USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 880 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 93 THR OG1 : rot -74:sc= 0.401 USER MOD Set 1.2: A 96 GLN : amide:sc= 0.547 K(o=0.95,f=-3.1!) USER MOD Set 2.1: A 38 TYR OH : rot 30:sc= -0.56 USER MOD Set 2.2: A 98 HIS : no HD1:sc= -0.338 X(o=-0.9,f=-0.6) USER MOD Set 3.1: A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0986 USER MOD Single : A 14 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -29:sc= 0.0396 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 36:sc= -0.423 USER MOD Single : A 41 SER OG : rot 84:sc= 0.0686 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.298 K(o=-0.3,f=-1.5) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -144:sc= 0.149 (180deg=0) USER MOD Single : A 59 SER OG : rot -53:sc= 0.00115 USER MOD Single : A 63 ASN : amide:sc= -0.0452 X(o=-0.045,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -133:sc= 0.161 (180deg=-0.213) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 80 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 83 THR OG1 : rot 86:sc= 1.8 USER MOD Single : A 87 ASN : amide:sc= 0.727 K(o=0.73,f=-0.0074) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 41:sc= 0.0228 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 90:sc= 0.368 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 -16.828 -10.807 1.905 1.00 0.00 N ATOM 2 CA MET A 9 -17.493 -11.950 1.213 1.00 0.00 C ATOM 3 C MET A 9 -16.738 -12.343 -0.054 1.00 0.00 C ATOM 4 O MET A 9 -16.024 -11.526 -0.639 1.00 0.00 O ATOM 5 CB MET A 9 -18.936 -11.557 0.871 1.00 0.00 C ATOM 6 CG MET A 9 -19.893 -11.655 2.048 1.00 0.00 C ATOM 7 SD MET A 9 -21.541 -12.203 1.566 1.00 0.00 S ATOM 8 CE MET A 9 -21.900 -13.389 2.861 1.00 0.00 C ATOM 0 HA MET A 9 -17.493 -12.813 1.878 1.00 0.00 H new ATOM 0 HB2 MET A 9 -18.944 -10.535 0.492 1.00 0.00 H new ATOM 0 HB3 MET A 9 -19.297 -12.198 0.067 1.00 0.00 H new ATOM 0 HG2 MET A 9 -19.486 -12.348 2.784 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.966 -10.681 2.533 1.00 0.00 H new ATOM 0 HE1 MET A 9 -22.890 -13.816 2.699 1.00 0.00 H new ATOM 0 HE2 MET A 9 -21.155 -14.184 2.843 1.00 0.00 H new ATOM 0 HE3 MET A 9 -21.874 -12.889 3.829 1.00 0.00 H new ATOM 18 N SER A 10 -16.906 -13.597 -0.472 1.00 0.00 N ATOM 19 CA SER A 10 -16.246 -14.112 -1.673 1.00 0.00 C ATOM 20 C SER A 10 -16.495 -13.207 -2.880 1.00 0.00 C ATOM 21 O SER A 10 -15.615 -13.035 -3.723 1.00 0.00 O ATOM 22 CB SER A 10 -16.726 -15.534 -1.983 1.00 0.00 C ATOM 23 OG SER A 10 -17.208 -16.180 -0.816 1.00 0.00 O ATOM 0 H SER A 10 -17.496 -14.278 0.005 1.00 0.00 H new ATOM 0 HA SER A 10 -15.174 -14.130 -1.475 1.00 0.00 H new ATOM 0 HB2 SER A 10 -17.515 -15.498 -2.734 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.906 -16.112 -2.409 1.00 0.00 H new ATOM 0 HG SER A 10 -17.509 -17.084 -1.043 1.00 0.00 H new ATOM 29 N ALA A 11 -17.698 -12.627 -2.951 1.00 0.00 N ATOM 30 CA ALA A 11 -18.061 -11.733 -4.054 1.00 0.00 C ATOM 31 C ALA A 11 -17.056 -10.590 -4.197 1.00 0.00 C ATOM 32 O ALA A 11 -16.776 -10.135 -5.305 1.00 0.00 O ATOM 33 CB ALA A 11 -19.466 -11.180 -3.848 1.00 0.00 C ATOM 0 H ALA A 11 -18.435 -12.761 -2.259 1.00 0.00 H new ATOM 0 HA ALA A 11 -18.041 -12.314 -4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.721 -10.518 -4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.179 -12.003 -3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.504 -10.623 -2.912 1.00 0.00 H new ATOM 39 N PHE A 12 -16.516 -10.134 -3.067 1.00 0.00 N ATOM 40 CA PHE A 12 -15.539 -9.050 -3.066 1.00 0.00 C ATOM 41 C PHE A 12 -14.107 -9.592 -3.003 1.00 0.00 C ATOM 42 O PHE A 12 -13.207 -9.038 -3.635 1.00 0.00 O ATOM 43 CB PHE A 12 -15.790 -8.106 -1.887 1.00 0.00 C ATOM 44 CG PHE A 12 -16.615 -6.897 -2.243 1.00 0.00 C ATOM 45 CD1 PHE A 12 -16.122 -5.933 -3.109 1.00 0.00 C ATOM 46 CD2 PHE A 12 -17.881 -6.724 -1.705 1.00 0.00 C ATOM 47 CE1 PHE A 12 -16.875 -4.819 -3.431 1.00 0.00 C ATOM 48 CE2 PHE A 12 -18.638 -5.612 -2.025 1.00 0.00 C ATOM 49 CZ PHE A 12 -18.135 -4.659 -2.889 1.00 0.00 C ATOM 0 H PHE A 12 -16.740 -10.500 -2.141 1.00 0.00 H new ATOM 0 HA PHE A 12 -15.655 -8.498 -3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.294 -8.657 -1.093 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -14.831 -7.776 -1.487 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.138 -6.054 -3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.280 -7.466 -1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -16.478 -4.075 -4.106 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -19.623 -5.489 -1.599 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.726 -3.791 -3.140 1.00 0.00 H new ATOM 59 N VAL A 13 -13.900 -10.670 -2.241 1.00 0.00 N ATOM 60 CA VAL A 13 -12.569 -11.270 -2.107 1.00 0.00 C ATOM 61 C VAL A 13 -12.015 -11.683 -3.470 1.00 0.00 C ATOM 62 O VAL A 13 -10.868 -11.375 -3.802 1.00 0.00 O ATOM 63 CB VAL A 13 -12.578 -12.501 -1.170 1.00 0.00 C ATOM 64 CG1 VAL A 13 -11.166 -13.033 -0.963 1.00 0.00 C ATOM 65 CG2 VAL A 13 -13.222 -12.159 0.169 1.00 0.00 C ATOM 0 H VAL A 13 -14.632 -11.143 -1.711 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.928 -10.506 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.172 -13.282 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.197 -13.898 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.743 -13.326 -1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.546 -12.256 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.217 -13.040 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.660 -11.357 0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.250 -11.835 0.006 1.00 0.00 H new ATOM 75 N THR A 14 -12.837 -12.372 -4.261 1.00 0.00 N ATOM 76 CA THR A 14 -12.429 -12.815 -5.593 1.00 0.00 C ATOM 77 C THR A 14 -12.086 -11.616 -6.479 1.00 0.00 C ATOM 78 O THR A 14 -11.083 -11.630 -7.192 1.00 0.00 O ATOM 79 CB THR A 14 -13.536 -13.650 -6.245 1.00 0.00 C ATOM 80 OG1 THR A 14 -14.053 -14.603 -5.334 1.00 0.00 O ATOM 81 CG2 THR A 14 -13.076 -14.398 -7.477 1.00 0.00 C ATOM 0 H THR A 14 -13.788 -12.635 -4.003 1.00 0.00 H new ATOM 0 HA THR A 14 -11.539 -13.435 -5.486 1.00 0.00 H new ATOM 0 HB THR A 14 -14.300 -12.931 -6.539 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.747 -14.185 -4.782 1.00 0.00 H new ATOM 0 HG21 THR A 14 -13.909 -14.969 -7.888 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.720 -13.687 -8.222 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.268 -15.078 -7.209 1.00 0.00 H new ATOM 89 N LYS A 15 -12.926 -10.578 -6.422 1.00 0.00 N ATOM 90 CA LYS A 15 -12.707 -9.366 -7.212 1.00 0.00 C ATOM 91 C LYS A 15 -11.413 -8.667 -6.798 1.00 0.00 C ATOM 92 O LYS A 15 -10.711 -8.097 -7.634 1.00 0.00 O ATOM 93 CB LYS A 15 -13.891 -8.405 -7.067 1.00 0.00 C ATOM 94 CG LYS A 15 -15.092 -8.777 -7.926 1.00 0.00 C ATOM 95 CD LYS A 15 -15.653 -7.569 -8.662 1.00 0.00 C ATOM 96 CE LYS A 15 -16.584 -6.753 -7.777 1.00 0.00 C ATOM 97 NZ LYS A 15 -16.569 -5.306 -8.132 1.00 0.00 N ATOM 0 H LYS A 15 -13.762 -10.554 -5.838 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.620 -9.662 -8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.198 -8.377 -6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.565 -7.399 -7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.801 -9.540 -8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.868 -9.213 -7.297 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.833 -6.939 -9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.193 -7.901 -9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.600 -7.138 -7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.290 -6.873 -6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.217 -4.788 -7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.605 -4.931 -8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.874 -5.188 -9.119 1.00 0.00 H new ATOM 111 N ALA A 16 -11.102 -8.717 -5.502 1.00 0.00 N ATOM 112 CA ALA A 16 -9.889 -8.093 -4.977 1.00 0.00 C ATOM 113 C ALA A 16 -8.643 -8.699 -5.618 1.00 0.00 C ATOM 114 O ALA A 16 -7.730 -7.975 -6.018 1.00 0.00 O ATOM 115 CB ALA A 16 -9.827 -8.236 -3.462 1.00 0.00 C ATOM 0 H ALA A 16 -11.674 -9.183 -4.798 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.920 -7.032 -5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.917 -7.766 -3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.695 -7.752 -3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.824 -9.293 -3.196 1.00 0.00 H new ATOM 121 N GLU A 17 -8.614 -10.029 -5.718 1.00 0.00 N ATOM 122 CA GLU A 17 -7.481 -10.732 -6.319 1.00 0.00 C ATOM 123 C GLU A 17 -7.296 -10.316 -7.778 1.00 0.00 C ATOM 124 O GLU A 17 -6.170 -10.193 -8.259 1.00 0.00 O ATOM 125 CB GLU A 17 -7.676 -12.249 -6.233 1.00 0.00 C ATOM 126 CG GLU A 17 -8.121 -12.731 -4.860 1.00 0.00 C ATOM 127 CD GLU A 17 -7.406 -13.995 -4.425 1.00 0.00 C ATOM 128 OE1 GLU A 17 -7.857 -15.095 -4.808 1.00 0.00 O ATOM 129 OE2 GLU A 17 -6.392 -13.884 -3.704 1.00 0.00 O ATOM 0 H GLU A 17 -9.362 -10.640 -5.391 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.586 -10.460 -5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.416 -12.554 -6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.740 -12.742 -6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.940 -11.945 -4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.196 -12.912 -4.874 1.00 0.00 H new ATOM 136 N GLU A 18 -8.411 -10.090 -8.472 1.00 0.00 N ATOM 137 CA GLU A 18 -8.372 -9.675 -9.870 1.00 0.00 C ATOM 138 C GLU A 18 -7.825 -8.249 -9.998 1.00 0.00 C ATOM 139 O GLU A 18 -7.164 -7.920 -10.983 1.00 0.00 O ATOM 140 CB GLU A 18 -9.769 -9.763 -10.490 1.00 0.00 C ATOM 141 CG GLU A 18 -10.321 -11.181 -10.542 1.00 0.00 C ATOM 142 CD GLU A 18 -11.450 -11.341 -11.546 1.00 0.00 C ATOM 143 OE1 GLU A 18 -11.267 -10.938 -12.714 1.00 0.00 O ATOM 144 OE2 GLU A 18 -12.512 -11.874 -11.163 1.00 0.00 O ATOM 0 H GLU A 18 -9.351 -10.188 -8.088 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.705 -10.349 -10.408 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.452 -9.136 -9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.736 -9.357 -11.501 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.515 -11.870 -10.796 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.680 -11.462 -9.552 1.00 0.00 H new ATOM 151 N MET A 19 -8.100 -7.411 -8.994 1.00 0.00 N ATOM 152 CA MET A 19 -7.633 -6.023 -8.995 1.00 0.00 C ATOM 153 C MET A 19 -6.115 -5.953 -8.822 1.00 0.00 C ATOM 154 O MET A 19 -5.434 -5.252 -9.570 1.00 0.00 O ATOM 155 CB MET A 19 -8.319 -5.222 -7.884 1.00 0.00 C ATOM 156 CG MET A 19 -8.967 -3.937 -8.370 1.00 0.00 C ATOM 157 SD MET A 19 -7.759 -2.675 -8.814 1.00 0.00 S ATOM 158 CE MET A 19 -8.738 -1.631 -9.890 1.00 0.00 C ATOM 0 H MET A 19 -8.644 -7.670 -8.171 1.00 0.00 H new ATOM 0 HA MET A 19 -7.893 -5.587 -9.960 1.00 0.00 H new ATOM 0 HB2 MET A 19 -9.079 -5.846 -7.414 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.585 -4.980 -7.116 1.00 0.00 H new ATOM 0 HG2 MET A 19 -9.593 -4.155 -9.235 1.00 0.00 H new ATOM 0 HG3 MET A 19 -9.623 -3.548 -7.591 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.127 -0.802 -10.247 1.00 0.00 H new ATOM 0 HE2 MET A 19 -9.091 -2.214 -10.740 1.00 0.00 H new ATOM 0 HE3 MET A 19 -9.593 -1.240 -9.338 1.00 0.00 H new ATOM 168 N ILE A 20 -5.591 -6.687 -7.836 1.00 0.00 N ATOM 169 CA ILE A 20 -4.159 -6.711 -7.571 1.00 0.00 C ATOM 170 C ILE A 20 -3.398 -7.456 -8.670 1.00 0.00 C ATOM 171 O ILE A 20 -2.174 -7.349 -8.765 1.00 0.00 O ATOM 172 CB ILE A 20 -3.849 -7.367 -6.208 1.00 0.00 C ATOM 173 CG1 ILE A 20 -4.539 -8.731 -6.083 1.00 0.00 C ATOM 174 CG2 ILE A 20 -4.262 -6.448 -5.067 1.00 0.00 C ATOM 175 CD1 ILE A 20 -3.802 -9.703 -5.191 1.00 0.00 C ATOM 0 H ILE A 20 -6.143 -7.272 -7.209 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.828 -5.673 -7.551 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.773 -7.530 -6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.546 -8.585 -5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.642 -9.169 -7.076 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.036 -6.927 -4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.714 -5.509 -5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.332 -6.250 -5.129 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.348 -10.645 -5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.804 -9.879 -5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.722 -9.286 -4.187 1.00 0.00 H new ATOM 187 N LYS A 21 -4.127 -8.213 -9.494 1.00 0.00 N ATOM 188 CA LYS A 21 -3.520 -8.974 -10.579 1.00 0.00 C ATOM 189 C LYS A 21 -2.821 -8.047 -11.574 1.00 0.00 C ATOM 190 O LYS A 21 -1.606 -8.124 -11.760 1.00 0.00 O ATOM 191 CB LYS A 21 -4.582 -9.802 -11.302 1.00 0.00 C ATOM 192 CG LYS A 21 -4.061 -11.116 -11.863 1.00 0.00 C ATOM 193 CD LYS A 21 -4.888 -11.577 -13.050 1.00 0.00 C ATOM 194 CE LYS A 21 -4.469 -12.960 -13.523 1.00 0.00 C ATOM 195 NZ LYS A 21 -5.195 -13.372 -14.757 1.00 0.00 N ATOM 0 H LYS A 21 -5.140 -8.313 -9.427 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.775 -9.642 -10.147 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.398 -10.011 -10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.998 -9.210 -12.117 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.021 -10.997 -12.166 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.081 -11.879 -11.085 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.943 -11.590 -12.776 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.780 -10.864 -13.868 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.396 -12.968 -13.714 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.657 -13.686 -12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.880 -14.320 -15.