USER MOD reduce.3.24.130724 H: found=0, std=0, add=894, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 897 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 58 ASN :FLIP amide:sc= 0.0496 F(o=-0.34,f=0.62) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -177:sc= 0.566 (180deg=0.576) USER MOD Set 2.1: A 34 GLN : amide:sc= 0 X(o=0,f=0.0056) USER MOD Set 2.2: A 35 HIS : no HD1:sc= 0 X(o=0,f=0.0056) USER MOD Single : A 3 LYS NZ :NH3+ 169:sc=-0.00749 (180deg=-0.135) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0198 X(o=-0.02,f=-0.38) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 160:sc= -0.992 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -151:sc= 1.25 (180deg=0.434) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 67:sc= -0.0495 USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 40 ASN : amide:sc= 0.201 X(o=0.2,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= 0.89 (180deg=0.445) USER MOD Single : A 44 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 49 THR OG1 : rot -66:sc= 1.25 USER MOD Single : A 54 ASN : amide:sc= -1.99! C(o=-2!,f=-5.2!) USER MOD Single : A 55 LYS NZ :NH3+ -120:sc=-0.00394 (180deg=-0.696) USER MOD Single : A 64 TYR OH : rot 150:sc= -0.0461 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.736 K(o=-0.74,f=-1.8!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -169:sc= 0.574 (180deg=0.524) USER MOD Single : A 86 SER OG : rot 72:sc= 0.96 USER MOD Single : A 87 SER OG : rot 70:sc= 0.995 USER MOD Single : A 90 MET CE :methyl -152:sc= -2.52! (180deg=-3.8!) USER MOD Single : A 93 LYS NZ :NH3+ -169:sc= -0.0039 (180deg=-0.147) USER MOD Single : A 99 MET CE :methyl -125:sc= -0.0994 (180deg=-1.18) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -82:sc= 0.185 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0423 X(o=-0.042,f=-0.05) USER MOD Single : A 112 TYR OH : rot 48:sc= -0.229 USER MOD Single : A 113 LYS NZ :NH3+ 147:sc= 0.886 (180deg=0.353) USER MOD Single : A 115 THR OG1 : rot 85:sc= 0.456 USER MOD ----------------------------------------------------------------- ATOM 18 N ILE A 2 4.097 -0.835 -2.766 1.00 0.00 N ATOM 19 CA ILE A 2 5.204 -1.793 -2.617 1.00 0.00 C ATOM 20 C ILE A 2 5.864 -1.647 -1.237 1.00 0.00 C ATOM 21 O ILE A 2 6.119 -0.542 -0.800 1.00 0.00 O ATOM 22 CB ILE A 2 6.289 -1.570 -3.735 1.00 0.00 C ATOM 23 CG1 ILE A 2 5.638 -1.606 -5.154 1.00 0.00 C ATOM 24 CG2 ILE A 2 7.447 -2.600 -3.625 1.00 0.00 C ATOM 25 CD1 ILE A 2 6.577 -1.245 -6.288 1.00 0.00 C ATOM 0 HA ILE A 2 4.790 -2.796 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 2 6.720 -0.581 -3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.241 -2.606 -5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.791 -0.920 -5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.176 -2.414 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.931 -2.501 -2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.048 -3.609 -3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.040 -1.296 -7.235 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.955 -0.233 -6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.412 -1.945 -6.306 1.00 0.00 H new ATOM 37 N LYS A 3 6.108 -2.766 -0.562 1.00 0.00 N ATOM 38 CA LYS A 3 6.881 -2.805 0.688 1.00 0.00 C ATOM 39 C LYS A 3 8.364 -2.933 0.328 1.00 0.00 C ATOM 40 O LYS A 3 8.875 -4.043 0.114 1.00 0.00 O ATOM 41 CB LYS A 3 6.407 -3.979 1.583 1.00 0.00 C ATOM 42 CG LYS A 3 4.878 -4.040 1.746 1.00 0.00 C ATOM 43 CD LYS A 3 4.290 -2.761 2.384 1.00 0.00 C ATOM 44 CE LYS A 3 2.772 -2.838 2.588 1.00 0.00 C ATOM 45 NZ LYS A 3 2.389 -3.954 3.490 1.00 0.00 N ATOM 0 H LYS A 3 5.775 -3.682 -0.864 1.00 0.00 H new ATOM 0 HA LYS A 3 6.727 -1.890 1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.758 -4.918 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.867 -3.886 2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.420 -4.197 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.617 -4.900 2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.772 -2.586 3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.523 -1.905 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.414 -1.896 3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.282 -2.967 1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.386 -3.861 3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.538 -4.861 3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.974 -3.923 4.349 1.00 0.00 H new ATOM 59 N PHE A 4 9.019 -1.779 0.192 1.00 0.00 N ATOM 60 CA PHE A 4 10.420 -1.695 -0.234 1.00 0.00 C ATOM 61 C PHE A 4 11.340 -1.795 0.990 1.00 0.00 C ATOM 62 O PHE A 4 11.526 -0.821 1.730 1.00 0.00 O ATOM 63 CB PHE A 4 10.679 -0.384 -1.032 1.00 0.00 C ATOM 64 CG PHE A 4 12.142 -0.187 -1.452 1.00 0.00 C ATOM 65 CD1 PHE A 4 12.807 -1.163 -2.197 1.00 0.00 C ATOM 66 CD2 PHE A 4 12.859 0.950 -1.070 1.00 0.00 C ATOM 67 CE1 PHE A 4 14.133 -1.005 -2.552 1.00 0.00 C ATOM 68 CE2 PHE A 4 14.186 1.103 -1.427 1.00 0.00 C ATOM 69 CZ PHE A 4 14.822 0.126 -2.164 1.00 0.00 C ATOM 0 H PHE A 4 8.592 -0.871 0.375 1.00 0.00 H new ATOM 0 HA PHE A 4 10.639 -2.529 -0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.053 -0.384 -1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.369 0.466 -0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.277 -2.054 -2.500 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.371 1.718 -0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.631 -1.767 -3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.726 1.989 -1.128 1.00 0.00 H new ATOM 0 HZ PHE A 4 15.860 0.246 -2.438 1.00 0.00 H new ATOM 79 N TYR A 5 11.885 -2.991 1.202 1.00 0.00 N ATOM 80 CA TYR A 5 12.871 -3.239 2.249 1.00 0.00 C ATOM 81 C TYR A 5 14.265 -2.798 1.769 1.00 0.00 C ATOM 82 O TYR A 5 14.680 -3.089 0.637 1.00 0.00 O ATOM 83 CB TYR A 5 12.860 -4.723 2.653 1.00 0.00 C ATOM 84 CG TYR A 5 11.580 -5.157 3.396 1.00 0.00 C ATOM 85 CD1 TYR A 5 10.416 -5.494 2.700 1.00 0.00 C ATOM 86 CD2 TYR A 5 11.543 -5.239 4.790 1.00 0.00 C ATOM 87 CE1 TYR A 5 9.274 -5.904 3.360 1.00 0.00 C ATOM 88 CE2 TYR A 5 10.401 -5.643 5.454 1.00 0.00 C ATOM 89 CZ TYR A 5 9.272 -5.980 4.735 1.00 0.00 C ATOM 90 OH TYR A 5 8.136 -6.393 5.399 1.00 0.00 O ATOM 0 H TYR A 5 11.654 -3.817 0.650 1.00 0.00 H new ATOM 0 HA TYR A 5 12.614 -2.654 3.132 1.00 0.00 H new ATOM 0 HB2 TYR A 5 12.974 -5.334 1.758 1.00 0.00 H new ATOM 0 HB3 TYR A 5 13.723 -4.923 3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 5 10.409 -5.432 1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 5 12.424 -4.982 5.359 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.387 -6.164 2.801 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.392 -5.695 6.533 1.00 0.00 H new ATOM 0 HH TYR A 5 8.303 -6.392 6.365 1.00 0.00 H new ATOM 100 N GLN A 6 14.955 -2.076 2.646 1.00 0.00 N ATOM 101 CA GLN A 6 16.317 -1.580 2.436 1.00 0.00 C ATOM 102 C GLN A 6 17.032 -1.577 3.790 1.00 0.00 C ATOM 103 O GLN A 6 16.491 -2.080 4.757 1.00 0.00 O ATOM 104 CB GLN A 6 16.267 -0.155 1.820 1.00 0.00 C ATOM 105 CG GLN A 6 15.458 0.873 2.645 1.00 0.00 C ATOM 106 CD GLN A 6 15.548 2.310 2.115 1.00 0.00 C ATOM 107 OE1 GLN A 6 15.735 2.548 0.923 1.00 0.00 O ATOM 108 NE2 GLN A 6 15.417 3.280 3.003 1.00 0.00 N ATOM 0 H GLN A 6 14.572 -1.810 3.553 1.00 0.00 H new ATOM 0 HA GLN A 6 16.862 -2.219 1.741 1.00 0.00 H new ATOM 0 HB2 GLN A 6 17.286 0.213 1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.836 -0.220 0.821 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.412 0.568 2.661 1.00 0.00 H new ATOM 0 HG3 GLN A 6 15.811 0.854 3.676 1.00 0.00 H new ATOM 0 HE21 GLN A 6 15.263 3.054 3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 6 15.470 4.254 2.706 1.00 0.00 H new ATOM 117 N TYR A 7 18.260 -1.051 3.840 1.00 0.00 N ATOM 118 CA TYR A 7 18.953 -0.747 5.107 1.00 0.00 C ATOM 119 C TYR A 7 20.254 -0.011 4.817 1.00 0.00 C ATOM 120 O TYR A 7 21.064 -0.500 4.014 1.00 0.00 O ATOM 121 CB TYR A 7 19.268 -2.014 5.956 1.00 0.00 C ATOM 122 CG TYR A 7 19.898 -1.687 7.324 1.00 0.00 C ATOM 123 CD1 TYR A 7 19.143 -1.075 8.328 1.00 0.00 C ATOM 124 CD2 TYR A 7 21.242 -1.955 7.597 1.00 0.00 C ATOM 125 CE1 TYR A 7 19.701 -0.745 9.545 1.00 0.00 C ATOM 126 CE2 TYR A 7 21.801 -1.635 8.817 1.00 0.00 C ATOM 127 CZ TYR A 7 21.027 -1.029 9.785 1.00 0.00 C ATOM 128 OH TYR A 7 21.585 -0.689 10.995 1.00 0.00 O ATOM 0 H TYR A 7 18.805 -0.823 3.008 1.00 0.00 H new ATOM 0 HA TYR A 7 18.273 -0.126 5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.348 -2.577 6.112 1.00 0.00 H new ATOM 0 HB3 TYR A 7 19.945 -2.659 5.396 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.101 -0.856 8.147 1.00 0.00 H new ATOM 0 HD2 TYR A 7 21.854 -2.421 6.839 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.102 -0.267 10.306 1.00 0.00 H new ATOM 0 HE2 TYR A 7 22.839 -1.858 9.013 1.00 0.00 H new ATOM 0 HH TYR A 7 22.527 -0.958 11.008 1.00 0.00 H new ATOM 213 N CYS A 13 19.892 0.296 -2.871 1.00 0.00 N ATOM 214 CA CYS A 13 18.678 0.894 -2.285 1.00 0.00 C ATOM 215 C CYS A 13 18.355 2.241 -2.966 1.00 0.00 C ATOM 216 O CYS A 13 17.191 2.552 -3.210 1.00 0.00 O ATOM 217 CB CYS A 13 18.866 1.087 -0.763 1.00 0.00 C ATOM 218 SG CYS A 13 19.318 -0.424 0.127 1.00 0.00 S ATOM 0 HA CYS A 13 17.839 0.219 -2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 13 19.638 1.838 -0.596 1.00 0.00 H new ATOM 0 HB3 CYS A 13 17.941 1.481 -0.341 1.00 0.00 H new ATOM 0 HG CYS A 13 19.858 -0.111 1.267 1.00 0.00 H new ATOM 224 N LYS A 14 19.415 3.011 -3.294 1.00 0.00 N ATOM 225 CA LYS A 