307 1.320 1.00 71.21 N ATOM 1517 CA TYR A 112 -4.110 1.133 1.549 1.00 4.44 C ATOM 1518 C TYR A 112 -4.187 1.476 3.047 1.00 31.40 C ATOM 1519 O TYR A 112 -5.145 1.114 3.726 1.00 53.14 O ATOM 1520 CB TYR A 112 -5.180 1.909 0.771 1.00 11.41 C ATOM 1521 CG TYR A 112 -5.048 3.420 0.857 1.00 41.12 C ATOM 1522 CD1 TYR A 112 -4.149 4.107 0.049 1.00 53.24 C ATOM 1523 CD2 TYR A 112 -5.830 4.156 1.738 1.00 73.34 C ATOM 1524 CE1 TYR A 112 -4.035 5.484 0.119 1.00 42.54 C ATOM 1525 CE2 TYR A 112 -5.721 5.530 1.815 1.00 53.20 C ATOM 1526 CZ TYR A 112 -4.824 6.191 1.004 1.00 13.12 C ATOM 1527 OH TYR A 112 -4.716 7.564 1.078 1.00 34.34 O ATOM 0 H TYR A 112 -5.257 -0.612 1.286 1.00 71.21 H new ATOM 0 HA TYR A 112 -3.120 1.421 1.194 1.00 4.44 H new ATOM 0 HB2 TYR A 112 -5.137 1.612 -0.277 1.00 11.41 H new ATOM 0 HB3 TYR A 112 -6.163 1.621 1.144 1.00 11.41 H new ATOM 0 HD1 TYR A 112 -3.530 3.557 -0.644 1.00 53.24 H new ATOM 0 HD2 TYR A 112 -6.536 3.644 2.375 1.00 73.34 H new ATOM 0 HE1 TYR A 112 -3.332 6.003 -0.516 1.00 42.54 H new ATOM 0 HE2 TYR A 112 -6.336 6.085 2.508 1.00 53.20 H new ATOM 0 HH TYR A 112 -5.342 7.906 1.750 1.00 34.34 H new ATOM 1537 N VAL A 113 -3.179 2.182 3.555 1.00 11.15 N ATOM 1538 CA VAL A 113 -3.133 2.554 4.974 1.00 24.42 C ATOM 1539 C VAL A 113 -4.091 3.713 5.298 1.00 14.11 C ATOM 1540 O VAL A 113 -3.842 4.866 4.928 1.00 0.43 O ATOM 1541 CB VAL A 113 -1.702 2.950 5.413 1.00 33.12 C ATOM 1542 CG1 VAL A 113 -1.674 3.303 6.899 1.00 22.45 C ATOM 1543 CG2 VAL A 113 -0.706 1.833 5.098 1.00 43.54 C ATOM 0 H VAL A 113 -2.382 2.509 3.009 1.00 11.15 H new ATOM 0 HA VAL A 113 -3.449 1.670 5.527 1.00 24.42 H new ATOM 0 HB VAL A 113 -1.404 3.833 4.848 1.00 33.12 H new ATOM 0 HG11 VAL A 113 -0.660 3.579 7.188 1.00 22.45 H new ATOM 0 HG12 VAL A 113 -2.345 4.141 7.087 1.00 22.45 H new ATOM 0 HG13 VAL A 113 -1.997 2.442 7.484 1.00 22.45 H new ATOM 0 HG21 VAL A 113 0.292 2.135 5.416 1.00 43.54 H new ATOM 0 HG22 VAL A 113 -0.997 0.926 5.628 1.00 43.54 H new ATOM 0 HG23 VAL A 113 -0.702 1.641 4.025 1.00 43.54 H new ATOM 1553 N GLU A 114 -5.178 3.395 5.999 1.00 32.22 N ATOM 1554 CA GLU A 114 -6.159 4.399 6.428 1.00 71.35 C ATOM 1555 C GLU A 114 -5.604 5.283 7.553 1.00 24.04 C ATOM 1556 O GLU A 114 -5.746 6.507 7.526 1.00 52.34 O ATOM 1557 CB GLU A 114 -7.438 3.710 6.923 1.00 54.41 C ATOM 1558 CG GLU A 114 -8.134 2.850 5.875 1.00 62.24 C ATOM 1559 CD GLU A 114 -8.820 3.664 4.786 1.00 43.20 C ATOM 1560 OE1 GLU A 114 -10.008 4.012 4.953 1.00 70.23 O ATOM 1561 OE2 GLU A 114 -8.188 3.947 3.752 1.00 12.30 O ATOM 0 H GLU A 114 -5.405 2.443 6.285 1.00 32.22 H new ATOM 0 HA GLU A 114 -6.381 5.028 5.566 1.00 71.35 H new ATOM 0 HB2 GLU A 114 -7.191 3.086 7.782 1.00 54.41 H new ATOM 0 HB3 GLU A 114 -8.135 4.472 7.272 1.00 54.41 H new ATOM 0 HG2 GLU A 114 -7.402 2.186 5.416 1.00 62.24 H new ATOM 0 HG3 GLU A 114 -8.873 2.218 6.367 1.00 62.24 H new ATOM 1568 N ASN A 115 -4.982 4.646 8.545 1.00 73.13 N ATOM 1569 CA ASN A 115 -4.470 5.348 9.730 1.00 43.31 C ATOM 1570 C ASN A 115 -3.463 4.482 10.508 1.00 73.10 C ATOM 1571 O ASN A 115 -3.555 3.254 10.514 1.00 40.32 O ATOM 1572 CB ASN A 115 -5.642 5.751 10.642 1.00 51.34 C ATOM 1573 CG ASN A 115 -5.195 6.345 11.973 1.00 4.11 C ATOM 1574 OD1 ASN A 115 -4.934 7.542 12.086 1.00 4.55 O ATOM 1575 ND2 ASN A 115 -5.118 5.514 12.995 1.00 31.01 N ATOM 0 H ASN A 115 -4.818 3.639 8.554 1.00 73.13 H new ATOM 0 HA ASN A 115 -3.946 6.243 