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.218 -13.390 -14.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.995 -12.694 -15.520 1.00 0.00 H new ATOM 209 N SER A 22 -3.598 -7.162 -12.203 1.00 0.00 N ATOM 210 CA SER A 22 -3.056 -6.212 -13.172 1.00 0.00 C ATOM 211 C SER A 22 -2.487 -4.980 -12.465 1.00 0.00 C ATOM 212 O SER A 22 -1.668 -4.256 -13.033 1.00 0.00 O ATOM 213 CB SER A 22 -4.134 -5.787 -14.176 1.00 0.00 C ATOM 214 OG SER A 22 -4.106 -6.608 -15.333 1.00 0.00 O ATOM 0 H SER A 22 -4.605 -7.085 -12.057 1.00 0.00 H new ATOM 0 HA SER A 22 -2.250 -6.708 -13.712 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.116 -5.847 -13.707 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.980 -4.746 -14.461 1.00 0.00 H new ATOM 0 HG SER A 22 -4.804 -6.318 -15.957 1.00 0.00 H new ATOM 220 N HIS A 23 -2.915 -4.759 -11.221 1.00 0.00 N ATOM 221 CA HIS A 23 -2.437 -3.629 -10.437 1.00 0.00 C ATOM 222 C HIS A 23 -1.738 -4.114 -9.167 1.00 0.00 C ATOM 223 O HIS A 23 -2.237 -3.921 -8.058 1.00 0.00 O ATOM 224 CB HIS A 23 -3.594 -2.689 -10.082 1.00 0.00 C ATOM 225 CG HIS A 23 -3.963 -1.747 -11.184 1.00 0.00 C ATOM 226 ND1 HIS A 23 -3.173 -0.682 -11.563 1.00 0.00 N ATOM 227 CD2 HIS A 23 -5.049 -1.714 -11.992 1.00 0.00 C ATOM 228 CE1 HIS A 23 -3.755 -0.034 -12.554 1.00 0.00 C ATOM 229 NE2 HIS A 23 -4.895 -0.640 -12.834 1.00 0.00 N ATOM 0 H HIS A 23 -3.592 -5.350 -10.738 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.716 -3.077 -11.040 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.467 -3.286 -9.818 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.323 -2.112 -9.198 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.880 -2.403 -11.977 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -3.366 0.842 -13.051 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.554 -0.356 -13.559 1.00 0.00 H new ATOM 238 N PRO A 24 -0.563 -4.757 -9.318 1.00 0.00 N ATOM 239 CA PRO A 24 0.209 -5.275 -8.181 1.00 0.00 C ATOM 240 C PRO A 24 0.817 -4.165 -7.319 1.00 0.00 C ATOM 241 O PRO A 24 1.181 -4.402 -6.167 1.00 0.00 O ATOM 242 CB PRO A 24 1.310 -6.104 -8.849 1.00 0.00 C ATOM 243 CG PRO A 24 1.471 -5.504 -10.200 1.00 0.00 C ATOM 244 CD PRO A 24 0.104 -5.032 -10.607 1.00 0.00 C ATOM 0 HA PRO A 24 -0.417 -5.844 -7.494 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.240 -6.057 -8.282 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.029 -7.155 -8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.179 -4.676 -10.178 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.858 -6.236 -10.909 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.157 -4.139 -11.230 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.428 -5.791 -11.181 1.00 0.00 H new ATOM 252 N TYR A 25 0.921 -2.958 -7.879 1.00 0.00 N ATOM 253 CA TYR A 25 1.478 -1.820 -7.154 1.00 0.00 C ATOM 254 C TYR A 25 0.373 -1.059 -6.421 1.00 0.00 C ATOM 255 O TYR A 25 0.031 0.067 -6.789 1.00 0.00 O ATOM 256 CB TYR A 25 2.213 -0.883 -8.120 1.00 0.00 C ATOM 257 CG TYR A 25 3.677 -1.220 -8.323 1.00 0.00 C ATOM 258 CD1 TYR A 25 4.510 -1.485 -7.243 1.00 0.00 C ATOM 259 CD2 TYR A 25 4.223 -1.268 -9.600 1.00 0.00 C ATOM 260 CE1 TYR A 25 5.847 -1.787 -7.430 1.00 0.00 C ATOM 261 CE2 TYR A 25 5.558 -1.568 -9.795 1.00 0.00 C ATOM 262 CZ TYR A 25 6.366 -1.827 -8.707 1.00 0.00 C ATOM 263 OH TYR A 25 7.697 -2.125 -8.897 1.00 0.00 O ATOM 0 H TYR A 25 0.626 -2.746 -8.832 1.00 0.00 H new ATOM 0 HA TYR A 25 2.189 -2.195 -6.418 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.709 -0.908 -9.086 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.136 0.138 -7.747 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.107 -1.455 -6.241 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.594 -1.068 -10.454 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.481 -1.990 -6.580 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.967 -1.600 -10.794 1.00 0.00 H new ATOM 0 HH TYR A 25 7.901 -2.113 -9.855 1.00 0.00 H new ATOM 273 N PHE A 26 -0.185 -1.685 -5.384 1.00 0.00 N ATOM 274 CA PHE A 26 -1.254 -1.071 -4.601 1.00 0.00 C ATOM 275 C PHE A 26 -0.751 -0.643 -3.224 1.00 0.00 C ATOM 276 O PHE A 26 0.026 -1.359 -2.588 1.00 0.00 O ATOM 277 CB PHE A 26 -2.431 -2.041 -4.449 1.00 0.00 C ATOM 278 CG PHE A 26 -3.687 -1.583 -5.142 1.00 0.00 C ATOM 279 CD1 PHE A 26 -3.789 -1.625 -6.524 1.00 0.00 C ATOM 280 CD2 PHE A 26 -4.768 -1.111 -4.410 1.00 0.00 C ATOM 281 CE1 PHE A 26 -4.941 -1.207 -7.163 1.00 0.00 C ATOM 282 CE2 PHE A 26 -5.922 -0.692 -5.044 1.00 0.00 C ATOM 283 CZ PHE A 26 -6.009 -0.740 -6.421 1.00 0.00 C ATOM 0 H PHE A 26 0.086 -2.616 -5.068 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.591 -0.183 -5.135 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.142 -3.014 -4.846 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.642 -2.179 -3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.957 -1.989 -7.109 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.706 -1.071 -3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.006 -1.245 -8.240 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.756 -0.327 -4.463 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.911 -0.413 -6.918 1.00 0.00 H new ATOM 293 N GLN A 27 -1.198 0.528 -2.769 1.00 0.00 N ATOM 294 CA GLN A 27 -0.794 1.054 -1.468 1.00 0.00 C ATOM 295 C GLN A 27 -2.011 1.469 -0.643 1.00 0.00 C ATOM 296 O GLN A 27 -2.841 2.255 -1.098 1.00 0.00 O ATOM 297 CB GLN A 27 0.146 2.248 -1.646 1.00 0.00 C ATOM 298 CG GLN A 27 1.239 2.327 -0.593 1.00 0.00 C ATOM 299 CD GLN A 27 1.867 3.706 -0.503 1.00 0.00 C ATOM 300 OE1 GLN A 27 1.467 4.529 0.318 1.00 0.00 O ATOM 301 NE2 GLN A 27 2.860 3.963 -1.349 1.00 0.00 N ATOM 0 H GLN A 27 -1.841 1.130 -3.284 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.269 0.262 -0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.607 2.192 -2.632 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.439 3.167 -1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.823 2.058 0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.013 1.594 -0.822 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.160 3.251 -2.014 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.321 4.873 -1.333 1.00 0.00 H new ATOM 310 N LEU A 28 -2.106 0.934 0.573 1.00 0.00 N ATOM 311 CA LEU A 28 -3.218 1.245 1.469 1.00 0.00 C ATOM 312 C LEU A 28 -2.806 2.291 2.502 1.00 0.00 C ATOM 313 O LEU A 28 -1.956 2.031 3.358 1.00 0.00 O ATOM 314 CB LEU A 28 -3.707 -0.027 2.172 1.00 0.00 C ATOM 315 CG LEU A 28 -4.962 -0.664 1.570 1.00 0.00 C ATOM 316 CD1 LEU A 28 -4.783 -0.895 0.077 1.00 0.00 C ATOM 317 CD2 LEU A 28 -5.286 -1.972 2.279 1.00 0.00 C ATOM 0 H LEU A 28 -1.425 0.282 0.961 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.033 1.654 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.903 -0.763 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.905 0.208 3.218 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.798 0.022 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.686 -1.348 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.599 0.058 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.936 -1.560 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.181 -2.412 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.450 -2.663 2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.459 -1.779 3.338 1.00 0.00 H new ATOM 329 N SER A 29 -3.410 3.474 2.412 1.00 0.00 N ATOM 330 CA SER A 29 -3.105 4.568 3.334 1.00 0.00 C ATOM 331 C SER A 29 -4.287 5.536 3.455 1.00 0.00 C ATOM 332 O SER A 29 -5.299 5.384 2.770 1.00 0.00 O ATOM 333 CB SER A 29 -1.851 5.322 2.872 1.00 0.00 C ATOM 334 OG SER A 29 -1.721 5.292 1.460 1.00 0.00 O ATOM 0 H SER A 29 -4.114 3.700 1.710 1.00 0.00 H new ATOM 0 HA SER A 29 -2.918 4.135 4.317 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.900 6.356 3.213 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.968 4.877 3.330 1.00 0.00 H new ATOM 0 HG SER A 29 -0.914 5.782 1.195 1.00 0.00 H new ATOM 340 N ALA A 30 -4.146 6.526 4.338 1.00 0.00 N ATOM 341 CA ALA A 30 -5.194 7.523 4.560 1.00 0.00 C ATOM 342 C ALA A 30 -4.610 8.935 4.643 1.00 0.00 C ATOM 343 O ALA A 30 -3.392 9.113 4.696 1.00 0.00 O ATOM 344 CB ALA A 30 -5.966 7.195 5.832 1.00 0.00 C ATOM 0 H ALA A 30 -3.314 6.659 4.912 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.875 7.493 3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.744 7.943 5.989 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.423 6.210 5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.284 7.197 6.682 1.00 0.00 H new ATOM 350 N SER A 31 -5.493 9.936 4.655 1.00 0.00 N ATOM 351 CA SER A 31 -5.072 11.336 4.732 1.00 0.00 C ATOM 352 C SER A 31 -5.253 11.910 6.145 1.00 0.00 C ATOM 353 O SER A 31 -4.704 12.969 6.461 1.00 0.00 O ATOM 354 CB SER A 31 -5.863 12.175 3.724 1.00 0.00 C ATOM 355 OG SER A 31 -5.243 13.431 3.497 1.00 0.00 O ATOM 0 H SER A 31 -6.503 9.803 4.612 1.00 0.00 H new ATOM 0 HA SER A 31 -4.010 11.376 4.491 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.946 11.633 2.782 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.877 12.329 4.093 1.00 0.00 H new ATOM 0 HG SER A 31 -4.752 13.703 4.300 1.00 0.00 H new ATOM 361 N TRP A 32 -6.023 11.217 6.990 1.00 0.00 N ATOM 362 CA TRP A 32 -6.267 11.671 8.360 1.00 0.00 C ATOM 363 C TRP A 32 -5.162 11.202 9.314 1.00 0.00 C ATOM 364 O TRP A 32 -4.749 11.945 10.205 1.00 0.00 O ATOM 365 CB TRP A 32 -7.631 11.170 8.850 1.00 0.00 C ATOM 366 CG TRP A 32 -8.196 11.953 10.002 1.00 0.00 C ATOM 367 CD1 TRP A 32 -7.893 13.241 10.353 1.00 0.00 C ATOM 368 CD2 TRP A 32 -9.164 11.497 10.956 1.00 0.00 C ATOM 369 NE1 TRP A 32 -8.614 13.608 11.464 1.00 0.00 N ATOM 370 CE2 TRP A 32 -9.401 12.555 11.853 1.00 0.00 C ATOM 371 CE3 TRP A 32 -9.851 10.293 11.139 1.00 0.00 C ATOM 372 CZ2 TRP A 32 -10.298 12.446 12.914 1.00 0.00 C ATOM 373 CZ3 TRP A 32 -10.743 10.188 12.192 1.00 0.00 C ATOM 374 CH2 TRP A 32 -10.957 11.258 13.067 1.00 0.00 C ATOM 0 H TRP A 32 -6.487 10.341 6.749 1.00 0.00 H new ATOM 0 HA TRP A 32 -6.265 12.761 8.353 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.338 11.204 8.021 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -7.537 10.125 9.146 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -7.191 13.876 9.833 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -8.571 14.517 11.925 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.689 9.460 10.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -10.466 13.270 13.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -11.283 9.264 12.341 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -11.658 11.143 13.881 1.00 0.00 H new ATOM 385 N CYS A 33 -4.693 9.964 9.126 1.00 0.00 N ATOM 386 CA CYS A 33 -3.640 9.397 9.973 1.00 0.00 C ATOM 387 C CYS A 33 -2.278 10.030 9.669 1.00 0.00 C ATOM 388 O CYS A 33 -1.957 10.302 8.509 1.00 0.00 O ATOM 389 CB CYS A 33 -3.564 7.877 9.783 1.00 0.00 C ATOM 390 SG CYS A 33 -4.739 6.942 10.792 1.00 0.00 S ATOM 0 H CYS A 33 -5.026 9.336 8.395 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.893 9.617 11.010 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.739 7.645 8.733 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.554 7.543 10.019 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.597 5.671 10.558 1.00 0.00 H new ATOM 396 N PRO A 34 -1.461 10.273 10.717 1.00 0.00 N ATOM 397 CA PRO A 34 -0.129 10.875 10.567 1.00 0.00 C ATOM 398 C PRO A 34 0.905 9.909 9.982 1.00 0.00 C ATOM 399 O PRO A 34 1.731 10.310 9.166 1.00 0.00 O ATOM 400 CB PRO A 34 0.249 11.260 11.998 1.00 0.00 C ATOM 401 CG PRO A 34 -0.500 10.307 12.860 1.00 0.00 C ATOM 402 CD PRO A 34 -1.777 9.980 12.129 1.00 0.00 C ATOM 0 HA PRO A 34 -0.146 11.713 9.870 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.324 11.177 12.159 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.028 12.292 12.216 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.085 9.405 13.041 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.713 10.749 13.833 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.061 8.937 12.267 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.609 10.587 12.487 1.00 0.00 H new ATOM 410 N ASP A 35 0.854 8.632 10.394 1.00 0.00 N ATOM 411 CA ASP A 35 1.797 7.627 9.886 1.00 0.00 C ATOM 412 C ASP A 35 1.658 7.459 8.372 1.00 0.00 C ATOM 413 O ASP A 35 2.628 7.144 7.682 1.00 0.00 O ATOM 414 CB ASP A 35 1.609 6.267 10.583 1.00 0.00 C ATOM 415 CG ASP A 35 0.153 5.890 10.802 1.00 0.00 C ATOM 416 OD1 ASP A 35 -0.654 6.045 9.866 1.00 0.00 O ATOM 417 OD2 ASP A 35 -0.177 5.432 11.914 1.00 0.00 O ATOM 0 H ASP A 35 0.178 8.276 11.069 1.00 0.00 H new ATOM 0 HA ASP A 35 2.800 7.989 10.110 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.090 5.493 9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.119 6.289 11.546 1.00 0.00 H new ATOM 422 N CYS A 36 0.448 7.683 7.860 1.00 0.00 N ATOM 423 CA CYS A 36 0.191 7.568 6.428 1.00 0.00 C ATOM 424 C CYS A 36 0.827 8.728 5.666 