14 19.292 4.309 -3.989 1.00 0.00 C ATOM 226 C LYS A 14 18.866 4.116 -5.458 1.00 0.00 C ATOM 227 O LYS A 14 18.106 4.919 -5.990 1.00 0.00 O ATOM 228 CB LYS A 14 20.632 5.099 -3.919 1.00 0.00 C ATOM 229 CG LYS A 14 21.109 5.435 -2.483 1.00 0.00 C ATOM 230 CD LYS A 14 20.109 6.328 -1.703 1.00 0.00 C ATOM 231 CE LYS A 14 19.926 7.725 -2.332 1.00 0.00 C ATOM 232 NZ LYS A 14 18.893 8.527 -1.626 1.00 0.00 N ATOM 0 H LYS A 14 20.378 2.750 -3.084 1.00 0.00 H new ATOM 0 HA LYS A 14 18.518 4.885 -3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 14 21.407 4.518 -4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 14 20.520 6.028 -4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 14 21.265 4.508 -1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 14 22.073 5.940 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.142 5.827 -1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 14 20.457 6.441 -0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 14 20.876 8.259 -2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 14 19.646 7.616 -3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.804 9.457 -2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.980 8.031 -1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.172 8.654 -0.632 1.00 0.00 H new ATOM 246 N LYS A 15 19.362 3.032 -6.089 1.00 0.00 N ATOM 247 CA LYS A 15 19.045 2.679 -7.490 1.00 0.00 C ATOM 248 C LYS A 15 17.553 2.340 -7.626 1.00 0.00 C ATOM 249 O LYS A 15 16.855 2.861 -8.502 1.00 0.00 O ATOM 250 CB LYS A 15 19.892 1.453 -7.960 1.00 0.00 C ATOM 251 CG LYS A 15 21.437 1.635 -8.053 1.00 0.00 C ATOM 252 CD LYS A 15 21.939 2.290 -9.369 1.00 0.00 C ATOM 253 CE LYS A 15 21.661 3.797 -9.468 1.00 0.00 C ATOM 254 NZ LYS A 15 22.182 4.373 -10.727 1.00 0.00 N ATOM 0 H LYS A 15 19.997 2.373 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 15 19.286 3.539 -8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.692 0.626 -7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.530 1.152 -8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.768 2.244 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.911 0.659 -7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 15 23.012 2.123 -9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.467 1.789 -10.214 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.587 3.973 -9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.117 4.307 -8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.974 5.392 -10.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.211 4.228 -10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.728 3.905 -11.537 1.00 0.00 H new ATOM 268 N ALA A 16 17.097 1.468 -6.717 1.00 0.00 N ATOM 269 CA ALA A 16 15.728 0.944 -6.699 1.00 0.00 C ATOM 270 C ALA A 16 14.719 2.045 -6.350 1.00 0.00 C ATOM 271 O ALA A 16 13.722 2.215 -7.050 1.00 0.00 O ATOM 272 CB ALA A 16 15.640 -0.217 -5.705 1.00 0.00 C ATOM 0 H ALA A 16 17.679 1.102 -5.963 1.00 0.00 H new ATOM 0 HA ALA A 16 15.476 0.579 -7.695 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.622 -0.607 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.328 -1.007 -6.007 1.00 0.00 H new ATOM 0 HB3 ALA A 16 15.907 0.136 -4.709 1.00 0.00 H new ATOM 278 N ALA A 17 15.023 2.812 -5.286 1.00 0.00 N ATOM 279 CA ALA A 17 14.163 3.921 -4.815 1.00 0.00 C ATOM 280 C ALA A 17 14.045 5.020 -5.886 1.00 0.00 C ATOM 281 O ALA A 17 12.968 5.589 -6.074 1.00 0.00 O ATOM 282 CB ALA A 17 14.699 4.513 -3.505 1.00 0.00 C ATOM 0 H ALA A 17 15.868 2.683 -4.729 1.00 0.00 H new ATOM 0 HA ALA A 17 13.170 3.513 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.049 5.326 -3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.722 3.739 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.707 4.896 -3.664 1.00 0.00 H new ATOM 288 N LYS A 18 15.170 5.287 -6.588 1.00 0.00 N ATOM 289 CA LYS A 18 15.218 6.246 -7.712 1.00 0.00 C ATOM 290 C LYS A 18 14.366 5.758 -8.890 1.00 0.00 C ATOM 291 O LYS A 18 13.662 6.548 -9.487 1.00 0.00 O ATOM 292 CB LYS A 18 16.679 6.484 -8.205 1.00 0.00 C ATOM 293 CG LYS A 18 16.862 7.358 -9.494 1.00 0.00 C ATOM 294 CD LYS A 18 16.804 8.902 -9.267 1.00 0.00 C ATOM 295 CE LYS A 18 15.385 9.462 -9.035 1.00 0.00 C ATOM 296 NZ LYS A 18 14.479 9.219 -10.195 1.00 0.00 N ATOM 0 H LYS A 18 16.067 4.844 -6.391 1.00 0.00 H new ATOM 0 HA LYS A 18 14.815 7.187 -7.338 1.00 0.00 H new ATOM 0 HB2 LYS A 18 17.237 6.954 -7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 18 17.138 5.512 -8.387 1.00 0.00 H new ATOM 0 HG2 LYS A 18 17.821 7.110 -9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.089 7.084 -10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.425 9.154 -8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.241 9.400 -10.133 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.958 9.004 -8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.447 10.533 -8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.763 9.972 -10.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.034 9.216 -11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.007 8.299 -10.080 1.00 0.00 H new ATOM 310 N PHE A 19 14.451 4.455 -9.208 1.00 0.00 N ATOM 311 CA PHE A 19 13.796 3.860 -10.393 1.00 0.00 C ATOM 312 C PHE A 19 12.258 3.806 -10.212 1.00 0.00 C ATOM 313 O PHE A 19 11.491 4.103 -11.147 1.00 0.00 O ATOM 314 CB PHE A 19 14.382 2.452 -10.660 1.00 0.00 C ATOM 315 CG PHE A 19 14.033 1.883 -12.032 1.00 0.00 C ATOM 316 CD1 PHE A 19 14.806 2.200 -13.152 1.00 0.00 C ATOM 317 CD2 PHE A 19 12.939 1.044 -12.208 1.00 0.00 C ATOM 318 CE1 PHE A 19 14.492 1.692 -14.398 1.00 0.00 C ATOM 319 CE2 PHE A 19 12.633 0.539 -13.452 1.00 0.00 C ATOM 320 CZ PHE A 19 13.405 0.859 -14.546 1.00 0.00 C ATOM 0 H PHE A 19 14.976 3.781 -8.651 1.00 0.00 H new ATOM 0 HA PHE A 19 13.995 4.490 -11.260 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.467 2.497 -10.562 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.021 1.768 -9.892 1.00 0.00 H new ATOM 0 HD1 PHE A 19 15.661 2.851 -13.042 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.322 0.785 -11.360 1.00 0.00 H new ATOM 0 HE1 PHE A 19 15.098 1.948 -15.255 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.780 -0.113 -13.570 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.159 0.458 -15.518 1.00 0.00 H new ATOM 330 N LEU A 20 11.834 3.428 -8.996 1.00 0.00 N ATOM 331 CA LEU A 20 10.419 3.450 -8.581 1.00 0.00 C ATOM 332 C LEU A 20 9.888 4.893 -8.653 1.00 0.00 C ATOM 333 O LEU A 20 8.866 5.152 -9.277 1.00 0.00 O ATOM 334 CB LEU A 20 10.274 2.857 -7.148 1.00 0.00 C ATOM 335 CG LEU A 20 10.626 1.334 -7.011 1.00 0.00 C ATOM 336 CD1 LEU A 20 10.731 0.897 -5.531 1.00 0.00 C ATOM 337 CD2 LEU A 20 9.608 0.456 -7.773 1.00 0.00 C ATOM 0 H LEU A 20 12.466 3.096 -8.267 1.00 0.00 H new ATOM 0 HA LEU A 20 9.825 2.833 -9.255 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.915 3.423 -6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.248 3.007 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 20 11.607 1.190 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.976 -0.164 -5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.512 1.473 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.778 1.073 -5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.877 -0.594 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.610 0.620 -7.367 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.618 0.722 -8.830 1.00 0.00 H new ATOM 349 N ASP A 21 10.652 5.833 -8.071 1.00 0.00 N ATOM 350 CA ASP A 21 10.367 7.287 -8.147 1.00 0.00 C ATOM 351 C ASP A 21 10.345 7.797 -9.610 1.00 0.00 C ATOM 352 O ASP A 21 9.527 8.650 -9.967 1.00 0.00 O ATOM 353 CB ASP A 21 11.429 8.067 -7.327 1.00 0.00 C ATOM 354 CG ASP A 21 11.314 9.597 -7.457 1.00 0.00 C ATOM 355 OD1 ASP A 21 10.441 10.195 -6.791 1.00 0.00 O ATOM 356 OD2 ASP A 21 12.091 10.210 -8.231 1.00 0.00 O ATOM 0 H ASP A 21 11.489 5.611 -7.531 1.00 0.00 H new ATOM 0 HA ASP A 21 9.375 7.458 -7.728 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.336 7.793 -6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.423 7.758 -7.650 1.00 0.00 H new ATOM 361 N GLU A 22 11.231 7.225 -10.437 1.00 0.00 N ATOM 362 CA GLU A 22 11.447 7.628 -11.838 1.00 0.00 C ATOM 363 C GLU A 22 10.176 7.381 -12.671 1.00 0.00 C ATOM 364 O GLU A 22 9.770 8.209 -13.493 1.00 0.00 O ATOM 365 CB GLU A 22 12.640 6.820 -12.429 1.00 0.00 C ATOM 366 CG GLU A 22 13.176 7.318 -13.775 1.00 0.00 C ATOM 367 CD GLU A 22 13.917 8.660 -13.660 1.00 0.00 C ATOM 368 OE1 GLU A 22 15.025 8.682 -13.068 1.00 0.00 O ATOM 369 OE2 GLU A 22 13.409 9.691 -14.149 1.00 0.00 O ATOM 0 H GLU A 22 11.831 6.453 -10.147 1.00 0.00 H new ATOM 0 HA GLU A 22 11.677 8.693 -11.872 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.456 6.831 -11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.330 5.781 -12.544 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.851 6.570 -14.192 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.347 7.424 -14.474 1.00 0.00 H new ATOM 376 N TYR A 23 9.550 6.225 -12.420 1.00 0.00 N ATOM 377 CA TYR A 23 8.300 5.813 -13.083 1.00 0.00 C ATOM 378 C TYR A 23 7.048 6.202 -12.272 1.00 0.00 C ATOM 379 O TYR A 23 5.936 5.797 -12.625 1.00 0.00 O ATOM 380 CB TYR A 23 8.361 4.297 -13.371 1.00 0.00 C ATOM 381 CG TYR A 23 9.228 3.953 -14.593 1.00 0.00 C ATOM 382 CD1 TYR A 23 10.621 4.055 -14.545 1.00 0.00 C ATOM 383 CD2 TYR A 23 8.648 3.546 -15.802 1.00 0.00 C ATOM 384 CE1 TYR A 23 11.398 3.764 -15.649 1.00 0.00 C ATOM 385 CE2 TYR A 23 9.423 3.246 -16.903 1.00 0.00 