9.395 1.00 43.31 H new ATOM 0 HB2 ASN A 115 -6.266 6.476 10.120 1.00 51.34 H new ATOM 0 HB3 ASN A 115 -6.262 4.875 10.833 1.00 51.34 H new ATOM 0 HD21 ASN A 115 -4.835 5.859 13.912 1.00 31.01 H new ATOM 0 HD22 ASN A 115 -5.341 4.527 12.868 1.00 31.01 H new ATOM 1582 N VAL A 116 -2.502 5.137 11.160 1.00 33.21 N ATOM 1583 CA VAL A 116 -1.510 4.447 11.996 1.00 41.53 C ATOM 1584 C VAL A 116 -1.579 4.954 13.442 1.00 11.32 C ATOM 1585 O VAL A 116 -1.546 6.160 13.690 1.00 51.32 O ATOM 1586 CB VAL A 116 -0.070 4.646 11.456 1.00 52.12 C ATOM 1587 CG1 VAL A 116 0.955 3.911 12.324 1.00 15.10 C ATOM 1588 CG2 VAL A 116 0.026 4.188 10.003 1.00 42.53 C ATOM 0 H VAL A 116 -2.387 6.150 11.127 1.00 33.21 H new ATOM 0 HA VAL A 116 -1.749 3.384 11.967 1.00 41.53 H new ATOM 0 HB VAL A 116 0.160 5.711 11.499 1.00 52.12 H new ATOM 0 HG11 VAL A 116 1.955 4.070 11.920 1.00 15.10 H new ATOM 0 HG12 VAL A 116 0.911 4.295 13.343 1.00 15.10 H new ATOM 0 HG13 VAL A 116 0.730 2.844 12.328 1.00 15.10 H new ATOM 0 HG21 VAL A 116 1.044 4.335 9.642 1.00 42.53 H new ATOM 0 HG22 VAL A 116 -0.233 3.131 9.937 1.00 42.53 H new ATOM 0 HG23 VAL A 116 -0.664 4.770 9.392 1.00 42.53 H new ATOM 1598 N ASN A 117 -1.678 4.028 14.391 1.00 4.23 N ATOM 1599 CA ASN A 117 -1.803 4.378 15.810 1.00 70.40 C ATOM 1600 C ASN A 117 -0.433 4.631 16.462 1.00 21.14 C ATOM 1601 O ASN A 117 0.590 4.104 16.015 1.00 3.41 O ATOM 1602 CB ASN A 117 -2.529 3.257 16.562 1.00 65.40 C ATOM 1603 CG ASN A 117 -3.911 2.988 15.997 1.00 53.15 C ATOM 1604 OD1 ASN A 117 -4.012 2.043 15.086 1.00 70.00 O flip ATOM 1605 ND2 ASN A 117 -4.887 3.613 16.389 1.00 60.44 N flip ATOM 0 H ASN A 117 -1.674 3.025 14.206 1.00 4.23 H new ATOM 0 HA ASN A 117 -2.379 5.302 15.871 1.00 70.40 H new ATOM 0 HB2 ASN A 117 -1.935 2.345 16.513 1.00 65.40 H new ATOM 0 HB3 ASN A 117 -2.615 3.525 17.615 1.00 65.40 H new ATOM 0 HD21 ASN A 117 -4.777 4.340 17.096 1.00 60.44 H new ATOM 0 HD22 ASN A 117 -5.811 3.407 16.009 1.00 60.44 H new ATOM 1612 N SER A 118 -0.422 5.432 17.530 1.00 24.22 N ATOM 1613 CA SER A 118 0.796 5.654 18.329 1.00 21.33 C ATOM 1614 C SER A 118 1.329 4.318 18.858 1.00 42.52 C ATOM 1615 O SER A 118 2.540 4.108 18.973 1.00 23.45 O ATOM 1616 CB SER A 118 0.506 6.600 19.506 1.00 75.02 C ATOM 1617 OG SER A 118 1.696 6.937 20.211 1.00 10.42 O ATOM 0 H SER A 118 -1.241 5.940 17.865 1.00 24.22 H new ATOM 0 HA SER A 118 1.549 6.113 17.688 1.00 21.33 H new ATOM 0 HB2 SER A 118 0.032 7.509 19.135 1.00 75.02 H new ATOM 0 HB3 SER A 118 -0.201 6.127 20.188 1.00 75.02 H new ATOM 0 HG SER A 118 1.478 7.540 20.952 1.00 10.42 H new ATOM 1623 N ASP A 119 0.398 3.417 19.166 1.00 75.14 N ATOM 1624 CA ASP A 119 0.715 2.035 19.540 1.00 31.13 C ATOM 1625 C ASP A 119 1.613 1.354 18.487 1.00 33.00 C ATOM 1626 O ASP A 119 2.446 0.508 18.812 1.00 74.15 O ATOM 1627 CB ASP A 119 -0.599 1.260 19.715 1.00 74.23 C ATOM 1628 CG ASP A 119 -0.391 -0.225 19.954 1.00 53.21 C ATOM 1629 OD1 ASP A 119 -0.188 -0.624 21.119 1.00 2.44 O ATOM 1630 OD2 ASP A 119 -0.445 -1.002 18.977 1.00 45.21 O ATOM 0 H ASP A 119 -0.601 3.623 19.164 1.00 75.14 H new ATOM 0 HA ASP A 119 1.272 2.039 20.477 1.00 31.13 H new ATOM 0 HB2 ASP A 119 -1.153 1.682 20.553 1.00 74.23 H new ATOM 0 HB3 ASP A 119 -1.214 1.395 18.826 1.00 74.23 H new ATOM 1635 N GLY A 120 1.447 1.748 17.227 1.00 23.34 N ATOM 1636 CA GLY A 120 2.219 1.157 16.138 1.00 53.11 C ATOM 1637 C GLY A 120 1.358 0.341 15.184 1.00 30.33 