1.00 0.00 C ATOM 425 O CYS A 36 1.298 8.557 4.542 1.00 0.00 O ATOM 426 CB CYS A 36 -1.314 7.524 6.162 1.00 0.00 C ATOM 427 SG CYS A 36 -2.177 6.187 7.022 1.00 0.00 S ATOM 0 H CYS A 36 -0.367 7.944 8.415 1.00 0.00 H new ATOM 0 HA CYS A 36 0.640 6.640 6.075 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.753 8.476 6.460 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.480 7.418 5.090 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.640 6.006 8.192 1.00 0.00 H new ATOM 433 N VAL A 37 0.844 9.911 6.286 1.00 0.00 N ATOM 434 CA VAL A 37 1.428 11.099 5.666 1.00 0.00 C ATOM 435 C VAL A 37 2.902 10.876 5.309 1.00 0.00 C ATOM 436 O VAL A 37 3.383 11.388 4.300 1.00 0.00 O ATOM 437 CB VAL A 37 1.313 12.340 6.579 1.00 0.00 C ATOM 438 CG1 VAL A 37 1.727 13.594 5.824 1.00 0.00 C ATOM 439 CG2 VAL A 37 -0.102 12.485 7.128 1.00 0.00 C ATOM 0 H VAL A 37 0.459 10.070 7.217 1.00 0.00 H new ATOM 0 HA VAL A 37 0.859 11.280 4.754 1.00 0.00 H new ATOM 0 HB VAL A 37 1.988 12.205 7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.640 14.459 6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.760 13.494 5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.078 13.729 4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.156 13.366 7.767 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.804 12.593 6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.360 11.599 7.709 1.00 0.00 H new ATOM 449 N TYR A 38 3.615 10.108 6.140 1.00 0.00 N ATOM 450 CA TYR A 38 5.030 9.821 5.897 1.00 0.00 C ATOM 451 C TYR A 38 5.219 9.028 4.604 1.00 0.00 C ATOM 452 O TYR A 38 5.984 9.434 3.727 1.00 0.00 O ATOM 453 CB TYR A 38 5.633 9.045 7.075 1.00 0.00 C ATOM 454 CG TYR A 38 7.114 8.761 6.924 1.00 0.00 C ATOM 455 CD1 TYR A 38 8.065 9.667 7.378 1.00 0.00 C ATOM 456 CD2 TYR A 38 7.560 7.586 6.329 1.00 0.00 C ATOM 457 CE1 TYR A 38 9.414 9.412 7.247 1.00 0.00 C ATOM 458 CE2 TYR A 38 8.911 7.323 6.193 1.00 0.00 C ATOM 459 CZ TYR A 38 9.833 8.238 6.654 1.00 0.00 C ATOM 460 OH TYR A 38 11.178 7.980 6.524 1.00 0.00 O ATOM 0 H TYR A 38 3.236 9.676 6.983 1.00 0.00 H new ATOM 0 HA TYR A 38 5.548 10.775 5.796 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.473 9.612 7.992 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.101 8.100 7.187 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.742 10.587 7.842 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.840 6.867 5.967 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.139 10.127 7.607 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.242 6.406 5.728 1.00 0.00 H new ATOM 0 HH TYR A 38 11.666 8.409 7.257 1.00 0.00 H new ATOM 470 N ALA A 39 4.521 7.895 4.494 1.00 0.00 N ATOM 471 CA ALA A 39 4.613 7.043 3.305 1.00 0.00 C ATOM 472 C ALA A 39 4.248 7.811 2.033 1.00 0.00 C ATOM 473 O ALA A 39 4.858 7.605 0.982 1.00 0.00 O ATOM 474 CB ALA A 39 3.724 5.815 3.456 1.00 0.00 C ATOM 0 H ALA A 39 3.887 7.546 5.213 1.00 0.00 H new ATOM 0 HA ALA A 39 5.649 6.718 3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.806 5.195 2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.041 5.241 4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.688 6.129 3.586 1.00 0.00 H new ATOM 480 N ASN A 40 3.260 8.700 2.135 1.00 0.00 N ATOM 481 CA ASN A 40 2.826 9.501 0.996 1.00 0.00 C ATOM 482 C ASN A 40 3.830 10.612 0.702 1.00 0.00 C ATOM 483 O ASN A 40 4.010 11.005 -0.450 1.00 0.00 O ATOM 484 CB ASN A 40 1.442 10.099 1.256 1.00 0.00 C ATOM 485 CG ASN A 40 0.349 9.378 0.492 1.00 0.00 C ATOM 486 OD1 ASN A 40 -0.135 8.329 0.921 1.00 0.00 O ATOM 487 ND2 ASN A 40 -0.045 9.934 -0.648 1.00 0.00 N ATOM 0 H ASN A 40 2.746 8.882 2.997 1.00 0.00 H new ATOM 0 HA ASN A 40 2.768 8.847 0.126 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.225 10.056 2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.445 11.152 0.974 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.776 9.491 -1.205 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.383 10.804 -0.966 1.00 0.00 H new ATOM 494 N SER A 41 4.478 11.111 1.754 1.00 0.00 N ATOM 495 CA SER A 41 5.464 12.176 1.617 1.00 0.00 C ATOM 496 C SER A 41 6.656 11.713 0.783 1.00 0.00 C ATOM 497 O SER A 41 7.127 12.437 -0.097 1.00 0.00 O ATOM 498 CB SER A 41 5.937 12.648 2.996 1.00 0.00 C ATOM 499 OG SER A 41 5.155 13.735 3.460 1.00 0.00 O ATOM 0 H SER A 41 4.335 10.792 2.712 1.00 0.00 H new ATOM 0 HA SER A 41 4.989 13.011 1.102 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.877 11.823 3.706 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.984 12.946 2.942 1.00 0.00 H new ATOM 0 HG SER A 41 4.337 13.394 3.878 1.00 0.00 H new ATOM 505 N ILE A 42 7.142 10.503 1.060 1.00 0.00 N ATOM 506 CA ILE A 42 8.279 9.947 0.330 1.00 0.00 C ATOM 507 C ILE A 42 7.940 9.752 -1.148 1.00 0.00 C ATOM 508 O ILE A 42 8.742 10.081 -2.026 1.00 0.00 O ATOM 509 CB ILE A 42 8.743 8.599 0.927 1.00 0.00 C ATOM 510 CG1 ILE A 42 8.964 8.724 2.439 1.00 0.00 C ATOM 511 CG2 ILE A 42 10.017 8.126 0.240 1.00 0.00 C ATOM 512 CD1 ILE A 42 10.049 9.710 2.821 1.00 0.00 C ATOM 0 H ILE A 42 6.766 9.891 1.784 1.00 0.00 H new ATOM 0 HA ILE A 42 9.092 10.667 0.424 1.00 0.00 H new ATOM 0 HB ILE A 42 7.961 7.860 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.029 9.028 2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.219 7.744 2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.332 7.176 0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.829 7.996 -0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.804 8.867 0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.146 9.742 3.906 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.996 9.397 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.787 10.701 2.450 1.00 0.00 H new ATOM 524 N TRP A 43 6.748 9.219 -1.416 1.00 0.00 N ATOM 525 CA TRP A 43 6.303 8.984 -2.789 1.00 0.00 C ATOM 526 C TRP A 43 6.090 10.302 -3.538 1.00 0.00 C ATOM 527 O TRP A 43 6.339 10.382 -4.742 1.00 0.00 O ATOM 528 CB TRP A 43 5.016 8.153 -2.799 1.00 0.00 C ATOM 529 CG TRP A 43 5.238 6.699 -3.109 1.00 0.00 C ATOM 530 CD1 TRP A 43 4.361 5.850 -3.723 1.00 0.00 C ATOM 531 CD2 TRP A 43 6.410 5.921 -2.821 1.00 0.00 C ATOM 532 NE1 TRP A 43 4.914 4.598 -3.833 1.00 0.00 N ATOM 533 CE2 TRP A 43 6.170 4.615 -3.288 1.00 0.00 C ATOM 534 CE3 TRP A 43 7.640 6.200 -2.213 1.00 0.00 C ATOM 535 CZ2 TRP A 43 7.110 3.595 -3.168 1.00 0.00 C ATOM 536 CZ3 TRP A 43 8.572 5.186 -2.095 1.00 0.00 C ATOM 537 CH2 TRP A 43 8.302 3.898 -2.571 1.00 0.00 C ATOM 0 H TRP A 43 6.074 8.942 -0.702 1.00 0.00 H new ATOM 0 HA TRP A 43 7.087 8.428 -3.303 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.531 8.238 -1.826 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.329 8.572 -3.535 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.376 6.124 -4.071 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.462 3.786 -4.253 1.00 0.00 H new ATOM 0 HE3 TRP A 43 7.857 7.191 -1.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.905 2.600 -3.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 9.524 5.391 -1.628 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.051 3.127 -2.465 1.00 0.00 H new ATOM 548 N ASN A 44 5.636 11.334 -2.822 1.00 0.00 N ATOM 549 CA ASN A 44 5.400 12.645 -3.426 1.00 0.00 C ATOM 550 C ASN A 44 6.721 13.341 -3.773 1.00 0.00 C ATOM 551 O ASN A 44 6.775 14.147 -4.705 1.00 0.00 O ATOM 552 CB ASN A 44 4.578 13.536 -2.486 1.00 0.00 C ATOM 553 CG ASN A 44 3.276 14.002 -3.113 1.00 0.00 C ATOM 554 OD1 ASN A 44 2.193 13.724 -2.599 1.00 0.00 O ATOM 555 ND2 ASN A 44 3.373 14.720 -4.227 1.00 0.00 N ATOM 0 H ASN A 44 5.425 11.286 -1.825 1.00 0.00 H new ATOM 0 HA ASN A 44 4.839 12.485 -4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.360 12.987 -1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.172 14.405 -2.203 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.530 15.062 -4.688 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.290 14.929 -4.621 1.00 0.00 H new ATOM 562 N LYS A 45 7.780 13.023 -3.026 1.00 0.00 N ATOM 563 CA LYS A 45 9.094 13.617 -3.261 1.00 0.00 C ATOM 564 C LYS A 45 9.810 12.917 -4.415 1.00 0.00 C ATOM 565 O LYS A 45 10.575 13.543 -5.150 1.00 0.00 O ATOM 566 CB LYS A 45 9.952 13.538 -1.993 1.00 0.00 C ATOM 567 CG LYS A 45 10.874 14.735 -1.800 1.00 0.00 C ATOM 568 CD LYS A 45 11.510 14.744 -0.416 1.00 0.00 C ATOM 569 CE LYS A 45 12.574 13.663 -0.274 1.00 0.00 C ATOM 570 NZ LYS A 45 13.749 14.134 0.516 1.00 0.00 N ATOM 0 H LYS A 45 7.752 12.357 -2.254 1.00 0.00 H new ATOM 0 HA LYS A 45 8.947 14.664 -3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.296 13.453 -1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.553 12.630 -2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.656 14.717 -2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.309 15.656 -1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.957 15.720 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.738 14.596 0.339 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.139 12.788 0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.905 13.348 -1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.448 13.368 0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.180 14.953 0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.438 14.410 1.469 1.00 0.00 H new ATOM 584 N LEU A 46 9.562 11.617 -4.568 1.00 0.00 N ATOM 585 CA LEU A 46 10.189 10.838 -5.633 1.00 0.00 C ATOM 586 C LEU A 46 9.460 10.999 -6.972 1.00 0.00 C ATOM 587 O LEU A 46 9.944 10.520 -8.001 1.00 0.00 O ATOM 588 CB LEU A 46 10.242 9.357 -5.247 1.00 0.00 C ATOM 589 CG LEU A 46 11.418 8.959 -4.349 1.00 0.00 C ATOM 590 CD1 LEU A 46 11.249 7.530 -3.856 1.00 0.00 C ATOM 591 CD2 LEU A 46 12.736 9.118 -5.094 1.00 0.00 C ATOM 0 H LEU A 46 8.933 11.083 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 46 11.202 11.221 -5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.313 9.097 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.284 8.761 -6.159 1.00 0.00 H new ATOM 0 HG LEU A 46 11.433 9.622 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.092 7.263 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.324 7.449 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.209 6.853 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.560 8.831 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.734 8.480 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.859 10.158 -5.398 1.00 0.00 H new ATOM 603 N ASN A 47 8.301 11.669 -6.960 1.00 0.00 N ATOM 604 CA ASN A 47 7.518 11.884 -8.173 1.00 0.00 C ATOM 605 C ASN A 47 7.256 10.563 -8.901 1.00 0.00 C ATOM 606 O ASN A 47 7.479 10.446 -10.107 1.00 0.00 O ATOM 607 CB ASN A 47 8.241 12.869 -9.095 1.00 0.00 C ATOM 608 CG ASN A 47 7.396 13.305 -10.279 1.00 0.00 C ATOM 609 OD1 ASN A 47 6.185 13.075 -10.312 1.00 0.00 O ATOM 610 ND2 ASN A 47 8.029 13.938 -11.262 1.00 0.00 N ATOM 0 H ASN A 47 7.888 12.071 -6.119 1.00 0.00 H new ATOM 0 HA ASN A 47 6.554 12.306 -7.889 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.533 13.748 -8.521 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.159 12.409 -9.461 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.511 14.253 -12.082 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.032 14.109 -11.196 1.00 0.00 H new ATOM 617 N VAL A 48 6.779 9.567 -8.155 1.00 0.00 N ATOM 618 CA VAL A 48 6.483 8.253 -8.725 1.00 0.00 C ATOM 619 C VAL A 48 5.018 7.860 -8.489 1.00 0.00 C ATOM 620 O VAL A 48 4.684 6.674 -8.444 1.00 0.00 O ATOM 621 CB VAL A 48 7.407 7.163 -8.133 1.00 0.00 C ATOM 622 CG1 VAL A 48 8.831 7.324 -8.653 1.00 0.00 C ATOM 623 CG2 VAL A 48 7.380 7.201 -6.609 1.00 0.00 C ATOM 0 H VAL A 48 6.589 9.645 -7.156 1.00 0.00 H new ATOM 0 HA VAL A 48 6.662 8.325 -9.798 1.00 0.00 H new ATOM 0 HB VAL A 48 7.035 6.190 -8.454 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.465 6.548 -8.225 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.834 7.236 -9.739 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.214 8.304 -8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.037 6.426 -6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.721 8.177 -6.263 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.363 7.027 -6.259 1.00 0.00 H new ATOM 633 N GLN A 49 4.147 8.866 -8.340 1.00 0.00 N ATOM 634 CA GLN A 49 2.719 8.633 -8.107 1.00 0.00 C ATOM 635 C GLN A 49 2.033 8.036 -9.340 1.00 0.00 C ATOM 636 O GLN A 49 1.027 7.337 -9.215 1.00 0.00 O ATOM 637 CB GLN A 49 2.027 9.938 -7.700 1.00 0.00 C ATOM 638 CG GLN A 49 0.621 9.743 -7.144 1.00 0.00 C ATOM 639 CD GLN A 49 0.579 9.773 -5.627 1.00 0.00 C ATOM 640 OE1 GLN A 49 0.373 8.746 -4.981 1.00 0.00 O ATOM 641 NE2 GLN A 49 0.773 10.955 -5.048 1.00 0.00 N ATOM 0 H GLN A 49 4.409 9.851 -8.377 1.00 0.00 H new ATOM 0 HA GLN A 49 2.632 7.911 -7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.637 10.443 -6.951 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.976 10.597 -8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.031 10.523 -7.536 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.225 8.790 -7.495 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.941 11.782 -5.621 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.754 11.034 -4.031 1.00 0.00 H new ATOM 650 N ASP A 50 2.579 8.309 -10.528 1.00 0.00 N ATOM 651 CA ASP A 50 2.013 7.784 -11.772 1.00 0.00 C ATOM 652 C ASP A 50 2.462 6.341 -12.010 1.00 0.00 C ATOM 653 O ASP A 50 1.729 5.543 -12.593 1.00 0.00 O ATOM 654 CB ASP A 50 2.419 8.656 -12.966 1.00 0.00 C ATOM 655 CG ASP A 50 1.954 10.094 -12.830 1.00 0.00 C ATOM 656 OD1 ASP A 50 0.784 10.310 -12.448 1.00 0.00 O ATOM 657 OD2 ASP A 50 2.762 11.005 -13.109 1.00 0.00 O ATOM 0 H ASP A 50 3.409 8.888 -10.654 1.00 0.00 H new ATOM 0 HA ASP A 50 0.927 7.802 -11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.504 8.638 -13.071 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.004 8.230 -13.879 1.00 0.00 H new ATOM 662 N LYS A 51 3.675 6.012 -11.555 1.00 0.00 N ATOM 663 CA LYS A 51 4.219 4.665 -11.721 1.00 0.00 C ATOM 664 C LYS A 51 3.577 3.679 -10.733 1.00 0.00 C ATOM 665 O LYS A 51 3.472 2.486 -11.024 1.00 0.00 O ATOM 666 CB LYS A 51 5.742 4.679 -11.536 1.00 0.00 C ATOM 667 CG LYS A 51 6.459 5.679 -12.435 1.00 0.00 C ATOM 668 CD LYS A 51 7.882 5.236 -12.743 1.00 0.00 C ATOM 669 CE LYS A 51 8.865 6.395 -12.659 1.00 0.00 C ATOM 670 NZ LYS A 51 10.274 5.944 -12.831 1.00 0.00 N ATOM 0 H LYS A 51 4.296 6.660 -11.070 1.00 0.00 H new ATOM 0 HA LYS A 51 3.985 4.332 -12.732 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.971 4.910 -10.496 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.132 3.681 -11.734 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.904 5.795 -13.366 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.478 6.656 -11.951 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.179 4.456 -12.043 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.919 4.800 -13.741 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.624 7.131 -13.426 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.758 6.892 -11.