C ATOM 386 CZ TYR A 23 10.799 3.356 -16.823 1.00 0.00 C ATOM 387 OH TYR A 23 11.578 3.071 -17.924 1.00 0.00 O ATOM 0 H TYR A 23 9.897 5.542 -11.747 1.00 0.00 H new ATOM 0 HA TYR A 23 8.210 6.351 -14.027 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.756 3.782 -12.495 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.350 3.922 -13.532 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.098 4.367 -13.628 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.573 3.466 -15.873 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.473 3.856 -15.593 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.957 2.927 -17.823 1.00 0.00 H new ATOM 0 HH TYR A 23 11.003 2.797 -18.669 1.00 0.00 H new ATOM 397 N GLY A 24 7.235 7.013 -11.206 1.00 0.00 N ATOM 398 CA GLY A 24 6.120 7.492 -10.369 1.00 0.00 C ATOM 399 C GLY A 24 5.448 6.394 -9.537 1.00 0.00 C ATOM 400 O GLY A 24 4.352 6.588 -9.001 1.00 0.00 O ATOM 0 H GLY A 24 8.151 7.348 -10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.490 8.267 -9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.371 7.957 -11.011 1.00 0.00 H new ATOM 404 N VAL A 25 6.118 5.240 -9.447 1.00 0.00 N ATOM 405 CA VAL A 25 5.650 4.054 -8.720 1.00 0.00 C ATOM 406 C VAL A 25 5.889 4.238 -7.208 1.00 0.00 C ATOM 407 O VAL A 25 7.008 4.561 -6.779 1.00 0.00 O ATOM 408 CB VAL A 25 6.392 2.771 -9.246 1.00 0.00 C ATOM 409 CG1 VAL A 25 5.966 1.501 -8.482 1.00 0.00 C ATOM 410 CG2 VAL A 25 6.176 2.595 -10.769 1.00 0.00 C ATOM 0 H VAL A 25 7.026 5.101 -9.890 1.00 0.00 H new ATOM 0 HA VAL A 25 4.581 3.928 -8.891 1.00 0.00 H new ATOM 0 HB VAL A 25 7.456 2.917 -9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.504 0.640 -8.879 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.199 1.618 -7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.894 1.346 -8.603 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.699 1.701 -11.110 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.111 2.494 -10.976 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.566 3.466 -11.295 1.00 0.00 H new ATOM 420 N SER A 26 4.820 4.048 -6.422 1.00 0.00 N ATOM 421 CA SER A 26 4.832 4.248 -4.969 1.00 0.00 C ATOM 422 C SER A 26 5.460 3.040 -4.255 1.00 0.00 C ATOM 423 O SER A 26 5.283 1.890 -4.679 1.00 0.00 O ATOM 424 CB SER A 26 3.394 4.489 -4.465 1.00 0.00 C ATOM 425 OG SER A 26 3.377 4.819 -3.086 1.00 0.00 O ATOM 0 H SER A 26 3.914 3.748 -6.782 1.00 0.00 H new ATOM 0 HA SER A 26 5.440 5.124 -4.741 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.936 5.295 -5.039 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.793 3.595 -4.634 1.00 0.00 H new ATOM 0 HG SER A 26 2.453 4.968 -2.797 1.00 0.00 H new ATOM 431 N TYR A 27 6.169 3.319 -3.153 1.00 0.00 N ATOM 432 CA TYR A 27 6.863 2.298 -2.350 1.00 0.00 C ATOM 433 C TYR A 27 6.866 2.697 -0.859 1.00 0.00 C ATOM 434 O TYR A 27 6.548 3.839 -0.510 1.00 0.00 O ATOM 435 CB TYR A 27 8.306 2.066 -2.885 1.00 0.00 C ATOM 436 CG TYR A 27 9.233 3.300 -2.866 1.00 0.00 C ATOM 437 CD1 TYR A 27 9.167 4.271 -3.871 1.00 0.00 C ATOM 438 CD2 TYR A 27 10.177 3.486 -1.849 1.00 0.00 C ATOM 439 CE1 TYR A 27 10.003 5.372 -3.865 1.00 0.00 C ATOM 440 CE2 TYR A 27 11.013 4.587 -1.839 1.00 0.00 C ATOM 441 CZ TYR A 27 10.922 5.529 -2.848 1.00 0.00 C ATOM 442 OH TYR A 27 11.760 6.630 -2.839 1.00 0.00 O ATOM 0 H TYR A 27 6.279 4.266 -2.789 1.00 0.00 H new ATOM 0 HA TYR A 27 6.325 1.354 -2.441 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.770 1.276 -2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.239 1.700 -3.910 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.448 4.158 -4.669 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.254 2.755 -1.057 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.937 6.107 -4.654 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.735 4.711 -1.046 1.00 0.00 H new ATOM 0 HH TYR A 27 12.345 6.589 -2.054 1.00 0.00 H new ATOM 452 N GLU A 28 7.236 1.743 0.006 1.00 0.00 N ATOM 453 CA GLU A 28 7.283 1.923 1.466 1.00 0.00 C ATOM 454 C GLU A 28 8.724 1.643 1.933 1.00 0.00 C ATOM 455 O GLU A 28 9.101 0.474 2.028 1.00 0.00 O ATOM 456 CB GLU A 28 6.267 0.969 2.169 1.00 0.00 C ATOM 457 CG GLU A 28 6.301 1.025 3.712 1.00 0.00 C ATOM 458 CD GLU A 28 5.215 0.168 4.381 1.00 0.00 C ATOM 459 OE1 GLU A 28 4.033 0.570 4.363 1.00 0.00 O ATOM 460 OE2 GLU A 28 5.522 -0.915 4.911 1.00 0.00 O ATOM 0 H GLU A 28 7.516 0.809 -0.293 1.00 0.00 H new ATOM 0 HA GLU A 28 7.002 2.942 1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.261 1.217 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.468 -0.054 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.280 0.692 4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.184 2.060 4.033 1.00 0.00 H new ATOM 467 N PRO A 29 9.571 2.706 2.155 1.00 0.00 N ATOM 468 CA PRO A 29 10.966 2.537 2.619 1.00 0.00 C ATOM 469 C PRO A 29 11.031 2.094 4.104 1.00 0.00 C ATOM 470 O PRO A 29 10.938 2.913 5.026 1.00 0.00 O ATOM 471 CB PRO A 29 11.594 3.943 2.388 1.00 0.00 C ATOM 472 CG PRO A 29 10.433 4.889 2.496 1.00 0.00 C ATOM 473 CD PRO A 29 9.233 4.142 1.947 1.00 0.00 C ATOM 0 HA PRO A 29 11.501 1.751 2.086 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.359 4.165 3.133 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.072 4.010 1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.267 5.187 3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.618 5.801 1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.318 4.416 2.473 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.073 4.365 0.892 1.00 0.00 H new ATOM 481 N ILE A 30 11.120 0.776 4.312 1.00 0.00 N ATOM 482 CA ILE A 30 11.262 0.149 5.640 1.00 0.00 C ATOM 483 C ILE A 30 12.573 -0.637 5.676 1.00 0.00 C ATOM 484 O ILE A 30 12.999 -1.183 4.660 1.00 0.00 O ATOM 485 CB ILE A 30 10.032 -0.795 5.971 1.00 0.00 C ATOM 486 CG1 ILE A 30 9.621 -1.631 4.706 1.00 0.00 C ATOM 487 CG2 ILE A 30 8.841 0.024 6.531 1.00 0.00 C ATOM 488 CD1 ILE A 30 8.430 -2.549 4.888 1.00 0.00 C ATOM 0 H ILE A 30 11.095 0.098 3.550 1.00 0.00 H new ATOM 0 HA ILE A 30 11.279 0.929 6.401 1.00 0.00 H new ATOM 0 HB ILE A 30 10.334 -1.498 6.747 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.404 -0.941 3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.476 -2.232 4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.010 -0.646 6.750 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.147 0.533 7.445 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.527 0.762 5.792 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.232 -3.078 3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.644 -3.271 5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.555 -1.960 5.163 1.00 0.00 H new ATOM 500 N ASP A 31 13.229 -0.667 6.841 1.00 0.00 N ATOM 501 CA ASP A 31 14.504 -1.386 7.009 1.00 0.00 C ATOM 502 C ASP A 31 14.270 -2.897 7.105 1.00 0.00 C ATOM 503 O ASP A 31 13.247 -3.340 7.613 1.00 0.00 O ATOM 504 CB ASP A 31 15.268 -0.890 8.243 1.00 0.00 C ATOM 505 CG ASP A 31 15.684 0.585 8.139 1.00 0.00 C ATOM 506 OD1 ASP A 31 16.636 0.886 7.387 1.00 0.00 O ATOM 507 OD2 ASP A 31 15.064 1.448 8.800 1.00 0.00 O ATOM 0 H ASP A 31 12.899 -0.201 7.686 1.00 0.00 H new ATOM 0 HA ASP A 31 15.112 -1.181 6.128 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.645 -1.025 9.127 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.158 -1.504 8.383 1.00 0.00 H new ATOM 512 N ILE A 32 15.258 -3.666 6.636 1.00 0.00 N ATOM 513 CA ILE A 32 15.172 -5.133 6.517 1.00 0.00 C ATOM 514 C ILE A 32 15.528 -5.820 7.853 1.00 0.00 C ATOM 515 O ILE A 32 15.062 -6.921 8.129 1.00 0.00 O ATOM 516 CB ILE A 32 16.122 -5.647 5.369 1.00 0.00 C ATOM 517 CG1 ILE A 32 15.900 -7.168 5.050 1.00 0.00 C ATOM 518 CG2 ILE A 32 17.603 -5.354 5.696 1.00 0.00 C ATOM 519 CD1 ILE A 32 14.615 -7.483 4.307 1.00 0.00 C ATOM 0 H ILE A 32 16.152 -3.287 6.324 1.00 0.00 H new ATOM 0 HA ILE A 32 14.143 -5.391 6.266 1.00 0.00 H new ATOM 0 HB ILE A 32 15.859 -5.093 4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.742 -7.527 4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.907 -7.726 5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 32 18.234 -5.720 4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 32 17.745 -4.279 5.809 1.00 0.00 H new ATOM 0 HG23 ILE A 32 17.877 -5.856 6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.550 -8.557 4.132 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.762 -7.160 4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.609 -6.959 3.351 1.00 0.00 H new ATOM 531 N VAL A 33 16.386 -5.168 8.671 1.00 0.00 N ATOM 532 CA VAL A 33 16.819 -5.718 9.982 1.00 0.00 C ATOM 533 C VAL A 33 16.052 -5.054 11.144 1.00 0.00 C ATOM 534 O VAL A 33 15.726 -5.708 12.140 1.00 0.00 O ATOM 535 CB VAL A 33 18.380 -5.595 10.196 1.00 0.00 C ATOM 536 CG1 VAL A 33 18.831 -4.132 10.403 1.00 0.00 C ATOM 537 CG2 VAL A 33 18.882 -6.522 11.342 1.00 0.00 C ATOM 0 H VAL A 33 16.794 -4.260 8.449 1.00 0.00 H new ATOM 0 HA VAL A 33 16.578 -6.781 9.974 1.00 0.00 H new ATOM 0 HB VAL A 33 18.849 -5.939 9.274 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.911 -4.101 10.546 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.564 -3.541 9.527 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.337 -3.720 11.283 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.960 -6.408 11.457 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.387 -6.249 12.274 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.651 -7.559 11.099 1.00 0.00 H new ATOM 547 N GLN A 34 15.768 -3.748 10.999 