C ATOM 1638 O GLY A 120 1.758 0.070 14.053 1.00 54.51 O ATOM 0 H GLY A 120 0.788 2.470 16.936 1.00 23.34 H new ATOM 0 HA2 GLY A 120 2.720 1.949 15.582 1.00 53.11 H new ATOM 0 HA3 GLY A 120 2.998 0.518 16.555 1.00 53.11 H new ATOM 1642 N SER A 121 0.174 -0.058 15.647 1.00 35.50 N ATOM 1643 CA SER A 121 -0.762 -0.827 14.818 1.00 24.53 C ATOM 1644 C SER A 121 -1.201 -0.037 13.578 1.00 31.02 C ATOM 1645 O SER A 121 -1.699 1.090 13.677 1.00 44.45 O ATOM 1646 CB SER A 121 -1.991 -1.248 15.632 1.00 34.14 C ATOM 1647 OG SER A 121 -2.611 -0.133 16.256 1.00 51.41 O ATOM 0 H SER A 121 -0.162 0.137 16.590 1.00 35.50 H new ATOM 0 HA SER A 121 -0.236 -1.720 14.482 1.00 24.53 H new ATOM 0 HB2 SER A 121 -2.708 -1.745 14.979 1.00 34.14 H new ATOM 0 HB3 SER A 121 -1.695 -1.972 16.391 1.00 34.14 H new ATOM 0 HG SER A 121 -3.011 0.444 15.572 1.00 51.41 H new ATOM 1653 N VAL A 122 -1.019 -0.646 12.413 1.00 74.11 N ATOM 1654 CA VAL A 122 -1.316 0.002 11.129 1.00 71.01 C ATOM 1655 C VAL A 122 -2.632 -0.516 10.533 1.00 41.31 C ATOM 1656 O VAL A 122 -2.766 -1.702 10.225 1.00 12.22 O ATOM 1657 CB VAL A 122 -0.165 -0.229 10.116 1.00 51.03 C ATOM 1658 CG1 VAL A 122 -0.433 0.494 8.796 1.00 52.44 C ATOM 1659 CG2 VAL A 122 1.168 0.211 10.714 1.00 20.13 C ATOM 0 H VAL A 122 -0.664 -1.598 12.325 1.00 74.11 H new ATOM 0 HA VAL A 122 -1.416 1.070 11.322 1.00 71.01 H new ATOM 0 HB VAL A 122 -0.113 -1.297 9.903 1.00 51.03 H new ATOM 0 HG11 VAL A 122 0.392 0.312 8.107 1.00 52.44 H new ATOM 0 HG12 VAL A 122 -1.359 0.121 8.359 1.00 52.44 H new ATOM 0 HG13 VAL A 122 -0.523 1.565 8.979 1.00 52.44 H new ATOM 0 HG21 VAL A 122 1.965 0.042 9.990 1.00 20.13 H new ATOM 0 HG22 VAL A 122 1.123 1.271 10.963 1.00 20.13 H new ATOM 0 HG23 VAL A 122 1.370 -0.365 11.617 1.00 20.13 H new ATOM 1669 N GLU A 123 -3.597 0.381 10.372 1.00 52.12 N ATOM 1670 CA GLU A 123 -4.920 0.022 9.853 1.00 64.11 C ATOM 1671 C GLU A 123 -4.979 0.155 8.320 1.00 35.41 C ATOM 1672 O GLU A 123 -5.071 1.259 7.777 1.00 35.44 O ATOM 1673 CB GLU A 123 -5.986 0.903 10.519 1.00 4.43 C ATOM 1674 CG GLU A 123 -5.950 0.838 12.045 1.00 55.25 C ATOM 1675 CD GLU A 123 -6.977 1.745 12.700 1.00 72.34 C ATOM 1676 OE1 GLU A 123 -8.127 1.299 12.897 1.00 24.34 O ATOM 1677 OE2 GLU A 123 -6.635 2.899 13.040 1.00 43.20 O ATOM 0 H GLU A 123 -3.491 1.371 10.594 1.00 52.12 H new ATOM 0 HA GLU A 123 -5.116 -1.023 10.093 1.00 64.11 H new ATOM 0 HB2 GLU A 123 -5.845 1.936 10.202 1.00 4.43 H new ATOM 0 HB3 GLU A 123 -6.972 0.595 10.171 1.00 4.43 H new ATOM 0 HG2 GLU A 123 -6.124 -0.190 12.364 1.00 55.25 H new ATOM 0 HG3 GLU A 123 -4.954 1.115 12.392 1.00 55.25 H new ATOM 1684 N VAL A 124 -4.905 -0.980 7.627 1.00 31.14 N ATOM 1685 CA VAL A 124 -4.916 -1.001 6.161 1.00 12.44 C ATOM 1686 C VAL A 124 -6.258 -1.508 5.605 1.00 42.23 C ATOM 1687 O VAL A 124 -6.713 -2.605 5.927 1.00 15.34 O ATOM 1688 CB VAL A 124 -3.753 -1.860 5.602 1.00 53.04 C ATOM 1689 CG1 VAL A 124 -2.410 -1.266 6.015 1.00 25.33 C ATOM 1690 CG2 VAL A 124 -3.864 -3.314 6.060 1.00 60.34 C ATOM 0 H VAL A 124 -4.836 -1.902 8.057 1.00 31.14 H new ATOM 0 HA VAL A 124 -4.780 0.029 5.832 1.00 12.44 H new ATOM 0 HB VAL A 124 -3.820 -1.851 4.514 1.00 53.04 H new ATOM 0 HG11 VAL A 124 -1.602 -1.880 5.615 1.00 25.33 H new ATOM 0 HG12 VAL A 124 -2.324 -0.253 5.622 1.00 25.33 H new ATOM 0 HG13 VAL A 124 -2.342 -1.241 7.103 1.00 25.33 H new ATOM 0 HG21 VAL A 124 -3.033 -3.889 5.651 1.00 60.34 H new