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.896 6.508 -12.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.351 4.940 -12.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.560 6.069 -13.823 1.00 0.00 H new ATOM 684 N VAL A 52 3.148 4.186 -9.574 1.00 0.00 N ATOM 685 CA VAL A 52 2.515 3.356 -8.549 1.00 0.00 C ATOM 686 C VAL A 52 1.036 3.722 -8.389 1.00 0.00 C ATOM 687 O VAL A 52 0.616 4.806 -8.791 1.00 0.00 O ATOM 688 CB VAL A 52 3.236 3.517 -7.189 1.00 0.00 C ATOM 689 CG1 VAL A 52 3.083 4.939 -6.660 1.00 0.00 C ATOM 690 CG2 VAL A 52 2.723 2.506 -6.173 1.00 0.00 C ATOM 0 H VAL A 52 3.229 5.171 -9.323 1.00 0.00 H new ATOM 0 HA VAL A 52 2.591 2.318 -8.871 1.00 0.00 H new ATOM 0 HB VAL A 52 4.297 3.324 -7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.598 5.029 -5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.516 5.641 -7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.025 5.165 -6.526 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.247 2.643 -5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.654 2.654 -6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.900 1.496 -6.543 1.00 0.00 H new ATOM 700 N PHE A 53 0.255 2.827 -7.783 1.00 0.00 N ATOM 701 CA PHE A 53 -1.158 3.086 -7.561 1.00 0.00 C ATOM 702 C PHE A 53 -1.468 3.039 -6.071 1.00 0.00 C ATOM 703 O PHE A 53 -1.416 1.983 -5.438 1.00 0.00 O ATOM 704 CB PHE A 53 -2.021 2.068 -8.316 1.00 0.00 C ATOM 705 CG PHE A 53 -3.288 2.649 -8.885 1.00 0.00 C ATOM 706 CD1 PHE A 53 -3.251 3.764 -9.711 1.00 0.00 C ATOM 707 CD2 PHE A 53 -4.517 2.076 -8.598 1.00 0.00 C ATOM 708 CE1 PHE A 53 -4.416 4.293 -10.238 1.00 0.00 C ATOM 709 CE2 PHE A 53 -5.683 2.602 -9.120 1.00 0.00 C ATOM 710 CZ PHE A 53 -5.633 3.711 -9.942 1.00 0.00 C ATOM 0 H PHE A 53 0.580 1.923 -7.441 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.392 4.080 -7.941 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.433 1.638 -9.127 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.278 1.252 -7.641 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.302 4.224 -9.945 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.564 1.207 -7.958 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.374 5.160 -10.880 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.634 2.146 -8.885 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.544 4.122 -10.352 1.00 0.00 H new ATOM 720 N VAL A 54 -1.785 4.203 -5.522 1.00 0.00 N ATOM 721 CA VAL A 54 -2.107 4.331 -4.102 1.00 0.00 C ATOM 722 C VAL A 54 -3.600 4.582 -3.900 1.00 0.00 C ATOM 723 O VAL A 54 -4.204 5.395 -4.601 1.00 0.00 O ATOM 724 CB VAL A 54 -1.309 5.479 -3.444 1.00 0.00 C ATOM 725 CG1 VAL A 54 -1.532 5.503 -1.936 1.00 0.00 C ATOM 726 CG2 VAL A 54 0.177 5.362 -3.766 1.00 0.00 C ATOM 0 H VAL A 54 -1.827 5.080 -6.041 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.830 3.390 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.674 6.420 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.960 6.320 -1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.592 5.649 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.204 4.557 -1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.718 6.181 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.557 4.412 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.320 5.410 -4.846 1.00 0.00 H new ATOM 736 N PHE A 55 -4.185 3.877 -2.932 1.00 0.00 N ATOM 737 CA PHE A 55 -5.605 4.018 -2.628 1.00 0.00 C ATOM 738 C PHE A 55 -5.807 4.728 -1.293 1.00 0.00 C ATOM 739 O PHE A 55 -5.464 4.194 -0.236 1.00 0.00 O ATOM 740 CB PHE A 55 -6.282 2.645 -2.595 1.00 0.00 C ATOM 741 CG PHE A 55 -7.622 2.620 -3.278 1.00 0.00 C ATOM 742 CD1 PHE A 55 -7.721 2.322 -4.627 1.00 0.00 C ATOM 743 CD2 PHE A 55 -8.781 2.887 -2.567 1.00 0.00 C ATOM 744 CE1 PHE A 55 -8.951 2.293 -5.256 1.00 0.00 C ATOM 745 CE2 PHE A 55 -10.014 2.859 -3.190 1.00 0.00 C ATOM 746 CZ PHE A 55 -10.099 2.561 -4.536 1.00 0.00 C ATOM 0 H PHE A 55 -3.695 3.202 -2.345 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.060 4.621 -3.414 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.627 1.914 -3.070 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.406 2.335 -1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.827 2.110 -5.194 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.720 3.120 -1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.015 2.061 -6.309 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.910 3.070 -2.625 1.00 0.00 H new ATOM 0 HZ PHE A 55 -11.062 2.538 -5.025 1.00 0.00 H new ATOM 756 N ASP A 56 -6.373 5.933 -1.350 1.00 0.00 N ATOM 757 CA ASP A 56 -6.630 6.717 -0.146 1.00 0.00 C ATOM 758 C ASP A 56 -7.934 6.287 0.516 1.00 0.00 C ATOM 759 O ASP A 56 -8.898 5.924 -0.162 1.00 0.00 O ATOM 760 CB ASP A 56 -6.690 8.214 -0.470 1.00 0.00 C ATOM 761 CG ASP A 56 -7.761 8.551 -1.490 1.00 0.00 C ATOM 762 OD1 ASP A 56 -7.460 8.518 -2.701 1.00 0.00 O ATOM 763 OD2 ASP A 56 -8.904 8.842 -1.077 1.00 0.00 O ATOM 0 H ASP A 56 -6.662 6.386 -2.217 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.806 6.537 0.544 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.879 8.772 0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.720 8.539 -0.847 1.00 0.00 H new ATOM 768 N ILE A 57 -7.956 6.331 1.845 1.00 0.00 N ATOM 769 CA ILE A 57 -9.138 5.949 2.607 1.00 0.00 C ATOM 770 C ILE A 57 -9.744 7.159 3.313 1.00 0.00 C ATOM 771 O ILE A 57 -9.554 7.353 4.516 1.00 0.00 O ATOM 772 CB ILE A 57 -8.806 4.851 3.639 1.00 0.00 C ATOM 773 CG1 ILE A 57 -8.069 3.693 2.958 1.00 0.00 C ATOM 774 CG2 ILE A 57 -10.073 4.354 4.325 1.00 0.00 C ATOM 775 CD1 ILE A 57 -8.893 2.984 1.905 1.00 0.00 C ATOM 0 H ILE A 57 -7.166 6.629 2.417 1.00 0.00 H new ATOM 0 HA ILE A 57 -9.867 5.551 1.902 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.155 5.277 4.402 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.158 4.074 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.765 2.971 3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.816 3.580 5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.558 5.184 4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.753 3.942 3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.306 2.177 1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.792 2.572 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.175 3.692 1.126 1.00 0.00 H new ATOM 787 N GLY A 58 -10.474 7.973 2.551 1.00 0.00 N ATOM 788 CA GLY A 58 -11.098 9.161 3.110 1.00 0.00 C ATOM 789 C GLY A 58 -12.601 9.194 2.893 1.00 0.00 C ATOM 790 O GLY A 58 -13.355 9.523 3.808 1.00 0.00 O ATOM 0 H GLY A 58 -10.644 7.830 1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.889 9.207 4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.651 10.047 2.659 1.00 0.00 H new ATOM 794 N SER A 59 -13.036 8.850 1.680 1.00 0.00 N ATOM 795 CA SER A 59 -14.458 8.837 1.342 1.00 0.00 C ATOM 796 C SER A 59 -15.053 7.431 1.502 1.00 0.00 C ATOM 797 O SER A 59 -15.898 7.008 0.710 1.00 0.00 O ATOM 798 CB SER A 59 -14.661 9.343 -0.092 1.00 0.00 C ATOM 799 OG SER A 59 -15.974 9.841 -0.278 1.00 0.00 O ATOM 0 H SER A 59 -12.421 8.576 0.914 1.00 0.00 H new ATOM 0 HA SER A 59 -14.979 9.501 2.032 1.00 0.00 H new ATOM 0 HB2 SER A 59 -13.937 10.128 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.473 8.533 -0.796 1.00 0.00 H new ATOM 0 HG SER A 59 -16.624 9.163 0.002 1.00 0.00 H new ATOM 805 N LEU A 60 -14.606 6.712 2.535 1.00 0.00 N ATOM 806 CA LEU A 60 -15.091 5.357 2.803 1.00 0.00 C ATOM 807 C LEU A 60 -15.742 5.280 4.183 1.00 0.00 C ATOM 808 O LEU A 60 -15.048 5.277 5.201 1.00 0.00 O ATOM 809 CB LEU A 60 -13.939 4.352 2.707 1.00 0.00 C ATOM 810 CG LEU A 60 -13.311 4.210 1.316 1.00 0.00 C ATOM 811 CD1 LEU A 60 -12.230 5.262 1.099 1.00 0.00 C ATOM 812 CD2 LEU A 60 -12.740 2.812 1.130 1.00 0.00 C ATOM 0 H LEU A 60 -13.908 7.047 3.200 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.841 5.107 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -13.161 4.647 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -14.303 3.375 3.025 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.092 4.367 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.799 5.141 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.667 6.257 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.449 5.142 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.298 2.729 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.975 2.628 1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.537 2.076 1.235 1.00 0.00 H new ATOM 824 N PRO A 61 -17.091 5.221 4.232 1.00 0.00 N ATOM 825 CA PRO A 61 -17.846 5.147 5.494 1.00 0.00 C ATOM 826 C PRO A 61 -17.387 3.995 6.389 1.00 0.00 C ATOM 827 O PRO A 61 -16.701 3.083 5.930 1.00 0.00 O ATOM 828 CB PRO A 61 -19.290 4.920 5.034 1.00 0.00 C ATOM 829 CG PRO A 61 -19.345 5.465 3.649 1.00 0.00 C ATOM 830 CD PRO A 61 -17.986 5.226 3.056 1.00 0.00 C ATOM 0 HA PRO A 61 -17.710 6.045 6.097 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -19.548 3.861 5.052 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -19.997 5.431 5.687 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -20.119 4.967 3.064 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -19.586 6.528 3.657 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -17.945 4.280 2.516 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -17.714 6.009 2.348 1.00 0.00 H new ATOM 838 N ARG A 62 -17.775 4.047 7.668 1.00 0.00 N ATOM 839 CA ARG A 62 -17.406 3.009 8.641 1.00 0.00 C ATOM 840 C ARG A 62 -17.621 1.604 8.073 1.00 0.00 C ATOM 841 O ARG A 62 -16.841 0.692 8.349 1.00 0.00 O ATOM 842 CB ARG A 62 -18.195 3.176 9.948 1.00 0.00 C ATOM 843 CG ARG A 62 -19.680 3.456 9.756 1.00 0.00 C ATOM 844 CD ARG A 62 -20.543 2.489 10.554 1.00 0.00 C ATOM 845 NE ARG A 62 -21.601 1.893 9.738 1.00 0.00 N ATOM 846 CZ ARG A 62 -22.633 2.579 9.235 1.00 0.00 C ATOM 847 NH1 ARG A 62 -22.753 3.884 9.462 1.00 0.00 N ATOM 848 NH2 ARG A 62 -23.547 1.953 8.502 1.00 0.00 N ATOM 0 H ARG A 62 -18.346 4.798 8.056 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.344 3.130 8.855 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.083 2.270 10.544 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.755 3.992 10.522 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -19.900 4.478 10.063 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -19.931 3.380 8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -19.915 1.699 10.966 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -20.989 3.014 11.398 1.00 0.00 H new ATOM 0 HE ARG A 62 -21.548 0.894 9.541 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -22.054 4.370 10.024 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -23.544 4.399 9.074 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -23.460 0.952 8.324 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -24.335 2.473 8.117 1.00 0.00 H new ATOM 862 N ASN A 63 -18.676 1.436 7.274 1.00 0.00 N ATOM 863 CA ASN A 63 -18.979 0.145 6.664 1.00 0.00 C ATOM 864 C ASN A 63 -18.024 -0.152 5.505 1.00 0.00 C ATOM 865 O ASN A 63 -17.441 -1.234 5.437 1.00 0.00 O ATOM 866 CB ASN A 63 -20.430 0.114 6.176 1.00 0.00 C ATOM 867 CG ASN A 63 -20.869 -1.271 5.738 1.00 0.00 C ATOM 868 OD1 ASN A 63 -21.290 -1.470 4.599 1.00 0.00 O ATOM 869 ND2 ASN A 63 -20.774 -2.239 6.643 1.00 0.00 N ATOM 0 H ASN A 63 -19.333 2.179 7.036 1.00 0.00 H new ATOM 0 HA ASN A 63 -18.845 -0.627 7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -21.085 0.463 6.974 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -20.544 0.808 5.343 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -21.056 -3.190 6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -20.419 -2.031 7.577 1.00 0.00 