1.00 0.00 N ATOM 548 CA GLN A 34 15.021 -2.967 12.005 1.00 0.00 C ATOM 549 C GLN A 34 13.536 -3.382 11.972 1.00 0.00 C ATOM 550 O GLN A 34 12.871 -3.465 13.012 1.00 0.00 O ATOM 551 CB GLN A 34 15.183 -1.454 11.711 1.00 0.00 C ATOM 552 CG GLN A 34 14.630 -0.491 12.776 1.00 0.00 C ATOM 553 CD GLN A 34 14.536 0.955 12.269 1.00 0.00 C ATOM 554 OE1 GLN A 34 13.504 1.374 11.745 1.00 0.00 O ATOM 555 NE2 GLN A 34 15.625 1.701 12.366 1.00 0.00 N ATOM 0 H GLN A 34 16.048 -3.203 10.183 1.00 0.00 H new ATOM 0 HA GLN A 34 15.415 -3.166 13.002 1.00 0.00 H new ATOM 0 HB2 GLN A 34 16.244 -1.243 11.576 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.692 -1.235 10.763 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.642 -0.828 13.088 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.270 -0.523 13.657 1.00 0.00 H new ATOM 0 HE21 GLN A 34 16.464 1.324 12.806 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.625 2.653 12.001 1.00 0.00 H new ATOM 564 N HIS A 35 13.040 -3.644 10.748 1.00 0.00 N ATOM 565 CA HIS A 35 11.687 -4.171 10.498 1.00 0.00 C ATOM 566 C HIS A 35 11.805 -5.506 9.740 1.00 0.00 C ATOM 567 O HIS A 35 11.372 -5.618 8.587 1.00 0.00 O ATOM 568 CB HIS A 35 10.821 -3.140 9.695 1.00 0.00 C ATOM 569 CG HIS A 35 10.396 -1.919 10.467 1.00 0.00 C ATOM 570 ND1 HIS A 35 9.082 -1.664 10.793 1.00 0.00 N ATOM 571 CD2 HIS A 35 11.103 -0.870 10.960 1.00 0.00 C ATOM 572 CE1 HIS A 35 8.999 -0.534 11.454 1.00 0.00 C ATOM 573 NE2 HIS A 35 10.210 -0.027 11.576 1.00 0.00 N ATOM 0 H HIS A 35 13.576 -3.493 9.894 1.00 0.00 H new ATOM 0 HA HIS A 35 11.183 -4.340 11.449 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.386 -2.818 8.820 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.928 -3.647 9.329 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.170 -0.725 10.882 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.090 -0.092 11.835 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.445 0.846 12.049 1.00 0.00 H new ATOM 582 N THR A 36 12.444 -6.512 10.379 1.00 0.00 N ATOM 583 CA THR A 36 12.571 -7.860 9.793 1.00 0.00 C ATOM 584 C THR A 36 11.196 -8.552 9.756 1.00 0.00 C ATOM 585 O THR A 36 10.488 -8.541 10.770 1.00 0.00 O ATOM 586 CB THR A 36 13.580 -8.771 10.588 1.00 0.00 C ATOM 587 OG1 THR A 36 14.759 -8.030 10.888 1.00 0.00 O ATOM 588 CG2 THR A 36 13.984 -10.026 9.781 1.00 0.00 C ATOM 0 H THR A 36 12.877 -6.414 11.297 1.00 0.00 H new ATOM 0 HA THR A 36 12.960 -7.729 8.783 1.00 0.00 H new ATOM 0 HB THR A 36 13.079 -9.092 11.501 1.00 0.00 H new ATOM 0 HG1 THR A 36 14.543 -7.312 11.519 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.681 -10.626 10.366 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.095 -10.616 9.557 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.461 -9.722 8.849 1.00 0.00 H new ATOM 596 N PRO A 37 10.761 -9.109 8.585 1.00 0.00 N ATOM 597 CA PRO A 37 9.581 -9.994 8.533 1.00 0.00 C ATOM 598 C PRO A 37 9.784 -11.228 9.440 1.00 0.00 C ATOM 599 O PRO A 37 10.910 -11.730 9.575 1.00 0.00 O ATOM 600 CB PRO A 37 9.475 -10.390 7.030 1.00 0.00 C ATOM 601 CG PRO A 37 10.237 -9.325 6.298 1.00 0.00 C ATOM 602 CD PRO A 37 11.351 -8.904 7.232 1.00 0.00 C ATOM 0 HA PRO A 37 8.671 -9.516 8.894 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.902 -11.377 6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.436 -10.428 6.703 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.637 -9.705 5.358 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.592 -8.481 6.052 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.246 -9.509 7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.639 -7.865 7.072 1.00 0.00 H new ATOM 610 N THR A 38 8.710 -11.677 10.099 1.00 0.00 N ATOM 611 CA THR A 38 8.733 -12.913 10.897 1.00 0.00 C ATOM 612 C THR A 38 8.704 -14.138 9.959 1.00 0.00 C ATOM 613 O THR A 38 8.561 -13.991 8.734 1.00 0.00 O ATOM 614 CB THR A 38 7.524 -12.962 11.893 1.00 0.00 C ATOM 615 OG1 THR A 38 6.281 -12.949 11.168 1.00 0.00 O ATOM 616 CG2 THR A 38 7.543 -11.787 12.893 1.00 0.00 C ATOM 0 H THR A 38 7.808 -11.201 10.096 1.00 0.00 H new ATOM 0 HA THR A 38 9.652 -12.930 11.484 1.00 0.00 H new ATOM 0 HB THR A 38 7.616 -13.888 12.460 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.533 -12.982 11.800 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.686 -11.865 13.562 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.463 -11.821 13.477 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.494 -10.844 12.348 1.00 0.00 H new ATOM 624 N ILE A 39 8.819 -15.343 10.546 1.00 0.00 N ATOM 625 CA ILE A 39 8.809 -16.625 9.799 1.00 0.00 C ATOM 626 C ILE A 39 7.494 -16.742 9.005 1.00 0.00 C ATOM 627 O ILE A 39 7.480 -17.185 7.851 1.00 0.00 O ATOM 628 CB ILE A 39 8.940 -17.848 10.783 1.00 0.00 C ATOM 629 CG1 ILE A 39 10.093 -17.611 11.821 1.00 0.00 C ATOM 630 CG2 ILE A 39 9.146 -19.173 10.004 1.00 0.00 C ATOM 631 CD1 ILE A 39 10.096 -18.560 13.006 1.00 0.00 C ATOM 0 H ILE A 39 8.922 -15.461 11.554 1.00 0.00 H new ATOM 0 HA ILE A 39 9.659 -16.638 9.117 1.00 0.00 H new ATOM 0 HB ILE A 39 8.006 -17.935 11.338 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.049 -17.696 11.305 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.021 -16.589 12.194 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.233 -20.000 10.709 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.294 -19.345 9.347 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.056 -19.107 9.408 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.929 -18.316 13.665 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.159 -18.461 13.554 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.202 -19.585 12.651 1.00 0.00 H new ATOM 643 N ASN A 40 6.411 -16.285 9.662 1.00 0.00 N ATOM 644 CA ASN A 40 5.058 -16.203 9.093 1.00 0.00 C ATOM 645 C ASN A 40 5.026 -15.261 7.877 1.00 0.00 C ATOM 646 O ASN A 40 4.551 -15.649 6.810 1.00 0.00 O ATOM 647 CB ASN A 40 4.053 -15.724 10.175 1.00 0.00 C ATOM 648 CG ASN A 40 2.619 -15.547 9.649 1.00 0.00 C ATOM 649 OD1 ASN A 40 1.835 -16.492 9.616 1.00 0.00 O ATOM 650 ND2 ASN A 40 2.266 -14.331 9.249 1.00 0.00 N ATOM 0 H ASN A 40 6.457 -15.955 10.626 1.00 0.00 H new ATOM 0 HA ASN A 40 4.768 -17.198 8.755 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.044 -16.443 10.994 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.400 -14.776 10.586 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.322 -14.162 8.903 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.939 -13.566 9.288 1.00 0.00 H new ATOM 657 N GLU A 41 5.566 -14.036 8.049 1.00 0.00 N ATOM 658 CA GLU A 41 5.555 -13.002 6.993 1.00 0.00 C ATOM 659 C GLU A 41 6.313 -13.473 5.741 1.00 0.00 C ATOM 660 O GLU A 41 5.864 -13.240 4.613 1.00 0.00 O ATOM 661 CB GLU A 41 6.166 -11.681 7.513 1.00 0.00 C ATOM 662 CG GLU A 41 5.406 -11.024 8.677 1.00 0.00 C ATOM 663 CD GLU A 41 3.937 -10.721 8.342 1.00 0.00 C ATOM 664 OE1 GLU A 41 3.678 -9.742 7.614 1.00 0.00 O ATOM 665 OE2 GLU A 41 3.042 -11.475 8.787 1.00 0.00 O ATOM 0 H GLU A 41 6.017 -13.738 8.914 1.00 0.00 H new ATOM 0 HA GLU A 41 4.515 -12.826 6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.191 -11.873 7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.217 -10.972 6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.446 -11.680 9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.908 -10.097 8.954 1.00 0.00 H new ATOM 672 N PHE A 42 7.444 -14.168 5.965 1.00 0.00 N ATOM 673 CA PHE A 42 8.256 -14.742 4.884 1.00 0.00 C ATOM 674 C PHE A 42 7.467 -15.819 4.122 1.00 0.00 C ATOM 675 O PHE A 42 7.253 -15.678 2.922 1.00 0.00 O ATOM 676 CB PHE A 42 9.600 -15.310 5.415 1.00 0.00 C ATOM 677 CG PHE A 42 10.684 -14.256 5.632 1.00 0.00 C ATOM 678 CD1 PHE A 42 11.174 -13.525 4.547 1.00 0.00 C ATOM 679 CD2 PHE A 42 11.205 -13.990 6.895 1.00 0.00 C ATOM 680 CE1 PHE A 42 12.150 -12.567 4.720 1.00 0.00 C ATOM 681 CE2 PHE A 42 12.182 -13.030 7.063 1.00 0.00 C ATOM 682 CZ PHE A 42 12.651 -12.319 5.978 1.00 0.00 C ATOM 0 H PHE A 42 7.817 -14.345 6.898 1.00 0.00 H new ATOM 0 HA PHE A 42 8.495 -13.936 4.190 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.416 -15.825 6.358 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.970 -16.055 4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.782 -13.713 3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.842 -14.540 7.751 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.521 -12.012 3.871 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.581 -12.835 8.047 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.413 -11.566 6.116 1.00 0.00 H new ATOM 692 N LYS A 43 6.982 -16.860 4.829 1.00 0.00 N ATOM 693 CA LYS A 43 6.263 -17.985 4.171 1.00 0.00 C ATOM 694 C LYS A 43 4.977 -17.512 3.463 1.00 0.00 C ATOM 695 O LYS A 43 4.548 -18.136 2.490 1.00 0.00 O ATOM 696 CB LYS A 43 5.956 -19.135 5.163 1.00 0.00 C ATOM 697 CG LYS A 43 5.059 -18.773 6.365 1.00 0.00 C ATOM 698 CD LYS A 43 4.900 -19.939 7.371 1.00 0.00 C ATOM 699 CE LYS A 43 6.234 -20.368 8.016 1.00 0.00 C ATOM 700 NZ LYS A 43 6.081 -21.508 8.954 1.00 0.00 N ATOM 0 H LYS A 43 7.070 -16.951 5.841 1.00 0.00 H new ATOM 0 HA LYS A 43 6.935 -18.377 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.480 -19.946 4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.901 -19.521 5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.481 -17.910 6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.075 -18.477 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.203 -19.642 8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.459 -20.795 6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.940 -20.641 7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.663 -19.520 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.968 -22.050 8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.857 -21.148 9.