ATOM 0 HG22 VAL A 124 -3.833 -3.356 7.149 1.00 60.34 H new ATOM 0 HG23 VAL A 124 -4.805 -3.736 5.708 1.00 60.34 H new ATOM 1700 N SER A 125 -6.892 -0.693 4.769 1.00 4.34 N ATOM 1701 CA SER A 125 -8.192 -1.036 4.179 1.00 72.21 C ATOM 1702 C SER A 125 -8.042 -1.970 2.971 1.00 52.12 C ATOM 1703 O SER A 125 -7.357 -1.646 1.997 1.00 61.42 O ATOM 1704 CB SER A 125 -8.930 0.238 3.754 1.00 65.31 C ATOM 1705 OG SER A 125 -10.205 -0.053 3.213 1.00 54.41 O ATOM 0 H SER A 125 -6.529 0.215 4.480 1.00 4.34 H new ATOM 0 HA SER A 125 -8.769 -1.560 4.941 1.00 72.21 H new ATOM 0 HB2 SER A 125 -9.041 0.898 4.614 1.00 65.31 H new ATOM 0 HB3 SER A 125 -8.335 0.774 3.015 1.00 65.31 H new ATOM 0 HG SER A 125 -10.867 -0.086 3.935 1.00 54.41 H new ATOM 1711 N GLU A 126 -8.683 -3.134 3.047 1.00 20.42 N ATOM 1712 CA GLU A 126 -8.696 -4.094 1.939 1.00 62.35 C ATOM 1713 C GLU A 126 -10.118 -4.619 1.675 1.00 63.20 C ATOM 1714 O GLU A 126 -10.873 -4.912 2.606 1.00 31.42 O ATOM 1715 CB GLU A 126 -7.737 -5.268 2.217 1.00 32.42 C ATOM 1716 CG GLU A 126 -7.934 -5.930 3.578 1.00 53.13 C ATOM 1717 CD GLU A 126 -7.131 -7.216 3.739 1.00 21.31 C ATOM 1718 OE1 GLU A 126 -5.903 -7.192 3.513 1.00 61.40 O ATOM 1719 OE2 GLU A 126 -7.727 -8.264 4.074 1.00 62.43 O ATOM 0 H GLU A 126 -9.204 -3.439 3.869 1.00 20.42 H new ATOM 0 HA GLU A 126 -8.354 -3.571 1.046 1.00 62.35 H new ATOM 0 HB2 GLU A 126 -7.866 -6.020 1.438 1.00 32.42 H new ATOM 0 HB3 GLU A 126 -6.711 -4.908 2.146 1.00 32.42 H new ATOM 0 HG2 GLU A 126 -7.647 -5.229 4.361 1.00 53.13 H new ATOM 0 HG3 GLU A 126 -8.992 -6.149 3.719 1.00 53.13 H new ATOM 1726 N MET A 127 -10.487 -4.723 0.400 1.00 12.30 N ATOM 1727 CA MET A 127 -11.821 -5.193 0.015 1.00 72.40 C ATOM 1728 C MET A 127 -11.917 -6.722 0.062 1.00 3.21 C ATOM 1729 O MET A 127 -11.163 -7.425 -0.608 1.00 3.42 O ATOM 1730 CB MET A 127 -12.184 -4.688 -1.387 1.00 44.11 C ATOM 1731 CG MET A 127 -13.508 -5.224 -1.918 1.00 42.24 C ATOM 1732 SD MET A 127 -13.910 -4.586 -3.555 1.00 10.15 S ATOM 1733 CE MET A 127 -14.120 -2.845 -3.202 1.00 22.34 C ATOM 0 H MET A 127 -9.882 -4.488 -0.387 1.00 12.30 H new ATOM 0 HA MET A 127 -12.531 -4.789 0.737 1.00 72.40 H new ATOM 0 HB2 MET A 127 -12.226 -3.599 -1.370 1.00 44.11 H new ATOM 0 HB3 MET A 127 -11.388 -4.965 -2.079 1.00 44.11 H new ATOM 0 HG2 MET A 127 -13.465 -6.312 -1.957 1.00 42.24 H new ATOM 0 HG3 MET A 127 -14.306 -4.961 -1.224 1.00 42.24 H new ATOM 0 HE1 MET A 127 -15.017 -2.478 -3.700 1.00 22.34 H new ATOM 0 HE2 MET A 127 -14.218 -2.701 -2.126 1.00 22.34 H new ATOM 0 HE3 MET A 127 -13.253 -2.293 -3.564 1.00 22.34 H new ATOM 1878 N GLU A 138 -11.111 -2.461 7.247 1.00 64.14 N ATOM 1879 CA GLU A 138 -9.831 -1.878 7.664 1.00 22.41 C ATOM 1880 C GLU A 138 -9.043 -2.843 8.565 1.00 60.43 C ATOM 1881 O GLU A 138 -9.239 -2.889 9.781 1.00 40.02 O ATOM 1882 CB GLU A 138 -10.054 -0.534 8.380 1.00 32.44 C ATOM 1883 CG GLU A 138 -10.565 0.591 7.471 1.00 55.54 C ATOM 1884 CD GLU A 138 -11.917 0.295 6.828 1.00 51.42 C ATOM 1885 OE1 GLU A 138 -12.952 0.439 7.512 1.00 12.14 O ATOM 1886 OE2 GLU A 138 -11.954 -0.075 5.633 1.00 25.12 O ATOM 0 HA GLU A 138 -9.240 -1.700 6.766 1.00 22.41 H new ATOM 0 HB2 GLU A 138 -10.768 -0.682 9.191 1.00 32.44 H new ATOM 0 HB3 GLU A 138 -9.115 -0.219 8.835 1.00 32.44 H new ATOM 0 HG2 GLU A 138 -10.643 1.509 8.053 1.00 55.54 H new ATOM 0 HG3 GLU A 138 -9.831 0.773 6.686 1.00 55.54 H new ATOM 1893 N ARG A 139 -8.159 -3.614 