H new ATOM 876 N GLU A 64 -17.867 0.818 4.599 1.00 0.00 N ATOM 877 CA GLU A 64 -16.980 0.657 3.444 1.00 0.00 C ATOM 878 C GLU A 64 -15.526 0.482 3.883 1.00 0.00 C ATOM 879 O GLU A 64 -14.775 -0.279 3.271 1.00 0.00 O ATOM 880 CB GLU A 64 -17.103 1.864 2.504 1.00 0.00 C ATOM 881 CG GLU A 64 -16.407 1.669 1.164 1.00 0.00 C ATOM 882 CD GLU A 64 -17.222 0.830 0.199 1.00 0.00 C ATOM 883 OE1 GLU A 64 -17.235 -0.409 0.355 1.00 0.00 O ATOM 884 OE2 GLU A 64 -17.847 1.413 -0.713 1.00 0.00 O ATOM 0 H GLU A 64 -18.341 1.720 4.643 1.00 0.00 H new ATOM 0 HA GLU A 64 -17.286 -0.243 2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -18.159 2.071 2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.684 2.741 2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.210 2.643 0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.440 1.192 1.327 1.00 0.00 H new ATOM 891 N GLN A 65 -15.136 1.187 4.945 1.00 0.00 N ATOM 892 CA GLN A 65 -13.771 1.105 5.464 1.00 0.00 C ATOM 893 C GLN A 65 -13.430 -0.323 5.884 1.00 0.00 C ATOM 894 O GLN A 65 -12.378 -0.850 5.521 1.00 0.00 O ATOM 895 CB GLN A 65 -13.585 2.058 6.649 1.00 0.00 C ATOM 896 CG GLN A 65 -12.668 3.233 6.345 1.00 0.00 C ATOM 897 CD GLN A 65 -12.099 3.869 7.600 1.00 0.00 C ATOM 898 OE1 GLN A 65 -11.207 3.317 8.241 1.00 0.00 O ATOM 899 NE2 GLN A 65 -12.617 5.041 7.955 1.00 0.00 N ATOM 0 H GLN A 65 -15.745 1.821 5.462 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.092 1.401 4.664 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -14.559 2.438 6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.180 1.500 7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -11.849 2.895 5.710 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.221 3.984 5.780 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.356 5.463 7.393 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.275 5.518 8.789 1.00 0.00 H new ATOM 908 N GLU A 66 -14.326 -0.945 6.644 1.00 0.00 N ATOM 909 CA GLU A 66 -14.117 -2.314 7.107 1.00 0.00 C ATOM 910 C GLU A 66 -14.199 -3.306 5.944 1.00 0.00 C ATOM 911 O GLU A 66 -13.563 -4.360 5.977 1.00 0.00 O ATOM 912 CB GLU A 66 -15.146 -2.681 8.181 1.00 0.00 C ATOM 913 CG GLU A 66 -15.208 -1.690 9.336 1.00 0.00 C ATOM 914 CD GLU A 66 -14.478 -2.184 10.569 1.00 0.00 C ATOM 915 OE1 GLU A 66 -15.099 -2.904 11.379 1.00 0.00 O ATOM 916 OE2 GLU A 66 -13.283 -1.855 10.722 1.00 0.00 O ATOM 0 H GLU A 66 -15.203 -0.524 6.952 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.118 -2.371 7.539 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.131 -2.749 7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.910 -3.670 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.776 -0.741 9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.251 -1.497 9.589 1.00 0.00 H new ATOM 923 N LYS A 67 -14.985 -2.964 4.919 1.00 0.00 N ATOM 924 CA LYS A 67 -15.147 -3.832 3.752 1.00 0.00 C ATOM 925 C LYS A 67 -13.796 -4.169 3.121 1.00 0.00 C ATOM 926 O LYS A 67 -13.472 -5.342 2.936 1.00 0.00 O ATOM 927 CB LYS A 67 -16.062 -3.176 2.713 1.00 0.00 C ATOM 928 CG LYS A 67 -17.531 -3.152 3.116 1.00 0.00 C ATOM 929 CD LYS A 67 -18.363 -4.099 2.267 1.00 0.00 C ATOM 930 CE LYS A 67 -18.122 -5.553 2.648 1.00 0.00 C ATOM 931 NZ LYS A 67 -17.950 -6.420 1.450 1.00 0.00 N ATOM 0 H LYS A 67 -15.517 -2.095 4.875 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.607 -4.760 4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -15.726 -2.154 2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -15.963 -3.709 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -17.625 -3.428 4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -17.919 -2.138 3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.420 -3.862 2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.120 -3.953 1.214 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.234 -5.621 3.276 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.961 -5.916 3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.534 -7.275 1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.246 -5.900 0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.950 -6.692 1.359 1.00 0.00 H new ATOM 945 N TRP A 68 -13.008 -3.140 2.803 1.00 0.00 N ATOM 946 CA TRP A 68 -11.694 -3.354 2.201 1.00 0.00 C ATOM 947 C TRP A 68 -10.700 -3.869 3.241 1.00 0.00 C ATOM 948 O TRP A 68 -9.797 -4.643 2.916 1.00 0.00 O ATOM 949 CB TRP A 68 -11.166 -2.068 1.544 1.00 0.00 C ATOM 950 CG TRP A 68 -10.850 -0.959 2.508 1.00 0.00 C ATOM 951 CD1 TRP A 68 -11.604 0.151 2.758 1.00 0.00 C ATOM 952 CD2 TRP A 68 -9.686 -0.844 3.339 1.00 0.00 C ATOM 953 NE1 TRP A 68 -10.985 0.945 3.693 1.00 0.00 N ATOM 954 CE2 TRP A 68 -9.808 0.353 4.067 1.00 0.00 C ATOM 955 CE3 TRP A 68 -8.555 -1.642 3.541 1.00 0.00 C ATOM 956 CZ2 TRP A 68 -8.843 0.774 4.978 1.00 0.00 C ATOM 957 CZ3 TRP A 68 -7.598 -1.222 4.448 1.00 0.00 C ATOM 958 CH2 TRP A 68 -7.748 -0.025 5.156 1.00 0.00 C ATOM 0 H TRP A 68 -13.254 -2.161 2.951 1.00 0.00 H new ATOM 0 HA TRP A 68 -11.805 -4.109 1.423 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -10.266 -2.308 0.978 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -11.907 -1.710 0.829 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -12.551 0.373 2.288 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -11.343 1.831 4.050 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -8.431 -2.568 2.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -8.955 1.699 5.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -6.720 -1.829 4.612 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -6.983 0.274 5.858 1.00 0.00 H new ATOM 969 N ARG A 69 -10.873 -3.438 4.492 1.00 0.00 N ATOM 970 CA ARG A 69 -9.993 -3.857 5.581 1.00 0.00 C ATOM 971 C ARG A 69 -9.972 -5.378 5.720 1.00 0.00 C ATOM 972 O ARG A 69 -8.903 -5.985 5.777 1.00 0.00 O ATOM 973 CB ARG A 69 -10.432 -3.215 6.901 1.00 0.00 C ATOM 974 CG ARG A 69 -9.360 -2.355 7.550 1.00 0.00 C ATOM 975 CD ARG A 69 -9.400 -2.468 9.065 1.00 0.00 C ATOM 976 NE ARG A 69 -8.171 -1.974 9.686 1.00 0.00 N ATOM 977 CZ ARG A 69 -7.895 -0.680 9.869 1.00 0.00 C ATOM 978 NH1 ARG A 69 -8.753 0.259 9.475 1.00 0.00 N ATOM 979 NH2 ARG A 69 -6.755 -0.326 10.451 1.00 0.00 N ATOM 0 H ARG A 69 -11.616 -2.798 4.775 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.984 -3.522 5.342 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.316 -2.603 6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.725 -4.001 7.597 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.378 -2.659 7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.500 -1.314 7.257 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.251 -1.905 9.448 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.555 -3.510 9.347 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.483 -2.659 9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.631 -0.007 9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.532 1.244 9.620 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.095 -1.041 10.756 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.540 0.661 10.593 1.00 0.00 H new ATOM 993 N ILE A 70 -11.157 -5.991 5.769 1.00 0.00 N ATOM 994 CA ILE A 70 -11.257 -7.443 5.898 1.00 0.00 C ATOM 995 C ILE A 70 -10.894 -8.138 4.585 1.00 0.00 C ATOM 996 O ILE A 70 -10.235 -9.180 4.590 1.00 0.00 O ATOM 997 CB ILE A 70 -12.672 -7.884 6.338 1.00 0.00 C ATOM 998 CG1 ILE A 70 -13.104 -7.125 7.597 1.00 0.00 C ATOM 999 CG2 ILE A 70 -12.706 -9.388 6.588 1.00 0.00 C ATOM 1000 CD1 ILE A 70 -12.223 -7.397 8.802 1.00 0.00 C ATOM 0 H ILE A 70 -12.054 -5.507 5.722 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.547 -7.739 6.670 1.00 0.00 H new ATOM 0 HB ILE A 70 -13.371 -7.649 5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.098 -6.056 7.387 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -14.131 -7.396 7.840 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -13.709 -9.683 6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.439 -9.915 5.672 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.995 -9.642 7.374 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -12.588 -6.826 9.656 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -12.248 -8.461 9.039 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.199 -7.099 8.578 1.00 0.00 H new ATOM 1012 N ALA A 71 -11.319 -7.554 3.463 1.00 0.00 N ATOM 1013 CA ALA A 71 -11.030 -8.118 2.144 1.00 0.00 C ATOM 1014 C ALA A 71 -9.525 -8.238 1.916 1.00 0.00 C ATOM 1015 O ALA A 71 -9.032 -9.301 1.537 1.00 0.00 O ATOM 1016 CB ALA A 71 -11.665 -7.277 1.045 1.00 0.00 C ATOM 0 H ALA A 71 -11.864 -6.692 3.442 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.462 -9.118 2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.437 -7.715 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.745 -7.250 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -11.268 -6.263 1.088 1.00 0.00 H new ATOM 1022 N PHE A 72 -8.799 -7.143 2.153 1.00 0.00 N ATOM 1023 CA PHE A 72 -7.347 -7.129 1.977 1.00 0.00 C ATOM 1024 C PHE A 72 -6.666 -8.094 2.946 1.00 0.00 C ATOM 1025 O PHE A 72 -5.651 -8.701 2.609 1.00 0.00 O ATOM 1026 CB PHE A 72 -6.792 -5.715 2.161 1.00 0.00 C ATOM 1027 CG PHE A 72 -6.404 -5.052 0.867 1.00 0.00 C ATOM 1028 CD1 PHE A 72 -7.367 -4.713 -0.072 1.00 0.00 C ATOM 1029 CD2 PHE A 72 -5.076 -4.775 0.586 1.00 0.00 C ATOM 1030 CE1 PHE A 72 -7.011 -4.110 -1.264 1.00 0.00 C ATOM 1031 CE2 PHE A 72 -4.714 -4.172 -0.604 1.00 0.00 C ATOM 1032 CZ PHE A 72 -5.684 -3.839 -1.530 1.00 0.00 C ATOM 0 H PHE A 72 -9.193 -6.256 2.467 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.133 -7.458 0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.539 -5.102 2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.921 -5.757 2.815 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -8.407 -4.923 0.130 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.314 -5.034 1.306 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.771 -3.851 -1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.675 -3.962 -0.810 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.404 -3.367 -2.460 1.00 0.00 H new ATOM 1042 N GLN A 73 -7.230 -8.240 4.148 1.00 0.00 N ATOM 1043 CA GLN A 73 -6.673 -9.150 5.149 1.00 0.00 C ATOM 1044 C GLN A 73 -6.638 -10.587 4.621 1.00 0.00 C ATOM 1045 O GLN A 73 -5.739 -11.358 4.956 1.00 0.00 O ATOM 1046 CB GLN A 73 -7.489 -9.091 6.444 1.00 0.00 C ATOM 1047 CG GLN A 73 -6.699 -9.494 7.680 1.00 0.00 C ATOM 1048 CD GLN A 73 -7.009 -10.907 8.138 1.00 0.00 C ATOM 1049 OE1 GLN A 73 -6.329 -11.858 7.756 1.00 0.00 O ATOM 1050 NE2 GLN A 73 -8.040 -11.052 8.963 1.00 0.00 N ATOM 0 H GLN A 73 -8.068 -7.742 4.449 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.652 -8.831 5.359 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.868 -8.078 6.579 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.356 -9.745 6.348 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.633 -9.411 7.468 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.918 -8.798 8.489 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.578 -10.236 9.255 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.294 -11.979 9.304 1.00 0.00 H new ATOM 1059 N LYS A 74 -7.617 -10.935 3.789 1.00 0.00 N ATOM 1060 CA LYS A 74 -7.698 -12.271 3.206 1.00 0.00 C ATOM 1061 C LYS A 74 -6.728 -12.418 2.032 1.00 0.00 C ATOM 1062 O LYS A 74 -6.239 -13.515 1.756 1.00 0.00 O ATOM 1063 CB LYS A 74 -9.127 -12.546 2.738 1.00 0.00 C ATOM 1064 CG LYS A 74 -9.670 -13.900 3.174 1.00 0.00 C ATOM 1065 CD LYS A 74 -10.513 -13.785 4.436 1.00 0.00 C ATOM 1066 CE LYS A 74 -11.426 -14.992 4.615 1.00 0.00 C ATOM 1067 NZ LYS A 74 -11.574 -15.374 6.049 1.00 0.00 N ATOM 0 H LYS A 74 -8.368 -10.307 3.503 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.420 -12.996 3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.781 -11.763 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.160 -12.485 1.650 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.271 -14.327 2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.841 -14.585 3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.859 -13.691 5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.114 -12.877 4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.407 -14.769 4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.024 -15.836 4.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.203 -16.199 6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.641 -15.612 6.