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.311 -22.126 8.627 1.00 0.00 H new ATOM 714 N THR A 44 4.402 -16.387 3.939 1.00 0.00 N ATOM 715 CA THR A 44 3.245 -15.755 3.289 1.00 0.00 C ATOM 716 C THR A 44 3.659 -15.168 1.925 1.00 0.00 C ATOM 717 O THR A 44 3.127 -15.573 0.888 1.00 0.00 O ATOM 718 CB THR A 44 2.610 -14.635 4.177 1.00 0.00 C ATOM 719 OG1 THR A 44 2.233 -15.179 5.452 1.00 0.00 O ATOM 720 CG2 THR A 44 1.369 -13.995 3.521 1.00 0.00 C ATOM 0 H THR A 44 4.725 -15.900 4.775 1.00 0.00 H new ATOM 0 HA THR A 44 2.491 -16.529 3.144 1.00 0.00 H new ATOM 0 HB THR A 44 3.365 -13.858 4.297 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.030 -15.277 6.014 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.967 -13.224 4.178 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.651 -13.548 2.568 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.611 -14.760 3.353 1.00 0.00 H new ATOM 728 N ILE A 45 4.666 -14.263 1.936 1.00 0.00 N ATOM 729 CA ILE A 45 5.097 -13.538 0.721 1.00 0.00 C ATOM 730 C ILE A 45 5.694 -14.497 -0.325 1.00 0.00 C ATOM 731 O ILE A 45 5.635 -14.216 -1.498 1.00 0.00 O ATOM 732 CB ILE A 45 6.114 -12.362 1.022 1.00 0.00 C ATOM 733 CG1 ILE A 45 7.511 -12.894 1.507 1.00 0.00 C ATOM 734 CG2 ILE A 45 5.505 -11.352 2.033 1.00 0.00 C ATOM 735 CD1 ILE A 45 8.552 -11.822 1.809 1.00 0.00 C ATOM 0 H ILE A 45 5.194 -14.019 2.774 1.00 0.00 H new ATOM 0 HA ILE A 45 4.193 -13.085 0.314 1.00 0.00 H new ATOM 0 HB ILE A 45 6.291 -11.836 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.360 -13.493 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.912 -13.560 0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.221 -10.553 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.591 -10.928 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.275 -11.865 2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.478 -12.296 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.742 -11.236 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.182 -11.167 2.598 1.00 0.00 H new ATOM 747 N ILE A 46 6.233 -15.638 0.124 1.00 0.00 N ATOM 748 CA ILE A 46 6.846 -16.652 -0.760 1.00 0.00 C ATOM 749 C ILE A 46 5.770 -17.586 -1.344 1.00 0.00 C ATOM 750 O ILE A 46 5.885 -18.035 -2.486 1.00 0.00 O ATOM 751 CB ILE A 46 7.959 -17.438 0.028 1.00 0.00 C ATOM 752 CG1 ILE A 46 9.103 -16.443 0.422 1.00 0.00 C ATOM 753 CG2 ILE A 46 8.518 -18.648 -0.772 1.00 0.00 C ATOM 754 CD1 ILE A 46 9.940 -16.874 1.582 1.00 0.00 C ATOM 0 H ILE A 46 6.259 -15.889 1.112 1.00 0.00 H new ATOM 0 HA ILE A 46 7.324 -16.158 -1.606 1.00 0.00 H new ATOM 0 HB ILE A 46 7.508 -17.857 0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.752 -16.298 -0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.659 -15.475 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.282 -19.153 -0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.709 -19.345 -0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.956 -18.296 -1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.704 -16.122 1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.309 -16.990 2.463 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.419 -17.826 1.351 1.00 0.00 H new ATOM 766 N ALA A 47 4.708 -17.853 -0.560 1.00 0.00 N ATOM 767 CA ALA A 47 3.524 -18.597 -1.057 1.00 0.00 C ATOM 768 C ALA A 47 2.721 -17.745 -2.067 1.00 0.00 C ATOM 769 O ALA A 47 2.047 -18.283 -2.950 1.00 0.00 O ATOM 770 CB ALA A 47 2.633 -19.039 0.115 1.00 0.00 C ATOM 0 H ALA A 47 4.641 -17.568 0.417 1.00 0.00 H new ATOM 0 HA ALA A 47 3.875 -19.489 -1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.770 -19.583 -0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.203 -19.687 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.293 -18.161 0.665 1.00 0.00 H new ATOM 776 N ASN A 48 2.814 -16.409 -1.921 1.00 0.00 N ATOM 777 CA ASN A 48 2.119 -15.441 -2.796 1.00 0.00 C ATOM 778 C ASN A 48 2.911 -15.198 -4.100 1.00 0.00 C ATOM 779 O ASN A 48 2.407 -15.453 -5.200 1.00 0.00 O ATOM 780 CB ASN A 48 1.888 -14.102 -2.033 1.00 0.00 C ATOM 781 CG ASN A 48 0.807 -14.152 -0.933 1.00 0.00 C ATOM 782 OD1 ASN A 48 0.610 -15.296 -0.292 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 0.153 -13.146 -0.650 1.00 0.00 N flip ATOM 0 H ASN A 48 3.374 -15.968 -1.191 1.00 0.00 H new ATOM 0 HA ASN A 48 1.151 -15.860 -3.071 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.830 -13.793 -1.581 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.614 -13.333 -2.755 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.316 -12.273 -1.152 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.551 -13.186 0.087 1.00 0.00 H new ATOM 790 N THR A 49 4.156 -14.719 -3.957 1.00 0.00 N ATOM 791 CA THR A 49 5.005 -14.299 -5.090 1.00 0.00 C ATOM 792 C THR A 49 5.601 -15.502 -5.828 1.00 0.00 C ATOM 793 O THR A 49 5.829 -15.452 -7.046 1.00 0.00 O ATOM 794 CB THR A 49 6.174 -13.375 -4.615 1.00 0.00 C ATOM 795 OG1 THR A 49 7.081 -14.119 -3.783 1.00 0.00 O ATOM 796 CG2 THR A 49 5.673 -12.147 -3.830 1.00 0.00 C ATOM 0 H THR A 49 4.607 -14.610 -3.049 1.00 0.00 H new ATOM 0 HA THR A 49 4.357 -13.746 -5.770 1.00 0.00 H new ATOM 0 HB THR A 49 6.680 -13.019 -5.512 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.628 -14.376 -2.953 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.524 -11.539 -3.524 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.013 -11.554 -4.464 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.127 -12.478 -2.947 1.00 0.00 H new ATOM 804 N GLY A 50 5.857 -16.579 -5.067 1.00 0.00 N ATOM 805 CA GLY A 50 6.548 -17.757 -5.586 1.00 0.00 C ATOM 806 C GLY A 50 8.044 -17.528 -5.744 1.00 0.00 C ATOM 807 O GLY A 50 8.685 -18.164 -6.592 1.00 0.00 O ATOM 0 H GLY A 50 5.591 -16.652 -4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.381 -18.599 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 50 6.121 -18.030 -6.551 1.00 0.00 H new ATOM 811 N VAL A 51 8.601 -16.603 -4.930 1.00 0.00 N ATOM 812 CA VAL A 51 10.032 -16.255 -4.980 1.00 0.00 C ATOM 813 C VAL A 51 10.872 -17.375 -4.351 1.00 0.00 C ATOM 814 O VAL A 51 10.410 -18.066 -3.433 1.00 0.00 O ATOM 815 CB VAL A 51 10.329 -14.870 -4.270 1.00 0.00 C ATOM 816 CG1 VAL A 51 10.066 -14.912 -2.743 1.00 0.00 C ATOM 817 CG2 VAL A 51 11.762 -14.367 -4.573 1.00 0.00 C ATOM 0 H VAL A 51 8.074 -16.083 -4.228 1.00 0.00 H new ATOM 0 HA VAL A 51 10.310 -16.147 -6.028 1.00 0.00 H new ATOM 0 HB VAL A 51 9.624 -14.155 -4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.286 -13.937 -2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.021 -15.163 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.706 -15.666 -2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.928 -13.415 -4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.487 -15.098 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.881 -14.234 -5.648 1.00 0.00 H new ATOM 827 N GLU A 52 12.082 -17.577 -4.886 1.00 0.00 N ATOM 828 CA GLU A 52 13.046 -18.522 -4.335 1.00 0.00 C ATOM 829 C GLU A 52 13.486 -18.072 -2.936 1.00 0.00 C ATOM 830 O GLU A 52 13.965 -16.949 -2.755 1.00 0.00 O ATOM 831 CB GLU A 52 14.271 -18.679 -5.268 1.00 0.00 C ATOM 832 CG GLU A 52 13.988 -19.394 -6.608 1.00 0.00 C ATOM 833 CD GLU A 52 13.599 -18.449 -7.768 1.00 0.00 C ATOM 834 OE1 GLU A 52 12.480 -17.890 -7.763 1.00 0.00 O ATOM 835 OE2 GLU A 52 14.444 -18.217 -8.663 1.00 0.00 O ATOM 0 H GLU A 52 12.416 -17.086 -5.715 1.00 0.00 H new ATOM 0 HA GLU A 52 12.563 -19.496 -4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.675 -17.689 -5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.045 -19.232 -4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.874 -19.959 -6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.184 -20.115 -6.458 1.00 0.00 H new ATOM 842 N ILE A 53 13.299 -18.962 -1.966 1.00 0.00 N ATOM 843 CA ILE A 53 13.649 -18.716 -0.564 1.00 0.00 C ATOM 844 C ILE A 53 15.197 -18.667 -0.415 1.00 0.00 C ATOM 845 O ILE A 53 15.725 -17.954 0.445 1.00 0.00 O ATOM 846 CB ILE A 53 12.957 -19.812 0.365 1.00 0.00 C ATOM 847 CG1 ILE A 53 12.642 -19.271 1.796 1.00 0.00 C ATOM 848 CG2 ILE A 53 13.758 -21.129 0.430 1.00 0.00 C ATOM 849 CD1 ILE A 53 13.819 -19.039 2.717 1.00 0.00 C ATOM 0 H ILE A 53 12.896 -19.885 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 53 13.270 -17.748 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 53 12.004 -20.040 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.103 -18.329 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.965 -19.973 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.240 -21.838 1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.848 -21.550 -0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.752 -20.931 0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.462 -18.664 3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.352 -19.977 2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.493 -18.308 2.270 1.00 0.00 H new ATOM 861 N ASN A 54 15.917 -19.388 -1.308 1.00 0.00 N ATOM 862 CA ASN A 54 17.393 -19.446 -1.274 1.00 0.00 C ATOM 863 C ASN A 54 18.024 -18.125 -1.780 1.00 0.00 C ATOM 864 O ASN A 54 19.083 -17.724 -1.288 1.00 0.00 O ATOM 865 CB ASN A 54 17.945 -20.667 -2.075 1.00 0.00 C ATOM 866 CG ASN A 54 17.839 -20.550 -3.605 1.00 