7.942 1.00 54.32 N ATOM 1894 CA ARG A 139 -7.345 -4.617 8.636 1.00 64.41 C ATOM 1895 C ARG A 139 -6.283 -3.967 9.544 1.00 52.01 C ATOM 1896 O ARG A 139 -5.314 -3.377 9.066 1.00 0.24 O ATOM 1897 CB ARG A 139 -6.682 -5.533 7.593 1.00 62.24 C ATOM 1898 CG ARG A 139 -5.626 -6.482 8.150 1.00 64.42 C ATOM 1899 CD ARG A 139 -5.084 -7.407 7.063 1.00 41.05 C ATOM 1900 NE ARG A 139 -3.896 -8.142 7.498 1.00 22.41 N ATOM 1901 CZ ARG A 139 -3.914 -9.313 8.077 1.00 2.51 C ATOM 1902 NH1 ARG A 139 -5.035 -9.901 8.355 1.00 21.45 N ATOM 1903 NH2 ARG A 139 -2.803 -9.895 8.382 1.00 61.30 N ATOM 0 H ARG A 139 -7.983 -3.564 6.939 1.00 54.32 H new ATOM 0 HA ARG A 139 -7.996 -5.205 9.283 1.00 64.41 H new ATOM 0 HB2 ARG A 139 -7.457 -6.123 7.104 1.00 62.24 H new ATOM 0 HB3 ARG A 139 -6.222 -4.911 6.825 1.00 62.24 H new ATOM 0 HG2 ARG A 139 -4.808 -5.906 8.582 1.00 64.42 H new ATOM 0 HG3 ARG A 139 -6.057 -7.077 8.955 1.00 64.42 H new ATOM 0 HD2 ARG A 139 -5.860 -8.115 6.772 1.00 41.05 H new ATOM 0 HD3 ARG A 139 -4.841 -6.819 6.178 1.00 41.05 H new ATOM 0 HE ARG A 139 -2.987 -7.708 7.337 1.00 22.41 H new ATOM 0 HH11 ARG A 139 -5.919 -9.450 8.122 1.00 21.45 H new ATOM 0 HH12 ARG A 139 -5.033 -10.815 8.807 1.00 21.45 H new ATOM 0 HH21 ARG A 139 -1.915 -9.441 8.171 1.00 61.30 H new ATOM 0 HH22 ARG A 139 -2.814 -10.809 8.834 1.00 61.30 H new ATOM 1917 N THR A 140 -6.478 -4.075 10.857 1.00 52.43 N ATOM 1918 CA THR A 140 -5.544 -3.496 11.835 1.00 60.34 C ATOM 1919 C THR A 140 -4.379 -4.453 12.130 1.00 54.21 C ATOM 1920 O THR A 140 -4.508 -5.381 12.932 1.00 13.32 O ATOM 1921 CB THR A 140 -6.259 -3.144 13.165 1.00 10.55 C ATOM 1922 OG1 THR A 140 -7.352 -2.242 12.919 1.00 10.21 O ATOM 1923 CG2 THR A 140 -5.293 -2.507 14.162 1.00 32.23 C ATOM 0 H THR A 140 -7.274 -4.558 11.274 1.00 52.43 H new ATOM 0 HA THR A 140 -5.153 -2.582 11.389 1.00 60.34 H new ATOM 0 HB THR A 140 -6.638 -4.072 13.592 1.00 10.55 H new ATOM 0 HG1 THR A 140 -7.797 -2.028 13.766 1.00 10.21 H new ATOM 0 HG21 THR A 140 -5.825 -2.272 15.084 1.00 32.23 H new ATOM 0 HG22 THR A 140 -4.482 -3.202 14.378 1.00 32.23 H new ATOM 0 HG23 THR A 140 -4.882 -1.591 13.736 1.00 32.23 H new ATOM 1931 N ILE A 141 -3.246 -4.221 11.473 1.00 75.13 N ATOM 1932 CA ILE A 141 -2.053 -5.061 11.638 1.00 3.02 C ATOM 1933 C ILE A 141 -1.165 -4.562 12.794 1.00 22.31 C ATOM 1934 O ILE A 141 -1.055 -3.357 13.029 1.00 52.52 O ATOM 1935 CB ILE A 141 -1.220 -5.089 10.328 1.00 14.45 C ATOM 1936 CG1 ILE A 141 -2.097 -5.537 9.146 1.00 60.34 C ATOM 1937 CG2 ILE A 141 -0.005 -6.006 10.475 1.00 43.13 C ATOM 1938 CD1 ILE A 141 -1.384 -5.529 7.810 1.00 33.41 C ATOM 0 H ILE A 141 -3.124 -3.452 10.814 1.00 75.13 H new ATOM 0 HA ILE A 141 -2.397 -6.068 11.874 1.00 3.02 H new ATOM 0 HB ILE A 141 -0.859 -4.080 10.130 1.00 14.45 H new ATOM 0 HG12 ILE A 141 -2.467 -6.543 9.343 1.00 60.34 H new ATOM 0 HG13 ILE A 141 -2.968 -4.884 9.085 1.00 60.34 H new ATOM 0 HG21 ILE A 141 0.563 -6.009 9.545 1.00 43.13 H new ATOM 0 HG22 ILE A 141 0.628 -5.644 11.285 1.00 43.13 H new ATOM 0 HG23 ILE A 141 -0.339 -7.019 10.700 1.00 43.13 H new ATOM 0 HD11 ILE A 141 -2.070 -5.857 7.029 1.00 33.41 H new ATOM 0 HD12 ILE A 141 -1.038 -4.519 7.588 1.00 33.41 H new ATOM 0 HD13 ILE A 141 -0.530 -6.205 7.850 1.00 33.41 H new ATOM 1950 N SER A 142 -0.541 -5.492 13.518 1.00 75.34 N ATOM 1951 CA SER A 142 0.372 -5.143 14.619 1.00 70.10 C ATOM 1952 C SER A 142 1.656 -4.489 14.092 1.00 