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.981 -14.578 6.580 1.00 0.00 H new ATOM 1081 N VAL A 75 -6.455 -11.308 1.343 1.00 0.00 N ATOM 1082 CA VAL A 75 -5.547 -11.316 0.199 1.00 0.00 C ATOM 1083 C VAL A 75 -4.088 -11.322 0.652 1.00 0.00 C ATOM 1084 O VAL A 75 -3.268 -12.062 0.110 1.00 0.00 O ATOM 1085 CB VAL A 75 -5.786 -10.102 -0.730 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -4.974 -10.238 -2.011 1.00 0.00 C ATOM 1087 CG2 VAL A 75 -7.269 -9.946 -1.045 1.00 0.00 C ATOM 0 H VAL A 75 -6.851 -10.393 1.559 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.755 -12.230 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.454 -9.204 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.156 -9.374 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.913 -10.291 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.271 -11.147 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.413 -9.086 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.632 -10.846 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.824 -9.794 -0.119 1.00 0.00 H new ATOM 1097 N VAL A 76 -3.767 -10.490 1.644 1.00 0.00 N ATOM 1098 CA VAL A 76 -2.402 -10.408 2.154 1.00 0.00 C ATOM 1099 C VAL A 76 -2.339 -10.561 3.677 1.00 0.00 C ATOM 1100 O VAL A 76 -1.458 -11.250 4.197 1.00 0.00 O ATOM 1101 CB VAL A 76 -1.713 -9.085 1.745 1.00 0.00 C ATOM 1102 CG1 VAL A 76 -1.556 -9.007 0.233 1.00 0.00 C ATOM 1103 CG2 VAL A 76 -2.484 -7.878 2.271 1.00 0.00 C ATOM 0 H VAL A 76 -4.430 -9.868 2.106 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.867 -11.242 1.700 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.720 -9.070 2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.069 -8.069 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.948 -9.843 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.538 -9.053 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.977 -6.962 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.494 -7.885 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.533 -7.923 3.359 1.00 0.00 H new ATOM 1113 N GLY A 77 -3.265 -9.914 4.387 1.00 0.00 N ATOM 1114 CA GLY A 77 -3.283 -9.992 5.842 1.00 0.00 C ATOM 1115 C GLY A 77 -2.823 -8.701 6.498 1.00 0.00 C ATOM 1116 O GLY A 77 -2.020 -8.726 7.432 1.00 0.00 O ATOM 0 H GLY A 77 -4.002 -9.338 3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.293 -10.227 6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.641 -10.810 6.167 1.00 0.00 H new ATOM 1120 N SER A 78 -3.338 -7.571 6.011 1.00 0.00 N ATOM 1121 CA SER A 78 -2.984 -6.267 6.549 1.00 0.00 C ATOM 1122 C SER A 78 -4.101 -5.740 7.446 1.00 0.00 C ATOM 1123 O SER A 78 -4.962 -4.978 7.002 1.00 0.00 O ATOM 1124 CB SER A 78 -2.704 -5.278 5.409 1.00 0.00 C ATOM 1125 OG SER A 78 -3.549 -5.522 4.295 1.00 0.00 O ATOM 0 H SER A 78 -4.005 -7.539 5.240 1.00 0.00 H new ATOM 0 HA SER A 78 -2.080 -6.373 7.148 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.853 -4.258 5.765 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.661 -5.359 5.102 1.00 0.00 H new ATOM 0 HG SER A 78 -3.349 -4.876 3.585 1.00 0.00 H new ATOM 1131 N ARG A 79 -4.074 -6.145 8.718 1.00 0.00 N ATOM 1132 CA ARG A 79 -5.079 -5.706 9.685 1.00 0.00 C ATOM 1133 C ARG A 79 -4.682 -4.365 10.320 1.00 0.00 C ATOM 1134 O ARG A 79 -5.138 -4.031 11.418 1.00 0.00 O ATOM 1135 CB ARG A 79 -5.271 -6.773 10.773 1.00 0.00 C ATOM 1136 CG ARG A 79 -6.712 -6.923 11.241 1.00 0.00 C ATOM 1137 CD ARG A 79 -6.789 -7.250 12.726 1.00 0.00 C ATOM 1138 NE ARG A 79 -7.063 -8.667 12.971 1.00 0.00 N ATOM 1139 CZ ARG A 79 -7.528 -9.151 14.127 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -7.763 -8.339 15.156 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -7.756 -10.454 14.259 1.00 0.00 N ATOM 0 H ARG A 79 -3.368 -6.775 9.100 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.022 -5.566 9.156 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.921 -7.733 10.393 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.645 -6.522 11.629 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.257 -6.000 11.043 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.201 -7.711 10.669 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.849 -6.976 13.205 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.570 -6.646 13.188 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.888 -9.326 12.212 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.588 -7.338 15.066 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.118 -8.718 16.034 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.576 -11.085 13.478 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.111 -10.823 15.141 1.00 0.00 H new ATOM 1155 N ASN A 80 -3.832 -3.601 9.622 1.00 0.00 N ATOM 1156 CA ASN A 80 -3.374 -2.302 10.115 1.00 0.00 C ATOM 1157 C ASN A 80 -2.767 -1.470 8.984 1.00 0.00 C ATOM 1158 O ASN A 80 -2.249 -2.019 8.010 1.00 0.00 O ATOM 1159 CB ASN A 80 -2.344 -2.492 11.237 1.00 0.00 C ATOM 1160 CG ASN A 80 -1.935 -1.181 11.884 1.00 0.00 C ATOM 1161 OD1 ASN A 80 -0.777 -0.778 11.809 1.00 0.00 O ATOM 1162 ND2 ASN A 80 -2.886 -0.506 12.521 1.00 0.00 N ATOM 0 H ASN A 80 -3.449 -3.863 8.714 1.00 0.00 H new ATOM 0 HA ASN A 80 -4.237 -1.767 10.510 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.759 -3.154 11.997 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.460 -2.985 10.833 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -2.666 0.383 12.971 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.836 -0.876 12.560 1.00 0.00 H new ATOM 1169 N LEU A 81 -2.830 -0.142 9.122 1.00 0.00 N ATOM 1170 CA LEU A 81 -2.282 0.771 8.114 1.00 0.00 C ATOM 1171 C LEU A 81 -1.268 1.733 8.737 1.00 0.00 C ATOM 1172 O LEU A 81 -1.274 1.944 9.951 1.00 0.00 O ATOM 1173 CB LEU A 81 -3.406 1.568 7.433 1.00 0.00 C ATOM 1174 CG LEU A 81 -4.612 1.910 8.318 1.00 0.00 C ATOM 1175 CD1 LEU A 81 -4.288 3.063 9.257 1.00 0.00 C ATOM 1176 CD2 LEU A 81 -5.822 2.245 7.455 1.00 0.00 C ATOM 0 H LEU A 81 -3.255 0.325 9.923 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.772 0.167 7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.986 2.498 7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.760 0.999 6.573 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.849 1.037 8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.159 3.286 9.873 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.451 2.786 9.898 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.022 3.944 8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.670 2.486 8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.591 3.101 6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.071 1.388 6.830 1.00 0.00 H new ATOM 1188 N PRO A 82 -0.378 2.331 7.915 1.00 0.00 N ATOM 1189 CA PRO A 82 -0.332 2.110 6.460 1.00 0.00 C ATOM 1190 C PRO A 82 0.208 0.727 6.087 1.00 0.00 C ATOM 1191 O PRO A 82 0.936 0.104 6.861 1.00 0.00 O ATOM 1192 CB PRO A 82 0.623 3.203 5.949 1.00 0.00 C ATOM 1193 CG PRO A 82 0.864 4.112 7.111 1.00 0.00 C ATOM 1194 CD PRO A 82 0.658 3.279 8.342 1.00 0.00 C ATOM 0 HA PRO A 82 -1.330 2.156 6.023 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.557 2.770 5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.183 3.746 5.113 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.874 4.522 7.082 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.176 4.958 7.093 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.573 2.770 8.646 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.332 3.882 9.190 1.00 0.00 H new ATOM 1202 N THR A 83 -0.155 0.256 4.892 1.00 0.00 N ATOM 1203 CA THR A 83 0.290 -1.051 4.410 1.00 0.00 C ATOM 1204 C THR A 83 0.522 -1.026 2.898 1.00 0.00 C ATOM 1205 O THR A 83 -0.328 -0.556 2.138 1.00 0.00 O ATOM 1206 CB THR A 83 -0.741 -2.133 4.775 1.00 0.00 C ATOM 1207 OG1 THR A 83 -0.493 -3.338 4.068 1.00 0.00 O ATOM 1208 CG2 THR A 83 -2.172 -1.725 4.494 1.00 0.00 C ATOM 0 H THR A 83 -0.756 0.761 4.241 1.00 0.00 H new ATOM 0 HA THR A 83 1.237 -1.289 4.895 1.00 0.00 H new ATOM 0 HB THR A 83 -0.624 -2.277 5.849 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.160 -3.878 4.560 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.844 -2.536 4.776 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.417 -0.834 5.072 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.287 -1.511 3.431 1.00 0.00 H new ATOM 1216 N ILE A 84 1.680 -1.535 2.467 1.00 0.00 N ATOM 1217 CA ILE A 84 2.026 -1.570 1.046 1.00 0.00 C ATOM 1218 C ILE A 84 2.061 -3.004 0.517 1.00 0.00 C ATOM 1219 O ILE A 84 2.803 -3.847 1.026 1.00 0.00 O ATOM 1220 CB ILE A 84 3.397 -0.909 0.778 1.00 0.00 C ATOM 1221 CG1 ILE A 84 3.495 0.452 1.474 1.00 0.00 C ATOM 1222 CG2 ILE A 84 3.633 -0.764 -0.721 1.00 0.00 C ATOM 1223 CD1 ILE A 84 4.910 0.984 1.561 1.00 0.00 C ATOM 0 H ILE A 84 2.392 -1.928 3.083 1.00 0.00 H new ATOM 0 HA ILE A 84 1.250 -1.009 0.525 1.00 0.00 H new ATOM 0 HB ILE A 84 4.173 -1.554 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.877 1.171 0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.084 0.367 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.603 -0.297 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.616 -1.748 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.849 -0.143 -1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.905 1.950 2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.528 0.284 2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.317 1.101 0.557 1.00 0.00 H new ATOM 1235 N VAL A 85 1.258 -3.271 -0.514 1.00 0.00 N ATOM 1236 CA VAL A 85 1.197 -4.599 -1.123 1.00 0.00 C ATOM 1237 C VAL A 85 1.769 -4.588 -2.541 1.00 0.00 C ATOM 1238 O VAL A 85 1.295 -3.850 -3.408 1.00 0.00 O ATOM 1239 CB VAL A 85 -0.249 -5.144 -1.160 1.00 0.00 C ATOM 1240 CG1 VAL A 85 -0.683 -5.601 0.225 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -1.213 -4.102 -1.712 1.00 0.00 C ATOM 0 H VAL A 85 0.640 -2.583 -0.945 1.00 0.00 H new ATOM 0 HA VAL A 85 1.803 -5.256 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.269 -6.005 -1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.703 -5.981 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.017 -6.390 0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.640 -4.759 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.223 -4.512 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.191 -3.215 -1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.916 -3.832 -2.726 1.00 0.00 H new ATOM 1251 N VAL A 86 2.794 -5.411 -2.768 1.00 0.00 N ATOM 1252 CA VAL A 86 3.439 -5.505 -4.076 1.00 0.00 C ATOM 1253 C VAL A 86 3.336 -6.923 -4.630 1.00 0.00 C ATOM 1254 O VAL A 86 3.787 -7.878 -3.996 1.00 0.00 O ATOM 1255 CB VAL A 86 4.928 -5.102 -4.002 1.00 0.00 C ATOM 1256 CG1 VAL A 86 5.536 -5.011 -5.396 1.00 0.00 C ATOM 1257 CG2 VAL A 86 5.089 -3.787 -3.250 1.00 0.00 C ATOM 0 H VAL A 86 3.196 -6.024 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 86 2.918 -4.814 -4.739 1.00 0.00 H new ATOM 0 HB VAL A 86 5.465 -5.876 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.585 -4.726 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.459 -5.979 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.999 -4.263 -5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.145 -3.519 -3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.536 -3.003 -3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.702 -3.897 -2.237 1.00 0.00 H new ATOM 1267 N ASN A 87 2.732 -7.054 -5.813 1.00 0.00 N ATOM 1268 CA ASN A 87 2.555 -8.355 -6.457 1.00 0.00 C ATOM 1269 C ASN A 87 1.625 -9.247 -5.631 1.00 0.00 C ATOM 1270 O ASN A 87 1.888 -10.439 -5.447 1.00 0.00 O ATOM 1271 CB ASN A 87 3.911 -9.044 -6.666 1.00 0.00 C ATOM 1272 CG ASN A 87 3.915 -9.953 -7.883 1.00 0.00 C ATOM 1273 OD1 ASN A 87 4.517 -9.632 -8.909 1.00 0.00 O ATOM 1274 ND2 ASN A 87 3.241 -11.093 -7.778 1.00 0.00 N ATOM 0 H ASN A 87 2.356 -6.270 -6.346 1.00 0.00 H new ATOM 0 HA ASN A 87 2.097 -8.191 -7.432 1.00 0.00 H new ATOM 0 HB2 ASN A 87 4.687 -8.287 -6.778 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.160 -9.627 -5.779 1.00 0.00 H new ATOM 0 HD21 ASN A 87 3.209 -11.741 -8.565 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.756 -11.321 -6.910 1.00 0.00 H new ATOM 1281 N GLY A 88 0.530 -8.660 -5.138 1.00 0.00 N ATOM 1282 CA GLY A 88 -0.429 -9.407 -4.340 1.00 0.00 C ATOM 1283 C GLY A 88 0.189 -10.021 -3.099 1.00 0.00 C ATOM 1284 O GLY A 88 0.009 -11.211 -2.832 1.00 0.00 O ATOM 0 H GLY A 88 0.293 -7.678 -5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.243 -8.745 -4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.866 -10.197 -4.951 1.00 0.00 H new ATOM 1288 N LYS A 89 0.919 -9.208 -2.341 1.00 0.00 N ATOM 1289 CA LYS A 89 1.572 -9.665 -1.121 1.00 0.00 C ATOM 1290 C LYS A 89 2.216 -8.491 -0.385 1.00 0.00 C ATOM 1291 O LYS A 89 2.875 -7.648 -0.996 1.00 0.00 O ATOM 1292 CB LYS A 89 2.626 -10.732 -1.433 1.00 0.00 C ATOM 1293 CG LYS A 89 3.582 -10.346 -2.553 1.00 0.00 C ATOM 1294 CD LYS A 89 4.659 -11.399 -2.759 1.00 0.00 C ATOM 1295 CE LYS A 89 4.408 -12.216 -4.017 1.00 0.00 C ATOM 1296 NZ LYS A 89 5.612 -12.991 -4.428 1.00 0.00 N ATOM 0 H LYS A 89 1.073 -8.222 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 89 0.812 -10.108 -0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.202 -10.934 -0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.121 -11.659 -1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.023 -10.211 -3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.048 -9.389 -2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.634 -10.915 -2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.691 -12.062 -1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.577 -12.901 -3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.110 -11.551 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.398 -13.534 -5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.398 -12.337 -4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.881 -13.644 -3.665 1.00 0.00 H new ATOM 1310 N PHE A 90 2.015 -8.447 0.927 1.00 0.00 N ATOM 1311 CA PHE A 90 2.569 -7.383 1.765 1.00 0.00 C ATOM 1312 C PHE A 90 4.095 -7.404 1.737 1.00 0.00 C ATOM 1313 O PHE A 90 4.729 -8.220 2.409 1.00 0.00 O ATOM 1314 CB PHE A 90 2.061 -7.522 3.204 1.00 0.00 C ATOM 1315 CG PHE