0.00 C ATOM 867 OD1 ASN A 54 16.897 -19.978 -4.136 1.00 0.00 O ATOM 868 ND2 ASN A 54 18.812 -21.094 -4.324 1.00 0.00 N ATOM 0 H ASN A 54 15.497 -19.936 -2.059 1.00 0.00 H new ATOM 0 HA ASN A 54 17.681 -19.579 -0.231 1.00 0.00 H new ATOM 0 HB2 ASN A 54 18.992 -20.812 -1.810 1.00 0.00 H new ATOM 0 HB3 ASN A 54 17.409 -21.562 -1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 54 18.785 -21.040 -5.342 1.00 0.00 H new ATOM 0 HD22 ASN A 54 19.587 -21.566 -3.859 1.00 0.00 H new ATOM 875 N LYS A 55 17.365 -17.446 -2.765 1.00 0.00 N ATOM 876 CA LYS A 55 17.870 -16.146 -3.283 1.00 0.00 C ATOM 877 C LYS A 55 17.622 -15.006 -2.273 1.00 0.00 C ATOM 878 O LYS A 55 18.200 -13.924 -2.417 1.00 0.00 O ATOM 879 CB LYS A 55 17.260 -15.750 -4.665 1.00 0.00 C ATOM 880 CG LYS A 55 15.777 -15.257 -4.645 1.00 0.00 C ATOM 881 CD LYS A 55 15.484 -14.136 -5.680 1.00 0.00 C ATOM 882 CE LYS A 55 15.758 -14.545 -7.130 1.00 0.00 C ATOM 883 NZ LYS A 55 14.814 -15.577 -7.606 1.00 0.00 N ATOM 0 H LYS A 55 16.504 -17.771 -3.205 1.00 0.00 H new ATOM 0 HA LYS A 55 18.941 -16.289 -3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.877 -14.964 -5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.326 -16.612 -5.329 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.118 -16.103 -4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.537 -14.891 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.441 -13.834 -5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 55 16.091 -13.263 -5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.689 -13.667 -7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.778 -14.921 -7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.342 -16.429 -7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.147 -15.816 -6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.287 -15.214 -8.426 1.00 0.00 H new ATOM 897 N LEU A 56 16.731 -15.248 -1.281 1.00 0.00 N ATOM 898 CA LEU A 56 16.442 -14.280 -0.207 1.00 0.00 C ATOM 899 C LEU A 56 17.595 -14.200 0.798 1.00 0.00 C ATOM 900 O LEU A 56 17.694 -13.225 1.534 1.00 0.00 O ATOM 901 CB LEU A 56 15.133 -14.631 0.534 1.00 0.00 C ATOM 902 CG LEU A 56 13.832 -14.670 -0.322 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.598 -14.867 0.573 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.682 -13.411 -1.197 1.00 0.00 C ATOM 0 H LEU A 56 16.198 -16.115 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 56 16.323 -13.307 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.260 -15.606 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.991 -13.906 1.336 1.00 0.00 H new ATOM 0 HG LEU A 56 13.910 -15.523 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.700 -14.891 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.690 -15.807 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.528 -14.043 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.762 -13.479 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.645 -12.527 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.533 -13.335 -1.874 1.00 0.00 H new ATOM 916 N PHE A 57 18.441 -15.241 0.839 1.00 0.00 N ATOM 917 CA PHE A 57 19.685 -15.214 1.619 1.00 0.00 C ATOM 918 C PHE A 57 20.701 -14.280 0.953 1.00 0.00 C ATOM 919 O PHE A 57 20.766 -14.199 -0.285 1.00 0.00 O ATOM 920 CB PHE A 57 20.287 -16.632 1.767 1.00 0.00 C ATOM 921 CG PHE A 57 19.577 -17.513 2.791 1.00 0.00 C ATOM 922 CD1 PHE A 57 18.462 -18.268 2.441 1.00 0.00 C ATOM 923 CD2 PHE A 57 20.029 -17.573 4.115 1.00 0.00 C ATOM 924 CE1 PHE A 57 17.825 -19.057 3.375 1.00 0.00 C ATOM 925 CE2 PHE A 57 19.388 -18.364 5.049 1.00 0.00 C ATOM 926 CZ PHE A 57 18.287 -19.103 4.679 1.00 0.00 C ATOM 0 H PHE A 57 18.284 -16.115 0.338 1.00 0.00 H new ATOM 0 HA PHE A 57 19.450 -14.841 2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 57 20.260 -17.128 0.797 1.00 0.00 H new ATOM 0 HB3 PHE A 57 21.336 -16.541 2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.092 -18.236 1.427 1.00 0.00 H new ATOM 0 HD2 PHE A 57 20.891 -16.993 4.410 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.963 -19.641 3.088 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.749 -18.402 6.066 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.783 -19.720 5.408 1.00 0.00 H new ATOM 936 N ASN A 58 21.484 -13.584 1.799 1.00 0.00 N ATOM 937 CA ASN A 58 22.607 -12.743 1.367 1.00 0.00 C ATOM 938 C ASN A 58 23.609 -13.653 0.640 1.00 0.00 C ATOM 939 O ASN A 58 24.132 -14.576 1.251 1.00 0.00 O ATOM 940 CB ASN A 58 23.271 -12.060 2.604 1.00 0.00 C ATOM 941 CG ASN A 58 24.177 -10.844 2.289 1.00 0.00 C ATOM 942 OD1 ASN A 58 24.748 -10.752 1.083 1.00 0.00 O flip ATOM 943 ND2 ASN A 58 24.355 -9.967 3.143 1.00 0.00 N flip ATOM 0 H ASN A 58 21.350 -13.593 2.810 1.00 0.00 H new ATOM 0 HA ASN A 58 22.267 -11.951 0.700 1.00 0.00 H new ATOM 0 HB2 ASN A 58 22.483 -11.737 3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 58 23.864 -12.805 3.133 1.00 0.00 H new ATOM 0 HD21 ASN A 58 23.913 -10.050 4.059 1.00 0.00 H new ATOM 0 HD22 ASN A 58 24.943 -9.161 2.931 1.00 0.00 H new ATOM 999 N LYS A 63 28.070 -13.084 4.650 1.00 0.00 N ATOM 1000 CA LYS A 63 27.889 -13.987 5.814 1.00 0.00 C ATOM 1001 C LYS A 63 27.481 -15.427 5.431 1.00 0.00 C ATOM 1002 O LYS A 63 27.651 -16.338 6.226 1.00 0.00 O ATOM 1003 CB LYS A 63 26.847 -13.392 6.790 1.00 0.00 C ATOM 1004 CG LYS A 63 27.244 -12.022 7.385 1.00 0.00 C ATOM 1005 CD LYS A 63 26.154 -11.432 8.307 1.00 0.00 C ATOM 1006 CE LYS A 63 24.814 -11.223 7.577 1.00 0.00 C ATOM 1007 NZ LYS A 63 24.915 -10.225 6.474 1.00 0.00 N ATOM 0 HA LYS A 63 28.865 -14.060 6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 63 25.896 -13.287 6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.686 -14.097 7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.171 -12.130 7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.445 -11.323 6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.001 -12.098 9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.498 -10.479 8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.473 -12.175 7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.061 -10.894 8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.977 -10.083 6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.263 -9.322 6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 25.575 -10.574 5.750 1.00 0.00 H new ATOM 1021 N TYR A 64 26.948 -15.609 4.218 1.00 0.00 N ATOM 1022 CA TYR A 64 26.523 -16.927 3.685 1.00 0.00 C ATOM 1023 C TYR A 64 27.659 -17.981 3.765 1.00 0.00 C ATOM 1024 O TYR A 64 27.408 -19.168 4.008 1.00 0.00 O ATOM 1025 CB TYR A 64 26.076 -16.752 2.216 1.00 0.00 C ATOM 1026 CG TYR A 64 25.193 -17.881 1.675 1.00 0.00 C ATOM 1027 CD1 TYR A 64 23.837 -17.933 1.996 1.00 0.00 C ATOM 1028 CD2 TYR A 64 25.703 -18.887 0.849 1.00 0.00 C ATOM 1029 CE1 TYR A 64 23.026 -18.939 1.517 1.00 0.00 C ATOM 1030 CE2 TYR A 64 24.889 -19.894 0.369 1.00 0.00 C ATOM 1031 CZ TYR A 64 23.549 -19.916 0.705 1.00 0.00 C ATOM 1032 OH TYR A 64 22.729 -20.922 0.234 1.00 0.00 O ATOM 0 H TYR A 64 26.794 -14.842 3.564 1.00 0.00 H new ATOM 0 HA TYR A 64 25.697 -17.292 4.296 1.00 0.00 H new ATOM 0 HB2 TYR A 64 25.534 -15.811 2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 64 26.963 -16.671 1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.414 -17.170 2.633 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.749 -18.876 0.582 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.979 -18.959 1.780 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.299 -20.663 -0.268 1.00 0.00 H new ATOM 0 HH TYR A 64 23.057 -21.231 -0.636 1.00 0.00 H new ATOM 1042 N ARG A 65 28.905 -17.505 3.580 1.00 0.00 N ATOM 1043 CA ARG A 65 30.117 -18.352 3.576 1.00 0.00 C ATOM 1044 C ARG A 65 30.852 -18.248 4.923 1.00 0.00 C ATOM 1045 O ARG A 65 31.501 -19.209 5.352 1.00 0.00 O ATOM 1046 CB ARG A 65 31.069 -17.965 2.409 1.00 0.00 C ATOM 1047 CG ARG A 65 31.643 -16.529 2.454 1.00 0.00 C ATOM 1048 CD ARG A 65 32.701 -16.277 1.371 1.00 0.00 C ATOM 1049 NE ARG A 65 33.210 -14.892 1.400 1.00 0.00 N ATOM 1050 CZ ARG A 65 34.265 -14.441 0.704 1.00 0.00 C ATOM 1051 NH1 ARG A 65 34.985 -15.265 -0.051 1.00 0.00 N ATOM 1052 NH2 ARG A 65 34.581 -13.154 0.763 1.00 0.00 N ATOM 0 H ARG A 65 29.102 -16.516 3.428 1.00 0.00 H new ATOM 0 HA ARG A 65 29.803 -19.385 3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 65 31.902 -18.668 2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 65 30.531 -18.091 1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 65 30.829 -15.814 2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 65 32.084 -16.349 3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 65 33.531 -16.970 1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 65 32.271 -16.484 0.391 1.00 0.00 H new ATOM 0 HE ARG A 65 32.721 -14.225 1.996 1.00 0.00 H new ATOM 0 HH11 ARG A 65 34.738 -16.253 -0.106 1.00 0.00 H new ATOM 0 HH12 ARG A 65 35.784 -14.909 -0.575 1.00 0.00 H new ATOM 0 HH21 ARG A 65 34.024 -12.518 1.333 1.00 0.00 H new ATOM 0 HH22 ARG A 65 35.381 -12.801 0.238 1.00 0.00 H new ATOM 1066 N GLU A 66 30.733 -17.066 5.572 1.00 0.00 N ATOM 1067 CA GLU A 66 31.311 -16.789 6.908 1.00 0.00 C ATOM 1068 C GLU A 66 30.771 -17.797 7.943 1.00 0.00 C ATOM 1069 O GLU A 66 31.533 -18.486 8.633 1.00 0.00 O ATOM 1070 CB GLU A 66 30.943 -15.339 7.329 1.00 0.00 C ATOM 1071 CG GLU A 66 31.409 -14.899 8.731 1.00 0.00 C ATOM 1072 CD GLU A 66 32.934 -14.777 8.865 1.00 0.00 C ATOM 1073 OE1 GLU A 66 33.482 -13.698 8.550 1.00 0.00 O ATOM 1074 OE2 GLU A 66 33.594 -15.757 9.278 1.00 0.00 O ATOM 0 H GLU A 66 30.229 -16.271 5.179 1.00 0.00 H new ATOM 0 HA GLU A 66 32.395 -16.892 6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 66 31.365 -14.652 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 66 29.859 -15.232 7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 66 30.954 -13.938 8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 66 31.045 -15.616 9.467 1.00 0.00 H new ATOM 1081 N LEU A 67 29.433 -17.870 8.006 1.00 0.00 N ATOM 1082 CA LEU A 67 28.692 -18.802 8.874 1.00 0.00 C ATOM 1083 C LEU A 67 28.701 -20.212 8.255 1.00 0.00 C ATOM 1084 O LEU A 67 28.516 -21.213 8.961 1.00 0.00 O ATOM 1085 CB LEU A 67 27.224 -18.313 9.043 1.00 0.00 C ATOM 1086 CG LEU A 67 27.024 -16.778 9.265 1.00 0.00 C ATOM 1087 CD1 LEU A 67 25.527 -16.421 9.346 1.00 0.00 C ATOM 1088 CD2 LEU A 67 27.798 -16.265 10.500 1.00 0.00 C ATOM 0 H LEU A 67 28.824 -17.273 7.446 1.00 0.00 H new ATOM 0 HA LEU A 67 29.173 -18.836 9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.662 -18.606 8.156 1.00 0.00 H new ATOM 0 HB3 LEU A 67 26.783 -18.841 9.889 1.00 0.00 H new ATOM 0 HG LEU A 67 27.443 -16.267 8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.417 -15.348 9.501 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.034 -16.706 8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.070 -16.956 10.178 1.00 0.00 H new ATOM 0 HD21 LEU A 67 27.630 -15.194 10.616 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.447 -16.786 11.391 1.00 0.00 H new ATOM 0 HD23 LEU A 67 28.863 -16.453 10.366 1.00 0.00 H new ATOM 1100 N ASP A 68 28.897 -20.239 6.913 1.00 0.00 N ATOM 1101 CA ASP A 68 28.914 -21.458 6.084 1.00 0.00 C ATOM 1102 C ASP A 68 27.523 -22.128 6.118 1.00 0.00 C ATOM 1103 O ASP A 68 27.390 -23.340 6.321 1.00 0.00 O ATOM 1104 CB ASP A 68 30.074 -22.418 6.519 1.00 0.00 C ATOM 1105 CG ASP A 68 30.379 -23.526 5.488 1.00 0.00 C ATOM 1106 OD1 ASP A 68 31.044 -23.234 4.467 1.00 0.00 O ATOM 1107 OD2 ASP A 68 29.961 -24.690 5.684 1.00 0.00 O ATOM 0 H ASP A 68 29.051 -19.390 6.369 1.00 0.00 H new ATOM 0 HA ASP A 68 29.121 -21.194 5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 68 30.977 -21.831 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 68 29.814 -22.881 7.471 1.00 0.00 H new ATOM 1112 N LEU A 69 26.473 -21.300 5.908 1.00 0.00 N ATOM 1113 CA LEU A 69 25.069 -21.749 5.972 1.00 0.00 C ATOM 1114 C LEU A 69 24.748 -22.796 4.890 1.00 0.00 C ATOM 1115 O LEU A 69 23.900 -23.641 5.110 1.00 0.00 O ATOM 1116 CB LEU A 69 24.075 -20.564 5.838 1.00 0.00 C ATOM 1117 CG LEU A 69 24.075 -19.511 6.988 1.00 0.00 C ATOM 1118 CD1 LEU A 69 23.005 -18.428 6.730 1.00 0.00 C ATOM 1119 CD2 LEU A 69 23.867 -20.184 8.368 1.00 0.00 C ATOM 0 H LEU A 69 26.578 -20.309 5.691 1.00 0.00 H new ATOM 0 HA LEU A 69 24.948 -22.206 6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 69 24.289 -20.046 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 69 23.068 -20.973 5.753 1.00 0.00 H new ATOM 0 HG LEU A 69 25.052 -19.029 7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.019 -17.702 7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.218 -17.923 5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.021 -18.894 6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.872 -19.423 9.148 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.911 -20.707 8.377 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.672 -20.896 8.551 1.00 0.00 H new ATOM 1131 N LYS A 70 25.449 -22.726 3.740 1.00 0.00 N ATOM 1132 CA LYS A 70 25.197 -23.598 2.560 1.00 0.00 C ATOM 1133 C LYS A 70 25.144 -25.101 2.955 1.00 0.00 C ATOM 1134 O LYS A 70 24.225 -25.835 2.549 1.00 0.00 O ATOM 1135 CB LYS A 70 26.304 -23.357 1.497 1.00 0.00 C ATOM 1136 CG LYS A 70 26.056 -23.993 0.106 1.00 0.00 C ATOM 1137 CD LYS A 70 24.867 -23.338 -0.641 1.00 0.00 C ATOM 1138 CE LYS A 70 24.707 -23.821 -2.093 1.00 0.00 C ATOM 1139 NZ LYS A 70 24.419 -25.272 -2.180 1.00 0.00 N ATOM 0 H LYS A 70 26.210 -22.062 3.597 1.00 0.00 H new ATOM 0 HA LYS A 70 24.223 -23.339 2.144 1.00 0.00 H new ATOM 0 HB2 LYS A 70 26.428 -22.282 1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.246 -23.741 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 70 26.958 -23.899 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 70 25.863 -25.059 0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.947 -23.546 -0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 70 25.000 -22.256 -0.640 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.901 -23.265 -2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.619 -23.601 -2.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 24.320 -25.547 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 25.200 -25.807 -1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.535 -25.481 -1.674 1.00 0.00 H new ATOM 1153 N ASN A 71 26.099 -25.501 3.823 1.00 0.00 N ATOM 1154 CA ASN A 71 26.258 -26.897 4.294 1.00 0.00 C ATOM 1155 C ASN A 71 25.050 -27.384 5.126 1.00 0.00 C ATOM 1156 O ASN A 71 24.722 -28.578 5.102 1.00 0.00 O ATOM 1157 CB ASN A 71 27.573 -27.031 5.109 1.00 0.00 C ATOM 1158 CG ASN A 71 27.851 -28.457 5.617 1.00 0.00 C ATOM 1159 OD1 ASN A 71 27.503 -28.816 6.742 1.00 0.00 O ATOM 1160 ND2 ASN A 71 28.462 -29.288 4.787 1.00 0.00 N ATOM 0 H ASN A 71 26.787 -24.861 4.220 1.00 0.00 H new ATOM 0 HA ASN A 71 26.308 -27.536 3.413 1.00 0.00 H new ATOM 0 HB2 ASN A 71 28.408 -26.708 4.487 1.00 0.00 H new ATOM 0 HB3 ASN A 71 27.530 -26.354 5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 71 28.653 -30.248 5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 71 28.741 -28.969 3.859 1.00 0.00 H new ATOM 1167 N LYS A 72 24.390 -26.475 5.868 1.00 0.00 N ATOM 1168 CA LYS A 72 23.178 -26.837 6.634 1.00 0.00 C ATOM 1169 C LYS A 72 21.915 -26.666 5.771 1.00 0.00 C ATOM 1170 O LYS A 72 20.978 -27.435 5.918 1.00 0.00 O ATOM 1171 CB LYS A 72 23.068 -26.035 7.960 1.00 0.00 C ATOM 1172 CG LYS A 72 22.791 -24.527 7.829 1.00 0.00 C ATOM 1173 CD LYS A 72 22.714 -23.826 9.204 1.00 0.00 C ATOM 1174 CE LYS A 72 21.491 -24.266 10.025 1.00 0.00 C ATOM 1175 NZ LYS A 72 21.455 -23.667 11.377 1.00 0.00 N ATOM 0 H LYS A 72 24.669 -25.498 5.954 1.00 0.00 H new ATOM 0 HA LYS A 72 23.265 -27.889 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.273 -26.477 8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.997 -26.164 8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.577 -24.066 7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.854 -24.377 7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.622 -24.040 9.768 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.678 -22.747 9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.583 -23.992 9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.493 -25.352 10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.609 -24.000 11.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.306 -23.948 11.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.424 -22.631 11.297 1.00 0.00 H new ATOM 1189 N LEU A 73 21.917 -25.686 4.836 1.00 0.00 N ATOM 1190 CA LEU A 73 20.727 -25.352 4.013 1.00 0.00 C ATOM 1191 C LEU A 73 20.378 -26.489 3.039 1.00 0.00 C ATOM 1192 O LEU A 73 19.203 -26.686 2.709 1.00 0.00 O ATOM 1193 CB LEU A 73 20.904 -24.015 3.238 1.00 0.00 C ATOM 1194 CG LEU A 73 21.065 -22.720 4.102 1.00 0.00 C ATOM 1195 CD1 LEU A 73 21.085 -21.455 3.219 1.00 0.00 C ATOM 1196 CD2 LEU A 73 19.986 -22.624 5.199 1.00 0.00 C ATOM 0 H LEU A 73 22.733 -25.110 4.631 1.00 0.00 H new ATOM 0 HA LEU A 73 19.898 -25.225 4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.780 -24.107 2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 73 20.042 -23.883 2.584 1.00 0.00 H new ATOM 0 HG LEU A 73 22.029 -22.787 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.198 -20.573 3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.920 -21.512 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.151 -21.385 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.134 -21.711 5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.999 -22.606 4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.062 -23.487 5.860 1.00 0.00 H new ATOM 1208 N GLN A 74 21.410 -27.234 2.602 1.00 0.00 N ATOM 1209 CA GLN A 74 21.245 -28.388 1.688 1.00 0.00 C ATOM 1210 C GLN A 74 20.589 -29.614 2.369 1.00 0.00 C ATOM 1211 O GLN A 74 20.225 -30.569 1.674 1.00 0.00 O ATOM 1212 CB GLN A 74 22.621 -28.750 1.035 1.00 0.00 C ATOM 1213 CG GLN A 74 23.802 -29.020 2.006 1.00 0.00 C ATOM 1214 CD GLN A 74 23.946 -30.464 2.497 1.00 0.00 C ATOM 1215 OE1 GLN A 74 23.394 -30.846 3.522 1.00 0.00 O ATOM 1216 NE2 GLN A 74 24.683 -31.284 1.756 1.00 0.00 N ATOM 0 H GLN A 74 22.379 -27.057 2.869 1.00 0.00 H new ATOM 0 HA GLN A 74 20.550 -28.089 0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 74 22.481 -29.635 0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 74 22.907 -27.936 0.369 1.00 0.00 H new ATOM 0 HG2 GLN A 74 24.729 -28.731 1.510 1.00 0.00 H new ATOM 0 HG3 GLN A 74 23.689 -28.371 2.874 1.00 0.00 H new ATOM 0 HE21 GLN A 74 25.132 -30.940 0.907 1.00 0.00 H new ATOM 0 HE22 GLN A 74 24.800 -32.258 2.036 1.00 0.00 H new ATOM 1225 N THR A 75 20.425 -29.593 3.718 1.00 0.00 N ATOM 1226 CA THR A 75 19.837 -30.733 4.467 1.00 0.00 C ATOM 1227 C THR A 75 18.578 -30.337 5.275 1.00 0.00 C ATOM 1228 O THR A 75 17.678 -31.169 5.443 1.00 0.00 O ATOM 1229 CB THR A 75 20.895 -31.429 5.397 1.00 0.00 C ATOM 1230 OG1 THR A 75 20.312 -32.559 6.077 1.00 0.00 O ATOM 1231 CG2 THR A 75 21.515 -30.468 6.431 