13.03 C ATOM 1953 O SER A 142 2.126 -4.816 13.004 1.00 60.20 O ATOM 1954 CB SER A 142 0.733 -6.390 15.441 1.00 41.11 C ATOM 1955 OG SER A 142 -0.429 -7.081 15.884 1.00 1.42 O ATOM 0 H SER A 142 -0.648 -6.495 13.365 1.00 75.34 H new ATOM 0 HA SER A 142 -0.147 -4.428 15.258 1.00 70.10 H new ATOM 0 HB2 SER A 142 1.347 -7.059 14.838 1.00 41.11 H new ATOM 0 HB3 SER A 142 1.333 -6.097 16.302 1.00 41.11 H new ATOM 0 HG SER A 142 -0.163 -7.869 16.402 1.00 1.42 H new ATOM 1961 N ALA A 143 2.228 -3.582 14.884 1.00 33.43 N ATOM 1962 CA ALA A 143 3.429 -2.825 14.492 1.00 4.24 C ATOM 1963 C ALA A 143 4.556 -3.721 13.949 1.00 65.23 C ATOM 1964 O ALA A 143 5.115 -3.451 12.883 1.00 32.54 O ATOM 1965 CB ALA A 143 3.937 -2.016 15.680 1.00 11.43 C ATOM 0 H ALA A 143 1.878 -3.348 15.813 1.00 33.43 H new ATOM 0 HA ALA A 143 3.135 -2.161 13.679 1.00 4.24 H new ATOM 0 HB1 ALA A 143 4.826 -1.457 15.386 1.00 11.43 H new ATOM 0 HB2 ALA A 143 3.162 -1.321 16.005 1.00 11.43 H new ATOM 0 HB3 ALA A 143 4.187 -2.690 16.499 1.00 11.43 H new ATOM 1971 N GLY A 144 4.886 -4.780 14.689 1.00 20.32 N ATOM 1972 CA GLY A 144 5.956 -5.687 14.285 1.00 71.34 C ATOM 1973 C GLY A 144 5.744 -6.298 12.904 1.00 34.31 C ATOM 1974 O GLY A 144 6.646 -6.296 12.064 1.00 20.35 O ATOM 0 H GLY A 144 4.429 -5.028 15.567 1.00 20.32 H new ATOM 0 HA2 GLY A 144 6.903 -5.147 14.293 1.00 71.34 H new ATOM 0 HA3 GLY A 144 6.040 -6.488 15.019 1.00 71.34 H new ATOM 1978 N GLU A 145 4.545 -6.822 12.676 1.00 2.11 N ATOM 1979 CA GLU A 145 4.189 -7.430 11.391 1.00 22.54 C ATOM 1980 C GLU A 145 4.057 -6.372 10.283 1.00 54.54 C ATOM 1981 O GLU A 145 4.478 -6.587 9.147 1.00 23.01 O ATOM 1982 CB GLU A 145 2.876 -8.210 11.546 1.00 43.51 C ATOM 1983 CG GLU A 145 2.457 -8.993 10.307 1.00 2.44 C ATOM 1984 CD GLU A 145 1.187 -9.798 10.538 1.00 4.32 C ATOM 1985 OE1 GLU A 145 1.258 -10.846 11.218 1.00 43.24 O ATOM 1986 OE2 GLU A 145 0.113 -9.381 10.062 1.00 52.23 O ATOM 0 H GLU A 145 3.795 -6.840 13.367 1.00 2.11 H new ATOM 0 HA GLU A 145 4.988 -8.111 11.097 1.00 22.54 H new ATOM 0 HB2 GLU A 145 2.976 -8.903 12.382 1.00 43.51 H new ATOM 0 HB3 GLU A 145 2.081 -7.511 11.805 1.00 43.51 H new ATOM 0 HG2 GLU A 145 2.302 -8.302 9.478 1.00 2.44 H new ATOM 0 HG3 GLU A 145 3.263 -9.666 10.014 1.00 2.44 H new ATOM 1993 N ALA A 146 3.489 -5.221 10.630 1.00 21.15 N ATOM 1994 CA ALA A 146 3.273 -4.129 9.672 1.00 73.40 C ATOM 1995 C ALA A 146 4.597 -3.574 9.120 1.00 20.15 C ATOM 1996 O ALA A 146 4.766 -3.430 7.908 1.00 14.44 O ATOM 1997 CB ALA A 146 2.467 -3.020 10.334 1.00 42.01 C ATOM 0 H ALA A 146 3.166 -5.015 11.575 1.00 21.15 H new ATOM 0 HA ALA A 146 2.717 -4.531 8.825 1.00 73.40 H new ATOM 0 HB1 ALA A 146 2.308 -2.211 9.621 1.00 42.01 H new ATOM 0 HB2 ALA A 146 1.503 -3.414 10.657 1.00 42.01 H new ATOM 0 HB3 ALA A 146 3.012 -2.640 11.198 1.00 42.01 H new ATOM 2003 N SER A 147 5.540 -3.287 10.018 1.00 24.11 N ATOM 2004 CA SER A 147 6.857 -2.738 9.635 1.00 54.53 C ATOM 2005 C SER A 147 7.635 -3.705 8.727 1.00 62.52 C ATOM 2006 O SER A 147 8.622 -3.328 8.094 1.00 22.42 O ATOM 2007 CB SER A 147 7.696 -2.428 10.889 1.00 12.52 C ATOM 2008 OG SER A 147 7.037 -1.503 11.743 1.00 33.05 O ATOM 0 H SER A 147 5.423 -3.424 11.022 1.00 24.11 H new ATOM 0 HA SER A 147 6.674 -1.818 9.079 1.00 54.53 H new ATOM 0 HB2 SER A 147 7.892 -3.351 11.434 1.00 12.52 H new ATOM 0 HB3 SER A 147 8.663 -2.023 10.590 1.00 12.52 H new ATOM 0 HG SER A 147 6.337 -1.966 