A 90 2.511 -6.417 4.121 1.00 0.00 C ATOM 1316 CD1 PHE A 90 1.827 -5.213 4.164 1.00 0.00 C ATOM 1317 CD2 PHE A 90 3.615 -6.586 4.942 1.00 0.00 C ATOM 1318 CE1 PHE A 90 2.236 -4.199 5.008 1.00 0.00 C ATOM 1319 CE2 PHE A 90 4.029 -5.574 5.786 1.00 0.00 C ATOM 1320 CZ PHE A 90 3.336 -4.379 5.820 1.00 0.00 C ATOM 0 H PHE A 90 1.469 -9.140 1.439 1.00 0.00 H new ATOM 0 HA PHE A 90 2.236 -6.426 1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.971 -7.550 3.193 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.400 -8.476 3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.965 -5.066 3.531 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.158 -7.520 4.922 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.694 -3.265 5.032 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.893 -5.716 6.418 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.655 -3.587 6.481 1.00 0.00 H new ATOM 1330 N TRP A 91 4.675 -6.501 0.950 1.00 0.00 N ATOM 1331 CA TRP A 91 6.127 -6.410 0.822 1.00 0.00 C ATOM 1332 C TRP A 91 6.665 -5.099 1.408 1.00 0.00 C ATOM 1333 O TRP A 91 7.820 -5.037 1.832 1.00 0.00 O ATOM 1334 CB TRP A 91 6.536 -6.535 -0.651 1.00 0.00 C ATOM 1335 CG TRP A 91 6.975 -7.919 -1.040 1.00 0.00 C ATOM 1336 CD1 TRP A 91 6.462 -9.103 -0.592 1.00 0.00 C ATOM 1337 CD2 TRP A 91 8.018 -8.261 -1.963 1.00 0.00 C ATOM 1338 NE1 TRP A 91 7.125 -10.156 -1.174 1.00 0.00 N ATOM 1339 CE2 TRP A 91 8.083 -9.666 -2.021 1.00 0.00 C ATOM 1340 CE3 TRP A 91 8.905 -7.515 -2.747 1.00 0.00 C ATOM 1341 CZ2 TRP A 91 8.997 -10.339 -2.829 1.00 0.00 C ATOM 1342 CZ3 TRP A 91 9.811 -8.183 -3.550 1.00 0.00 C ATOM 1343 CH2 TRP A 91 9.850 -9.582 -3.586 1.00 0.00 C ATOM 0 H TRP A 91 4.161 -5.821 0.390 1.00 0.00 H new ATOM 0 HA TRP A 91 6.563 -7.232 1.389 1.00 0.00 H new ATOM 0 HB2 TRP A 91 5.695 -6.240 -1.279 1.00 0.00 H new ATOM 0 HB3 TRP A 91 7.347 -5.835 -0.855 1.00 0.00 H new ATOM 0 HD1 TRP A 91 5.653 -9.198 0.117 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.934 -11.143 -1.003 1.00 0.00 H new ATOM 0 HE3 TRP A 91 8.882 -6.435 -2.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 9.031 -11.418 -2.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 10.500 -7.616 -4.159 1.00 0.00 H new ATOM 0 HH2 TRP A 91 10.568 -10.074 -4.225 1.00 0.00 H new ATOM 1354 N GLY A 92 5.829 -4.054 1.433 1.00 0.00 N ATOM 1355 CA GLY A 92 6.263 -2.774 1.974 1.00 0.00 C ATOM 1356 C GLY A 92 5.542 -2.406 3.256 1.00 0.00 C ATOM 1357 O GLY A 92 4.342 -2.648 3.391 1.00 0.00 O ATOM 0 H GLY A 92 4.868 -4.073 1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.336 -2.809 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.095 -1.994 1.231 1.00 0.00 H new ATOM 1361 N THR A 93 6.278 -1.820 4.200 1.00 0.00 N ATOM 1362 CA THR A 93 5.705 -1.420 5.482 1.00 0.00 C ATOM 1363 C THR A 93 5.923 0.068 5.743 1.00 0.00 C ATOM 1364 O THR A 93 6.878 0.661 5.236 1.00 0.00 O ATOM 1365 CB THR A 93 6.326 -2.236 6.623 1.00 0.00 C ATOM 1366 OG1 THR A 93 6.728 -3.524 6.179 1.00 0.00 O ATOM 1367 CG2 THR A 93 5.394 -2.423 7.801 1.00 0.00 C ATOM 0 H THR A 93 7.272 -1.612 4.100 1.00 0.00 H new ATOM 0 HA THR A 93 4.633 -1.613 5.440 1.00 0.00 H new ATOM 0 HB THR A 93 7.188 -1.653 6.948 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.936 -4.085 6.044 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.895 -3.008 8.572 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.119 -1.449 8.206 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.495 -2.947 7.475 1.00 0.00 H new ATOM 1375 N GLU A 94 5.043 0.661 6.551 1.00 0.00 N ATOM 1376 CA GLU A 94 5.146 2.081 6.898 1.00 0.00 C ATOM 1377 C GLU A 94 6.512 2.390 7.516 1.00 0.00 C ATOM 1378 O GLU A 94 7.083 3.455 7.275 1.00 0.00 O ATOM 1379 CB GLU A 94 4.028 2.489 7.866 1.00 0.00 C ATOM 1380 CG GLU A 94 3.808 1.518 9.023 1.00 0.00 C ATOM 1381 CD GLU A 94 3.626 2.227 10.351 1.00 0.00 C ATOM 1382 OE1 GLU A 94 4.629 2.730 10.900 1.00 0.00 O ATOM 1383 OE2 GLU A 94 2.479 2.281 10.844 1.00 0.00 O ATOM 0 H GLU A 94 4.251 0.181 6.978 1.00 0.00 H new ATOM 0 HA GLU A 94 5.039 2.658 5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.258 3.474 8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.097 2.585 7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 94 2.929 0.907 8.818 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.659 0.840 9.091 1.00 0.00 H new ATOM 1390 N SER A 95 7.029 1.449 8.309 1.00 0.00 N ATOM 1391 CA SER A 95 8.328 1.614 8.958 1.00 0.00 C ATOM 1392 C SER A 95 9.469 1.170 8.040 1.00 0.00 C ATOM 1393 O SER A 95 10.592 1.661 8.165 1.00 0.00 O ATOM 1394 CB SER A 95 8.379 0.824 10.268 1.00 0.00 C ATOM 1395 OG SER A 95 7.537 1.404 11.248 1.00 0.00 O ATOM 0 H SER A 95 6.566 0.564 8.516 1.00 0.00 H new ATOM 0 HA SER A 95 8.455 2.675 9.175 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.074 -0.207 10.086 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.404 0.793 10.637 1.00 0.00 H new ATOM 0 HG SER A 95 6.700 1.694 10.830 1.00 0.00 H new ATOM 1401 N GLN A 96 9.185 0.240 7.121 1.00 0.00 N ATOM 1402 CA GLN A 96 10.202 -0.253 6.195 1.00 0.00 C ATOM 1403 C GLN A 96 10.830 0.896 5.405 1.00 0.00 C ATOM 1404 O GLN A 96 12.032 0.889 5.136 1.00 0.00 O ATOM 1405 CB GLN A 96 9.600 -1.279 5.233 1.00 0.00 C ATOM 1406 CG GLN A 96 10.643 -2.057 4.443 1.00 0.00 C ATOM 1407 CD GLN A 96 10.474 -3.560 4.572 1.00 0.00 C ATOM 1408 OE1 GLN A 96 11.326 -4.244 5.139 1.00 0.00 O ATOM 1409 NE2 GLN A 96 9.370 -4.082 4.046 1.00 0.00 N ATOM 0 H GLN A 96 8.264 -0.182 7.002 1.00 0.00 H new ATOM 0 HA GLN A 96 10.983 -0.734 6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.987 -1.980 5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.936 -0.766 4.537 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.580 -1.777 3.391 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.638 -1.776 4.788 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.690 -3.478 3.585 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.203 -5.087 4.104 1.00 0.00 H new ATOM 1418 N LEU A 97 10.012 1.883 5.039 1.00 0.00 N ATOM 1419 CA LEU A 97 10.493 3.038 4.281 1.00 0.00 C ATOM 1420 C LEU A 97 11.407 3.920 5.139 1.00 0.00 C ATOM 1421 O LEU A 97 12.393 4.464 4.644 1.00 0.00 O ATOM 1422 CB LEU A 97 9.312 3.861 3.748 1.00 0.00 C ATOM 1423 CG LEU A 97 8.160 3.046 3.143 1.00 0.00 C ATOM 1424 CD1 LEU A 97 7.016 3.962 2.728 1.00 0.00 C ATOM 1425 CD2 LEU A 97 8.647 2.224 1.956 1.00 0.00 C ATOM 0 H LEU A 97 9.015 1.906 5.255 1.00 0.00 H new ATOM 0 HA LEU A 97 11.073 2.666 3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.917 4.467 4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.684 4.550 2.990 1.00 0.00 H new ATOM 0 HG LEU A 97 7.791 2.359 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.209 3.366 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.647 4.501 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.372 4.675 1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.815 1.654 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.046 2.890 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.429 1.539 2.284 1.00 0.00 H new ATOM 1437 N HIS A 98 11.077 4.056 6.425 1.00 0.00 N ATOM 1438 CA HIS A 98 11.878 4.873 7.340 1.00 0.00 C ATOM 1439 C HIS A 98 13.251 4.244 7.585 1.00 0.00 C ATOM 1440 O HIS A 98 14.279 4.894 7.393 1.00 0.00 O ATOM 1441 CB HIS A 98 11.141 5.066 8.675 1.00 0.00 C ATOM 1442 CG HIS A 98 11.841 5.982 9.640 1.00 0.00 C ATOM 1443 ND1 HIS A 98 11.411 6.172 10.939 1.00 0.00 N ATOM 1444 CD2 HIS A 98 12.942 6.763 9.495 1.00 0.00 C ATOM 1445 CE1 HIS A 98 12.215 7.028 11.547 1.00 0.00 C ATOM 1446 NE2 HIS A 98 13.150 7.400 10.694 1.00 0.00 N ATOM 0 H HIS A 98 10.265 3.614 6.855 1.00 0.00 H new ATOM 0 HA HIS A 98 12.027 5.847 6.873 1.00 0.00 H new ATOM 0 HB2 HIS A 98 10.146 5.462 8.473 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.008 4.093 9.147 1.00 0.00 H new ATOM 0 HD2 HIS A 98 13.542 6.865 8.603 1.00 0.00 H new ATOM 0 HE1 HIS A 98 12.122 7.365 12.569 1.00 0.00 H new ATOM 0 HE2 HIS A 98 13.906 8.055 10.893 1.00 0.00 H new ATOM 1455 N ARG A 99 13.264 2.980 8.015 1.00 0.00 N ATOM 1456 CA ARG A 99 14.512 2.275 8.291 1.00 0.00 C ATOM 1457 C ARG A 99 15.400 2.174 7.044 1.00 0.00 C ATOM 1458 O ARG A 99 16.625 2.133 7.158 1.00 0.00 O ATOM 1459 CB ARG A 99 14.225 0.880 8.858 1.00 0.00 C ATOM 1460 CG ARG A 99 13.458 -0.038 7.919 1.00 0.00 C ATOM 1461 CD ARG A 99 12.549 -0.986 8.687 1.00 0.00 C ATOM 1462 NE ARG A 99 12.357 -2.259 7.988 1.00 0.00 N ATOM 1463 CZ ARG A 99 11.833 -3.352 8.553 1.00 0.00 C ATOM 1464 NH1 ARG A 99 11.436 -3.335 9.823 1.00 0.00 N ATOM 1465 NH2 ARG A 99 11.703 -4.465 7.841 1.00 0.00 N ATOM 0 H ARG A 99 12.423 2.426 8.179 1.00 0.00 H new ATOM 0 HA ARG A 99 15.058 2.855 9.035 1.00 0.00 H new ATOM 0 HB2 ARG A 99 15.171 0.405 9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 99 13.659 0.987 9.783 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.863 0.560 7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.161 -0.614 7.317 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.975 -1.176 9.672 1.00 0.00 H new ATOM 0 HD3 ARG A 99 11.581 -0.510 8.844 1.00 0.00 H new ATOM 0 HE ARG A 99 12.641 -2.315 7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 99 11.530 -2.483 10.375 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.038 -4.174 10.244 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.002 -4.485 6.866 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.304 -5.300 8.269 1.00 0.00 H new ATOM 1479 N PHE A 100 14.781 2.136 5.862 1.00 0.00 N ATOM 1480 CA PHE A 100 15.529 2.044 4.607 1.00 0.00 C ATOM 1481 C PHE A 100 16.086 3.409 4.196 1.00 0.00 C ATOM 1482 O PHE A 100 17.250 3.515 3.810 1.00 0.00 O ATOM 1483 CB PHE A 100 14.638 1.489 3.488 1.00 0.00 C ATOM 1484 CG PHE A 100 14.666 -0.014 3.370 1.00 0.00 C ATOM 1485 CD1 PHE A 100 14.308 -0.817 4.443 1.00 0.00 C ATOM 1486 CD2 PHE A 100 15.050 -0.621 2.184 1.00 0.00 C ATOM 1487 CE1 PHE A 100 14.333 -2.196 4.334 1.00 0.00 C ATOM 1488 CE2 PHE A 100 15.076 -1.998 2.070 1.00 0.00 C ATOM 1489 CZ PHE A 100 14.718 -2.786 3.147 1.00 0.00 C ATOM 0 H PHE A 100 13.768 2.167 5.748 1.00 0.00 H new ATOM 0 HA PHE A 100 16.365 1.363 4.768 1.00 0.00 H new ATOM 0 HB2 PHE A 100 13.611 1.810 3.662 1.00 0.00 H new ATOM 0 HB3 PHE A 100 14.951 1.924 2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 100 14.006 -0.360 5.374 1.00 0.00 H new ATOM 0 HD2 PHE A 100 15.332 -0.010 1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 100 14.052 -2.810 5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 100 15.376 -2.458 1.140 1.00 0.00 H new ATOM 0 HZ PHE A 100 14.739 -3.862 3.060 1.00 0.00 H new ATOM 1499 N GLU A 101 15.255 4.451 4.277 1.00 0.00 N ATOM 1500 CA GLU A 101 15.680 5.806 3.913 1.00 0.00 C ATOM 1501 C GLU A 101 16.805 6.288 4.826 1.00 0.00 C ATOM 1502 O GLU A 101 17.786 6.871 4.364 1.00 0.00 O ATOM 1503 CB GLU A 101 14.503 6.782 3.989 1.00 0.00 C ATOM 1504 CG GLU A 101 14.559 7.888 2.944 1.00 0.00 C ATOM 1505 CD GLU A 101 15.618 8.934 3.245 1.00 0.00 C ATOM 1506 OE1 GLU A 101 15.684 9.401 4.403 1.00 0.00 O ATOM 1507 OE2 GLU A 101 16.381 9.287 2.323 1.00 0.00 O ATOM 0 H GLU A 101 14.287 4.384 4.590 1.00 0.00 H new ATOM 0 HA GLU A 101 16.048 5.773 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.573 6.226 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 101 14.479 7.232 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.758 7.448 1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.584 8.372 2.883 1.00 0.00 H new ATOM 1514 N ALA A 102 16.645 6.039 6.124 1.00 0.00 N ATOM 1515 CA ALA A 102 17.634 6.439 7.125 1.00 0.00 C ATOM 1516 C ALA A 102 19.031 5.931 6.767 1.00 0.00 C ATOM 1517 O ALA A 102 20.004 6.683 6.829 1.00 0.00 O ATOM 1518 CB ALA A 102 17.226 5.931 8.501 1.00 0.00 C ATOM 0 H ALA A 102 15.833 5.558 6.510 1.00 0.00 H new ATOM 0 HA ALA A 102 17.669 7.528 7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.970 6.235 9.237 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.257 6.350 8.771 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.158 4.843 8.482 1.00 0.00 H new ATOM 1524 N LYS A 103 19.120 4.653 6.394 1.00 0.00 N ATOM 1525 CA LYS A 103 20.394 4.048 6.025 1.00 0.00 C ATOM 1526 C LYS A 103 20.818 4.474 4.622 1.00 0.00 C ATOM 1527 O LYS A 103 22.007 4.646 4.348 1.00 0.00 O ATOM 1528 CB LYS A 103 20.299 2.523 6.113 1.00 0.00 C ATOM 1529 CG LYS A 103 19.184 1.910 5.279 1.00 0.00 C ATOM 1530 CD LYS A 103 19.254 0.391 5.292 1.00 0.00 C ATOM 1531 CE LYS A 103 19.088 -0.169 6.698 1.00 0.00 C ATOM 1532 NZ LYS A 103 18.717 -1.613 6.683 1.00 0.00 N ATOM 0 H LYS A 103 18.322 4.019 6.341 1.00 0.00 H new ATOM 0 HA LYS A 103 21.152 4.396 6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 103 21.250 2.094 5.797 1.00 0.00 H new ATOM 0 HB3 LYS A 103 20.153 2.240 7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 103 18.218 2.235 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 103 19.255 2.270 4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.476 -0.015 4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 103 20.211 0.067 4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.018 -0.039 7.252 1.00 0.00 H new ATOM 0 HE3 LYS A 103 18.320 0.397 7.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 18.614 -1.955 7.