12.249 1.00 33.05 H new ATOM 2014 N SER A 148 7.181 -4.955 8.669 1.00 4.15 N ATOM 2015 CA SER A 148 7.818 -5.984 7.837 1.00 13.13 C ATOM 2016 C SER A 148 7.524 -5.771 6.341 1.00 30.14 C ATOM 2017 O SER A 148 8.106 -6.447 5.488 1.00 34.14 O ATOM 2018 CB SER A 148 7.326 -7.375 8.267 1.00 22.43 C ATOM 2019 OG SER A 148 8.030 -8.420 7.607 1.00 11.32 O ATOM 0 H SER A 148 6.369 -5.285 9.191 1.00 4.15 H new ATOM 0 HA SER A 148 8.896 -5.909 7.980 1.00 13.13 H new ATOM 0 HB2 SER A 148 7.444 -7.483 9.345 1.00 22.43 H new ATOM 0 HB3 SER A 148 6.261 -7.464 8.053 1.00 22.43 H new ATOM 0 HG SER A 148 8.200 -8.163 6.677 1.00 11.32 H new ATOM 2025 N TYR A 149 6.625 -4.834 6.029 1.00 14.23 N ATOM 2026 CA TYR A 149 6.203 -4.573 4.643 1.00 13.44 C ATOM 2027 C TYR A 149 6.820 -3.273 4.084 1.00 74.33 C ATOM 2028 O TYR A 149 7.209 -2.380 4.835 1.00 50.45 O ATOM 2029 CB TYR A 149 4.670 -4.486 4.577 1.00 30.02 C ATOM 2030 CG TYR A 149 3.959 -5.713 5.125 1.00 22.01 C ATOM 2031 CD1 TYR A 149 4.102 -6.954 4.515 1.00 72.02 C ATOM 2032 CD2 TYR A 149 3.139 -5.627 6.246 1.00 33.41 C ATOM 2033 CE1 TYR A 149 3.454 -8.069 5.006 1.00 13.14 C ATOM 2034 CE2 TYR A 149 2.488 -6.739 6.742 1.00 1.13 C ATOM 2035 CZ TYR A 149 2.649 -7.957 6.119 1.00 10.41 C ATOM 2036 OH TYR A 149 1.997 -9.067 6.608 1.00 20.32 O ATOM 0 H TYR A 149 6.170 -4.238 6.720 1.00 14.23 H new ATOM 0 HA TYR A 149 6.559 -5.400 4.028 1.00 13.44 H new ATOM 0 HB2 TYR A 149 4.341 -3.609 5.134 1.00 30.02 H new ATOM 0 HB3 TYR A 149 4.369 -4.336 3.540 1.00 30.02 H new ATOM 0 HD1 TYR A 149 4.731 -7.047 3.642 1.00 72.02 H new ATOM 0 HD2 TYR A 149 3.010 -4.674 6.737 1.00 33.41 H new ATOM 0 HE1 TYR A 149 3.577 -9.026 4.520 1.00 13.14 H new ATOM 0 HE2 TYR A 149 1.856 -6.654 7.614 1.00 1.13 H new ATOM 0 HH TYR A 149 1.472 -8.817 7.397 1.00 20.32 H new ATOM 2046 N ASN A 150 6.907 -3.182 2.756 1.00 52.04 N ATOM 2047 CA ASN A 150 7.405 -1.969 2.085 1.00 42.54 C ATOM 2048 C ASN A 150 6.264 -0.960 1.848 1.00 73.45 C ATOM 2049 O ASN A 150 5.333 -1.239 1.095 1.00 20.11 O ATOM 2050 CB ASN A 150 8.050 -2.330 0.738 1.00 4.33 C ATOM 2051 CG ASN A 150 9.315 -3.160 0.879 1.00 71.12 C ATOM 2052 OD1 ASN A 150 10.084 -3.004 1.824 1.00 63.44 O ATOM 2053 ND2 ASN A 150 9.543 -4.049 -0.069 1.00 22.33 N ATOM 0 H ASN A 150 6.640 -3.932 2.119 1.00 52.04 H new ATOM 0 HA ASN A 150 8.150 -1.512 2.736 1.00 42.54 H new ATOM 0 HB2 ASN A 150 7.329 -2.880 0.134 1.00 4.33 H new ATOM 0 HB3 ASN A 150 8.284 -1.413 0.198 1.00 4.33 H new ATOM 0 HD21 ASN A 150 10.379 -4.632 -0.031 1.00 22.33 H new ATOM 0 HD22 ASN A 150 8.883 -4.153 -0.840 1.00 22.33 H new ATOM 2060 N TYR A 151 6.339 0.210 2.484 1.00 70.32 N ATOM 2061 CA TYR A 151 5.303 1.246 2.323 1.00 43.22 C ATOM 2062 C TYR A 151 5.659 2.252 1.213 1.00 50.31 C ATOM 2063 O TYR A 151 6.694 2.920 1.266 1.00 42.20 O ATOM 2064 CB TYR A 151 5.080 2.007 3.639 1.00 22.34 C ATOM 2065 CG TYR A 151 4.462 1.174 4.748 1.00 20.42 C ATOM 2066 CD1 TYR A 151 5.241 0.331 5.535 1.00 15.25 C ATOM 2067 CD2 TYR A 151 3.098 1.243 5.016 1.00 14.10 C ATOM 2068 CE1 TYR A 151 4.677 -0.418 6.551 1.00 72.32 C ATOM 2069 CE2 TYR A 151 2.530 0.500 6.031 1.00 23.40 C ATOM 2070 CZ TYR A 151 3.321 -0.328 6.793 1.00 24.32 C ATOM 2071 OH TYR A 151 2.754 -1.066 7.804 1.00 12.23 O ATOM 0 H TYR A 151 7.099 0.469 3.113 1.00 70.32 H new ATOM 0 HA TYR A 151 4.387 0.728 2.039 1.00 43.22 H new ATOM 0 HB2 TYR A 151 6.037 2.398 3.985 1.00 22.34 H new ATOM 0 HB3 TYR A 151 4.437 2.865 3.444 1.00 22.34 H new ATOM 0 HD1 TYR A 151 6.303 0.261 5.349 1.00 15.25 H new ATOM 0 HD2 TYR A 151 2.473 1.890 4.419 1.00 14.10 H new ATOM 0 HE1 TYR A 151 5.294 -1.070 7.152 1.00 72.32 H new ATOM 0 HE2 TYR A 151 1.470 0.568 6.226 1.00 23.40 H new ATOM 0 HH TYR A 151 1.887 -1.414 7.508 1.00 12.23 H new ATOM 2081 N ILE A 152 4.790 2.359 0.213 1.00 41.45 N ATOM 2082 CA ILE A 152 4.934 3.368 -0.839 1.00 33.41 C ATOM 2083 C ILE A 152 4.205 4.662 -0.441 1.00 42.21 C ATOM 2084 O ILE A 152 2.977 4.698 -0.373 1.00 60.33 O ATOM 2085 CB ILE A 152 4.384 2.872 -2.208 1.00 51.32 C ATOM 2086 CG1 ILE A 152 5.127 1.606 -2.691 1.00 51.43 C ATOM 2087 CG2 ILE A 152 4.486 3.976 -3.261 1.00 64.31 C ATOM 2088 CD1 ILE A 152 4.753 0.338 -1.948 1.00 40.12 C ATOM 0 H ILE A 152 3.973 1.757 0.106 1.00 41.45 H new ATOM 0 HA ILE A 152 6.001 3.559 -0.951 1.00 33.41 H new ATOM 0 HB ILE A 152 3.334 2.614 -2.066 1.00 51.32 H new ATOM 0 HG12 ILE A 152 4.925 1.464 -3.753 1.00 51.43 H new ATOM 0 HG13 ILE A 152 6.200 1.769 -2.590 1.00 51.43 H new ATOM 0 HG21 ILE A 152 4.097 3.610 -4.211 1.00 64.31 H new ATOM 0 HG22 ILE A 152 3.905 4.840 -2.940 1.00 64.31 H new ATOM 0 HG23 ILE A 152 5.529 4.266 -3.384 1.00 64.31 H new ATOM 0 HD11 ILE A 152 5.321 -0.501 -2.351 1.00 40.12 H new ATOM 0 HD12 ILE A 152 4.982 0.456 -0.889 1.00 40.12 H new ATOM 0 HD13 ILE A 152 3.687 0.146 -2.069 1.00 40.12 H new ATOM 2100 N HIS A 153 4.972 5.714 -0.172 1.00 60.22 N ATOM 2101 CA HIS A 153 4.418 7.000 0.262 1.00 22.55 C ATOM 2102 C HIS A 153 4.311 7.978 -0.916 1.00 54.21 C ATOM 2103 O HIS A 153 5.236 8.092 -1.724 1.00 45.54 O ATOM 2104 CB HIS A 153 5.305 7.610 1.352 1.00 51.22 C ATOM 2105 CG HIS A 153 5.523 6.716 2.537 1.00 20.02 C ATOM 2106 ND1 HIS A 153 4.948 6.945 3.765 1.00 24.13 N ATOM 2107 CD2 HIS A 153 6.288 5.605 2.687 1.00 65.01 C ATOM 2108 CE1 HIS A 153 5.348 6.022 4.615 1.00 44.45 C ATOM 2109 NE2 HIS A 153 6.158 5.196 3.991 1.00 45.41 N ATOM 0 H HIS A 153 5.989 5.704 -0.247 1.00 60.22 H new ATOM 0 HA HIS A 153 3.418 6.822 0.659 1.00 22.55 H new ATOM 0 HB2 HIS A 153 6.273 7.863 0.918 1.00 51.22 H new ATOM 0 HB3 HIS A 153 4.855 8.543 1.692 1.00 51.22 H new ATOM 0 HD1 HIS A 153 4.311 7.711 3.984 1.00 24.13 H new ATOM 0 HD2 HIS A 153 6.887 5.131 1.923 1.00 65.01 H new ATOM 0 HE1 HIS A 153 5.058 5.955 5.653 1.00 44.45 H new ATOM 2118 N LEU A 154 3.193 8.694 -1.009 1.00 53.13 N ATOM 2119 CA LEU A 154 2.981 9.636 -2.114 1.00 14.25 C ATOM 2120 C LEU A 154 3.382 11.070 -1.740 1.00 42.24 C ATOM 2121 O LEU A 154 2.595 11.822 -1.165 1.00 5.12 O ATOM 2122 CB LEU A 154 1.521 9.611 -2.581 1.00 12.10 C ATOM 2123 CG LEU A 154 0.997 8.242 -3.041 1.00 4.42 C ATOM 2124 CD1 LEU A 154 -0.359 8.397 -3.723 1.00 24.43 C ATOM 2125 CD2 LEU A 154 1.998 7.551 -3.968 1.00 4.34 C ATOM 0 H LEU A 154 2.424 8.644 -0.341 1.00 53.13 H new ATOM 0 HA LEU A 154 3.626 9.311 -2.930 1.00 14.25 H new ATOM 0 HB2 LEU A 154 0.891 9.966 -1.766 1.00 12.10 H new ATOM 0 HB3 LEU A 154 1.408 10.318 -3.403 1.00 12.10 H new ATOM 0 HG LEU A 154 0.872 7.611 -2.161 1.00 4.42 H new ATOM 0 HD11 LEU A 154 -0.719 7.419 -4.044 1.00 24.43 H new ATOM 0 HD12 LEU A 154 -1.071 8.833 -3.022 1.00 24.43 H new ATOM 0 HD13 LEU A 154 -0.258 9.049 -4.591 1.00 24.43 H new ATOM 0 HD21 LEU A 154 1.600 6.585 -4.277 1.00 4.34 H new ATOM 0 HD22 LEU A 154 2.168 8.172 -4.848 1.00 4.34 H new ATOM 0 HD23 LEU A 154 2.940 7.403 -3.441 1.00 4.34 H new