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 17.817 -1.735 6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 19.461 -2.158 6.202 1.00 0.00 H new ATOM 1546 N GLY A 104 19.834 4.644 3.738 1.00 0.00 N ATOM 1547 CA GLY A 104 20.112 5.055 2.373 1.00 0.00 C ATOM 1548 C GLY A 104 19.921 3.932 1.367 1.00 0.00 C ATOM 1549 O GLY A 104 20.628 3.873 0.359 1.00 0.00 O ATOM 0 H GLY A 104 18.846 4.503 3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 104 19.459 5.887 2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.137 5.421 2.311 1.00 0.00 H new ATOM 1553 N THR A 105 18.964 3.042 1.636 1.00 0.00 N ATOM 1554 CA THR A 105 18.685 1.919 0.739 1.00 0.00 C ATOM 1555 C THR A 105 17.281 2.020 0.129 1.00 0.00 C ATOM 1556 O THR A 105 16.730 1.024 -0.341 1.00 0.00 O ATOM 1557 CB THR A 105 18.843 0.590 1.484 1.00 0.00 C ATOM 1558 OG1 THR A 105 17.906 0.489 2.543 1.00 0.00 O ATOM 1559 CG2 THR A 105 20.222 0.393 2.075 1.00 0.00 C ATOM 0 H THR A 105 18.371 3.077 2.465 1.00 0.00 H new ATOM 0 HA THR A 105 19.407 1.959 -0.076 1.00 0.00 H new ATOM 0 HB THR A 105 18.673 -0.180 0.731 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.084 0.068 2.214 1.00 0.00 H new ATOM 0 HG21 THR A 105 20.264 -0.568 2.588 1.00 0.00 H new ATOM 0 HG22 THR A 105 20.965 0.412 1.278 1.00 0.00 H new ATOM 0 HG23 THR A 105 20.431 1.193 2.785 1.00 0.00 H new ATOM 1567 N LEU A 106 16.713 3.229 0.129 1.00 0.00 N ATOM 1568 CA LEU A 106 15.384 3.450 -0.435 1.00 0.00 C ATOM 1569 C LEU A 106 15.462 3.587 -1.956 1.00 0.00 C ATOM 1570 O LEU A 106 14.690 2.961 -2.683 1.00 0.00 O ATOM 1571 CB LEU A 106 14.743 4.702 0.175 1.00 0.00 C ATOM 1572 CG LEU A 106 13.219 4.641 0.324 1.00 0.00 C ATOM 1573 CD1 LEU A 106 12.821 4.680 1.792 1.00 0.00 C ATOM 1574 CD2 LEU A 106 12.560 5.782 -0.439 1.00 0.00 C ATOM 0 H LEU A 106 17.153 4.065 0.512 1.00 0.00 H new ATOM 0 HA LEU A 106 14.763 2.587 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.183 4.875 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.999 5.562 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 106 12.872 3.699 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.735 4.636 1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.260 3.828 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.182 5.604 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.478 5.722 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.915 6.735 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.814 5.707 -1.496 1.00 0.00 H new ATOM 1586 N GLU A 107 16.405 4.406 -2.429 1.00 0.00 N ATOM 1587 CA GLU A 107 16.590 4.623 -3.866 1.00 0.00 C ATOM 1588 C GLU A 107 16.911 3.315 -4.587 1.00 0.00 C ATOM 1589 O GLU A 107 16.337 3.022 -5.635 1.00 0.00 O ATOM 1590 CB GLU A 107 17.706 5.642 -4.115 1.00 0.00 C ATOM 1591 CG GLU A 107 17.197 7.053 -4.361 1.00 0.00 C ATOM 1592 CD GLU A 107 17.200 7.433 -5.830 1.00 0.00 C ATOM 1593 OE1 GLU A 107 18.276 7.360 -6.461 1.00 0.00 O ATOM 1594 OE2 GLU A 107 16.127 7.804 -6.349 1.00 0.00 O ATOM 0 H GLU A 107 17.052 4.929 -1.838 1.00 0.00 H new ATOM 0 HA GLU A 107 15.654 5.014 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.377 5.651 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.294 5.322 -4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.183 7.142 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 107 17.816 7.759 -3.807 1.00 0.00 H new ATOM 1601 N GLU A 108 17.829 2.529 -4.017 1.00 0.00 N ATOM 1602 CA GLU A 108 18.218 1.251 -4.609 1.00 0.00 C ATOM 1603 C GLU A 108 17.036 0.284 -4.636 1.00 0.00 C ATOM 1604 O GLU A 108 16.825 -0.420 -5.624 1.00 0.00 O ATOM 1605 CB GLU A 108 19.385 0.632 -3.836 1.00 0.00 C ATOM 1606 CG GLU A 108 20.351 -0.146 -4.719 1.00 0.00 C ATOM 1607 CD GLU A 108 20.876 -1.405 -4.054 1.00 0.00 C ATOM 1608 OE1 GLU A 108 21.349 -1.318 -2.902 1.00 0.00 O ATOM 1609 OE2 GLU A 108 20.819 -2.479 -4.691 1.00 0.00 O ATOM 0 H GLU A 108 18.314 2.756 -3.149 1.00 0.00 H new ATOM 0 HA GLU A 108 18.537 1.438 -5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 108 19.931 1.423 -3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 108 18.990 -0.033 -3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 108 19.850 -0.414 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 108 21.191 0.496 -4.984 1.00 0.00 H new ATOM 1616 N GLU A 109 16.265 0.262 -3.548 1.00 0.00 N ATOM 1617 CA GLU A 109 15.099 -0.612 -3.448 1.00 0.00 C ATOM 1618 C GLU A 109 14.067 -0.269 -4.524 1.00 0.00 C ATOM 1619 O GLU A 109 13.489 -1.163 -5.141 1.00 0.00 O ATOM 1620 CB GLU A 109 14.465 -0.496 -2.055 1.00 0.00 C ATOM 1621 CG GLU A 109 13.386 -1.534 -1.777 1.00 0.00 C ATOM 1622 CD GLU A 109 13.873 -2.959 -1.968 1.00 0.00 C ATOM 1623 OE1 GLU A 109 14.447 -3.522 -1.013 1.00 0.00 O ATOM 1624 OE2 GLU A 109 13.684 -3.509 -3.074 1.00 0.00 O ATOM 0 H GLU A 109 16.428 0.840 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 109 15.430 -1.639 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.248 -0.590 -1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.034 0.499 -1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 109 13.027 -1.412 -0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 109 12.537 -1.354 -2.437 1.00 0.00 H new ATOM 1631 N LEU A 110 13.846 1.031 -4.745 1.00 0.00 N ATOM 1632 CA LEU A 110 12.885 1.491 -5.749 1.00 0.00 C ATOM 1633 C LEU A 110 13.263 0.993 -7.147 1.00 0.00 C ATOM 1634 O LEU A 110 12.392 0.624 -7.938 1.00 0.00 O ATOM 1635 CB LEU A 110 12.784 3.020 -5.742 1.00 0.00 C ATOM 1636 CG LEU A 110 11.581 3.582 -4.975 1.00 0.00 C ATOM 1637 CD1 LEU A 110 12.039 4.474 -3.831 1.00 0.00 C ATOM 1638 CD2 LEU A 110 10.654 4.347 -5.913 1.00 0.00 C ATOM 0 H LEU A 110 14.320 1.781 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 110 11.912 1.074 -5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 110 13.697 3.428 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.736 3.372 -6.773 1.00 0.00 H new ATOM 0 HG LEU A 110 11.026 2.744 -4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 110 11.169 4.861 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 110 12.655 3.895 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 110 12.622 5.305 -4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.807 4.737 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.199 5.174 -6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.292 3.677 -6.693 1.00 0.00 H new ATOM 1650 N THR A 111 14.562 0.973 -7.445 1.00 0.00 N ATOM 1651 CA THR A 111 15.038 0.503 -8.744 1.00 0.00 C ATOM 1652 C THR A 111 15.018 -1.027 -8.803 1.00 0.00 C ATOM 1653 O THR A 111 14.749 -1.611 -9.854 1.00 0.00 O ATOM 1654 CB THR A 111 16.456 1.020 -9.028 1.00 0.00 C ATOM 1655 OG1 THR A 111 16.634 2.330 -8.518 1.00 0.00 O ATOM 1656 CG2 THR A 111 16.801 1.048 -10.505 1.00 0.00 C ATOM 0 H THR A 111 15.299 1.275 -6.808 1.00 0.00 H new ATOM 0 HA THR A 111 14.367 0.894 -9.508 1.00 0.00 H new ATOM 0 HB THR A 111 17.120 0.314 -8.529 1.00 0.00 H new ATOM 0 HG1 THR A 111 17.545 2.635 -8.710 1.00 0.00 H new ATOM 0 HG21 THR A 111 17.816 1.423 -10.634 1.00 0.00 H new ATOM 0 HG22 THR A 111 16.732 0.040 -10.914 1.00 0.00 H new ATOM 0 HG23 THR A 111 16.103 1.701 -11.029 1.00 0.00 H new ATOM 1664 N LYS A 112 15.300 -1.669 -7.665 1.00 0.00 N ATOM 1665 CA LYS A 112 15.316 -3.130 -7.582 1.00 0.00 C ATOM 1666 C LYS A 112 13.920 -3.720 -7.799 1.00 0.00 C ATOM 1667 O LYS A 112 13.761 -4.688 -8.541 1.00 0.00 O ATOM 1668 CB LYS A 112 15.869 -3.581 -6.226 1.00 0.00 C ATOM 1669 CG LYS A 112 16.686 -4.863 -6.291 1.00 0.00 C ATOM 1670 CD LYS A 112 16.805 -5.516 -4.923 1.00 0.00 C ATOM 1671 CE LYS A 112 18.189 -6.111 -4.704 1.00 0.00 C ATOM 1672 NZ LYS A 112 18.219 -7.575 -4.980 1.00 0.00 N ATOM 0 H LYS A 112 15.520 -1.197 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 112 15.966 -3.498 -8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 112 16.491 -2.786 -5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.038 -3.725 -5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 112 16.219 -5.559 -6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 112 17.681 -4.643 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 112 16.599 -4.778 -4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 112 16.052 -6.299 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 112 18.907 -5.606 -5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 112 18.503 -5.930 -3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 19.180 -7.939 -4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 17.553 -8.061 -4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 17.945 -7.748 -5.968 1.00 0.00 H new ATOM 1686 N ILE A 113 12.913 -3.130 -7.146 1.00 0.00 N ATOM 1687 CA ILE A 113 11.530 -3.605 -7.269 1.00 0.00 C ATOM 1688 C ILE A 113 11.017 -3.500 -8.708 1.00 0.00 C ATOM 1689 O ILE A 113 10.100 -4.226 -9.097 1.00 0.00 O ATOM 1690 CB ILE A 113 10.562 -2.832 -6.340 1.00 0.00 C ATOM 1691 CG1 ILE A 113 10.617 -1.327 -6.631 1.00 0.00 C ATOM 1692 CG2 ILE A 113 10.883 -3.112 -4.877 1.00 0.00 C ATOM 1693 CD1 ILE A 113 9.692 -0.504 -5.759 1.00 0.00 C ATOM 0 H ILE A 113 13.029 -2.326 -6.529 1.00 0.00 H new ATOM 0 HA ILE A 113 11.551 -4.652 -6.968 1.00 0.00 H new ATOM 0 HB ILE A 113 9.548 -3.179 -6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.640 -0.976 -6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 113 10.361 -1.159 -7.677 1.00 0.00 H new ATOM 0 HG21 ILE A 113 10.192 -2.560 -4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.783 -4.179 -4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 113 11.904 -2.798 -4.662 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.786 0.550 -6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.663 -0.827 -5.914 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.961 -0.642 -4.712 1.00 0.00 H new ATOM 1705 N GLY A 114 11.606 -2.593 -9.487 1.00 0.00 N ATOM 1706 CA GLY A 114 11.189 -2.409 -10.867 1.00 0.00 C ATOM 1707 C GLY A 114 10.414 -1.118 -11.078 1.00 0.00 C ATOM 1708 O GLY A 114 9.649 -1.002 -12.037 1.00 0.00 O ATOM 0 H GLY A 114 12.365 -1.982 -9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.068 -2.410 -11.511 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.570 -3.253 -11.171 1.00 0.00 H new ATOM 1712 N LEU A 115 10.613 -0.144 -10.187 1.00 0.00 N ATOM 1713 CA LEU A 115 9.927 1.142 -10.288 1.00 0.00 C ATOM 1714 C LEU A 115 10.759 2.140 -11.094 1.00 0.00 C ATOM 1715 O LEU A 115 10.235 2.840 -11.965 1.00 0.00 O ATOM 1716 CB LEU A 115 9.641 1.701 -8.893 1.00 0.00 C ATOM 1717 CG LEU A 115 8.386 2.570 -8.787 1.00 0.00 C ATOM 1718 CD1 LEU A 115 7.700 2.358 -7.445 1.00 0.00 C ATOM 1719 CD2 LEU A 115 8.735 4.039 -8.987 1.00 0.00 C ATOM 0 H LEU A 115 11.243 -0.223 -9.389 1.00 0.00 H new ATOM 0 HA LEU A 115 8.982 0.984 -10.807 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.547 0.868 -8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.500 2.290 -8.571 1.00 0.00 H new ATOM 0 HG LEU A 115 7.694 2.272 -9.575 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.810 2.984 -7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.414 1.311 -7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.384 2.627 -6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.830 4.642 -8.908 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.447 4.351 -8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.178 4.177 -9.973 1.00 0.00 H new ATOM 1731 N LEU A 116 12.056 2.199 -10.798 1.00 0.00 N ATOM 1732 CA LEU A 116 12.968 3.107 -11.493 1.00 0.00 C ATOM 1733 C LEU A 116 13.736 2.371 -12.591 1.00 0.00 C ATOM 1734 O LEU A 116 14.056 1.190 -12.448 1.00 0.00 O ATOM 1735 CB LEU A 116 13.948 3.738 -10.498 1.00 0.00 C ATOM 1736 CG LEU A 116 13.538 5.112 -9.963 1.00 0.00 C ATOM 1737 CD1 LEU A 116 12.233 5.020 -9.183 1.00 0.00 C ATOM 1738 CD2 LEU A 116 14.642 5.697 -9.093 1.00 0.00 C ATOM 0 H LEU A 116 12.500 1.627 -10.080 1.00 0.00 H new ATOM 0 HA LEU A 116 12.376 3.896 -11.957 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.072 3.059 -9.654 1.00 0.00 H new ATOM 0 HB3 LEU A 116 14.922 3.829 -10.979 1.00 0.00 H new ATOM 0 HG LEU A 116 13.380 5.776 -10.813 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.960 6.008 -8.812 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.444 4.647 -9.836 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.359 4.339 -8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 116 14.333 6.674 -8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 116 14.832 5.032 -8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 116 15.552 5.804 -9.683 1.00 0.00 H new ATOM 1750 N PRO A 117 14.043 3.063 -13.707 1.00 0.00 N ATOM 1751 CA PRO A 117 14.779 2.469 -14.832 1.00 0.00 C ATOM 1752 C PRO A 117 16.253 2.219 -14.507 1.00 0.00 C ATOM 1753 O PRO A 117 16.841 1.299 -15.111 1.00 0.00 O ATOM 1754 CB PRO A 117 14.643 3.519 -15.939 1.00 0.00 C ATOM 1755 CG PRO A 117 14.460 4.808 -15.215 1.00 0.00 C ATOM 1756 CD PRO A 117 13.701 4.478 -13.958 1.00 0.00 C ATOM 1757 OXT PRO A 117 16.804 2.943 -13.648 1.00 0.00 O ATOM 0 HA PRO A 117 14.384 1.490 -15.102 1.00 0.00 H new ATOM 0 HB2 PRO A 117 15.529 3.543 -16.573 1.00 0.00 H new ATOM 0 HB3 PRO A 117 13.793 3.304 -16.587 1.00 0.00 H new ATOM 0 HG2 PRO A 117 15.422 5.263 -14.981 1.00 0.00 H new ATOM 0 HG3 PRO A 117 13.909 5.523 -15.826 1.00 0.00 H new ATOM 0 HD2 PRO A 117 14.003 5.117 -13.128 1.00 0.00 H new ATOM 0 HD3 PRO A 117 12.628 4.614 -14.090 1.00 0.00 H new TER 1765 PRO A 117