1.00 0.00 C ATOM 0 H THR A 75 20.691 -28.803 4.306 1.00 0.00 H new ATOM 0 HA THR A 75 19.520 -31.452 3.712 1.00 0.00 H new ATOM 0 HB THR A 75 21.699 -31.765 4.742 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.987 -32.980 6.650 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.237 -31.008 7.043 1.00 0.00 H new ATOM 0 HG22 THR A 75 22.017 -29.651 5.913 1.00 0.00 H new ATOM 0 HG23 THR A 75 20.729 -30.064 7.069 1.00 0.00 H new ATOM 1239 N LEU A 76 18.488 -29.078 5.774 1.00 0.00 N ATOM 1240 CA LEU A 76 17.327 -28.654 6.607 1.00 0.00 C ATOM 1241 C LEU A 76 16.069 -28.375 5.752 1.00 0.00 C ATOM 1242 O LEU A 76 16.108 -28.461 4.519 1.00 0.00 O ATOM 1243 CB LEU A 76 17.677 -27.444 7.555 1.00 0.00 C ATOM 1244 CG LEU A 76 18.347 -26.151 6.956 1.00 0.00 C ATOM 1245 CD1 LEU A 76 17.525 -25.480 5.852 1.00 0.00 C ATOM 1246 CD2 LEU A 76 18.671 -25.129 8.065 1.00 0.00 C ATOM 0 H LEU A 76 19.187 -28.351 5.621 1.00 0.00 H new ATOM 0 HA LEU A 76 17.089 -29.497 7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.753 -27.135 8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 76 18.338 -27.822 8.335 1.00 0.00 H new ATOM 0 HG LEU A 76 19.271 -26.495 6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 76 18.053 -24.597 5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 76 17.382 -26.180 5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.554 -25.185 6.250 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.133 -24.246 7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 76 17.751 -24.841 8.574 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.358 -25.577 8.783 1.00 0.00 H new ATOM 1258 N SER A 77 14.968 -28.011 6.432 1.00 0.00 N ATOM 1259 CA SER A 77 13.688 -27.670 5.795 1.00 0.00 C ATOM 1260 C SER A 77 13.678 -26.199 5.358 1.00 0.00 C ATOM 1261 O SER A 77 14.375 -25.364 5.946 1.00 0.00 O ATOM 1262 CB SER A 77 12.540 -27.934 6.793 1.00 0.00 C ATOM 1263 OG SER A 77 12.554 -29.279 7.233 1.00 0.00 O ATOM 0 H SER A 77 14.943 -27.945 7.450 1.00 0.00 H new ATOM 0 HA SER A 77 13.553 -28.290 4.908 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.636 -27.266 7.649 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.583 -27.711 6.320 1.00 0.00 H new ATOM 0 HG SER A 77 11.820 -29.424 7.866 1.00 0.00 H new ATOM 1269 N ASP A 78 12.866 -25.882 4.336 1.00 0.00 N ATOM 1270 CA ASP A 78 12.690 -24.497 3.856 1.00 0.00 C ATOM 1271 C ASP A 78 12.057 -23.609 4.942 1.00 0.00 C ATOM 1272 O ASP A 78 12.221 -22.390 4.910 1.00 0.00 O ATOM 1273 CB ASP A 78 11.862 -24.470 2.553 1.00 0.00 C ATOM 1274 CG ASP A 78 12.584 -25.176 1.387 1.00 0.00 C ATOM 1275 OD1 ASP A 78 13.441 -24.536 0.727 1.00 0.00 O ATOM 1276 OD2 ASP A 78 12.329 -26.372 1.143 1.00 0.00 O ATOM 0 H ASP A 78 12.316 -26.570 3.822 1.00 0.00 H new ATOM 0 HA ASP A 78 13.676 -24.088 3.634 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.900 -24.951 2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.656 -23.436 2.277 1.00 0.00 H new ATOM 1281 N ASP A 79 11.356 -24.246 5.910 1.00 0.00 N ATOM 1282 CA ASP A 79 10.844 -23.579 7.122 1.00 0.00 C ATOM 1283 C ASP A 79 11.995 -22.981 7.951 1.00 0.00 C ATOM 1284 O ASP A 79 11.950 -21.818 8.339 1.00 0.00 O ATOM 1285 CB ASP A 79 10.030 -24.568 7.987 1.00 0.00 C ATOM 1286 CG ASP A 79 9.470 -23.926 9.280 1.00 0.00 C ATOM 1287 OD1 ASP A 79 8.488 -23.145 9.189 1.00 0.00 O ATOM 1288 OD2 ASP A 79 9.993 -24.203 10.385 1.00 0.00 O ATOM 0 H ASP A 79 11.131 -25.240 5.868 1.00 0.00 H new ATOM 0 HA ASP A 79 10.189 -22.768 6.803 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.203 -24.962 7.397 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.663 -25.414 8.253 1.00 0.00 H new ATOM 1293 N GLU A 80 13.040 -23.796 8.168 1.00 0.00 N ATOM 1294 CA GLU A 80 14.229 -23.420 8.964 1.00 0.00 C ATOM 1295 C GLU A 80 15.049 -22.322 8.260 1.00 0.00 C ATOM 1296 O GLU A 80 15.705 -21.506 8.921 1.00 0.00 O ATOM 1297 CB GLU A 80 15.076 -24.683 9.247 1.00 0.00 C ATOM 1298 CG GLU A 80 14.307 -25.780 10.016 1.00 0.00 C ATOM 1299 CD GLU A 80 15.136 -27.047 10.256 1.00 0.00 C ATOM 1300 OE1 GLU A 80 15.962 -27.068 11.196 1.00 0.00 O ATOM 1301 OE2 GLU A 80 14.973 -28.028 9.504 1.00 0.00 O ATOM 0 H GLU A 80 13.088 -24.744 7.794 1.00 0.00 H new ATOM 0 HA GLU A 80 13.905 -23.000 9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.430 -25.093 8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.958 -24.398 9.821 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.981 -25.380 10.976 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.408 -26.043 9.458 1.00 0.00 H new ATOM 1308 N LYS A 81 14.972 -22.293 6.916 1.00 0.00 N ATOM 1309 CA LYS A 81 15.549 -21.206 6.100 1.00 0.00 C ATOM 1310 C LYS A 81 14.840 -19.868 6.403 1.00 0.00 C ATOM 1311 O LYS A 81 15.497 -18.838 6.614 1.00 0.00 O ATOM 1312 CB LYS A 81 15.433 -21.534 4.595 1.00 0.00 C ATOM 1313 CG LYS A 81 16.204 -22.779 4.146 1.00 0.00 C ATOM 1314 CD LYS A 81 16.046 -23.074 2.642 1.00 0.00 C ATOM 1315 CE LYS A 81 16.736 -24.379 2.224 1.00 0.00 C ATOM 1316 NZ LYS A 81 16.445 -24.740 0.818 1.00 0.00 N ATOM 0 H LYS A 81 14.511 -23.018 6.367 1.00 0.00 H new ATOM 0 HA LYS A 81 16.604 -21.112 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.380 -21.667 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.789 -20.678 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.261 -22.648 4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 81 15.858 -23.640 4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.986 -23.132 2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.462 -22.247 2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.813 -24.277 2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.410 -25.186 2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.772 -25.710 0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.420 -24.682 0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.938 -24.082 0.181 1.00 0.00 H new ATOM 1330 N LEU A 82 13.489 -19.919 6.430 1.00 0.00 N ATOM 1331 CA LEU A 82 12.624 -18.767 6.790 1.00 0.00 C ATOM 1332 C LEU A 82 12.991 -18.229 8.186 1.00 0.00 C ATOM 1333 O LEU A 82 13.054 -17.011 8.397 1.00 0.00 O ATOM 1334 CB LEU A 82 11.132 -19.198 6.799 1.00 0.00 C ATOM 1335 CG LEU A 82 10.556 -19.764 5.460 1.00 0.00 C ATOM 1336 CD1 LEU A 82 9.253 -20.549 5.691 1.00 0.00 C ATOM 1337 CD2 LEU A 82 10.324 -18.649 4.452 1.00 0.00 C ATOM 0 H LEU A 82 12.964 -20.763 6.202 1.00 0.00 H new ATOM 0 HA LEU A 82 12.779 -17.985 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.001 -19.955 7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.531 -18.337 7.091 1.00 0.00 H new ATOM 0 HG LEU A 82 11.298 -20.452 5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.882 -20.927 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.446 -21.385 6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.506 -19.891 6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.923 -19.070 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.614 -17.930 4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.268 -18.147 4.241 1.00 0.00 H new ATOM 1349 N GLU A 83 13.236 -19.173 9.121 1.00 0.00 N ATOM 1350 CA GLU A 83 13.573 -18.861 10.521 1.00 0.00 C ATOM 1351 C GLU A 83 14.922 -18.124 10.624 1.00 0.00 C ATOM 1352 O GLU A 83 15.050 -17.182 11.407 1.00 0.00 O ATOM 1353 CB GLU A 83 13.598 -20.147 11.386 1.00 0.00 C ATOM 1354 CG GLU A 83 12.296 -20.969 11.350 1.00 0.00 C ATOM 1355 CD GLU A 83 12.252 -22.089 12.399 1.00 0.00 C ATOM 1356 OE1 GLU A 83 12.969 -23.099 12.235 1.00 0.00 O ATOM 1357 OE2 GLU A 83 11.530 -21.947 13.412 1.00 0.00 O ATOM 0 H GLU A 83 13.205 -20.173 8.923 1.00 0.00 H new ATOM 0 HA GLU A 83 12.795 -18.200 10.903 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.421 -20.779 11.051 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.809 -19.870 12.419 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.449 -20.301 11.507 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.178 -21.406 10.358 1.00 0.00 H new ATOM 1364 N LEU A 84 15.918 -18.562 9.825 1.00 0.00 N ATOM 1365 CA LEU A 84 17.251 -17.913 9.762 1.00 0.00 C ATOM 1366 C LEU A 84 17.141 -16.464 9.249 1.00 0.00 C ATOM 1367 O LEU A 84 17.769 -15.542 9.801 1.00 0.00 O ATOM 1368 CB LEU A 84 18.209 -18.744 8.870 1.00 0.00 C ATOM 1369 CG LEU A 84 18.615 -20.140 9.449 1.00 0.00 C ATOM 1370 CD1 LEU A 84 19.349 -20.996 8.399 1.00 0.00 C ATOM 1371 CD2 LEU A 84 19.469 -19.978 10.731 1.00 0.00 C ATOM 0 H LEU A 84 15.825 -19.369 9.208 1.00 0.00 H new ATOM 0 HA LEU A 84 17.661 -17.874 10.771 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.737 -18.895 7.899 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.115 -18.163 8.697 1.00 0.00 H new ATOM 0 HG LEU A 84 17.699 -20.666 9.716 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.616 -21.958 8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.697 -21.156 7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.254 -20.480 8.077 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.739 -20.962 11.115 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.375 -19.419 10.497 1.00 0.00 H new ATOM 0 HD23 LEU A 84 18.895 -19.439 11.485 1.00 0.00 H new ATOM 1383 N LEU A 85 16.308 -16.276 8.210 1.00 0.00 N ATOM 1384 CA LEU A 85 16.014 -14.943 7.653 1.00 0.00 C ATOM 1385 C LEU A 85 15.305 -14.044 8.697 1.00 0.00 C ATOM 1386 O LEU A 85 15.518 -12.834 8.737 1.00 0.00 O ATOM 1387 CB LEU A 85 15.137 -15.069 6.382 1.00 0.00 C ATOM 1388 CG LEU A 85 15.765 -15.819 5.170 1.00 0.00 C ATOM 1389 CD1 LEU A 85 14.780 -15.862 3.984 1.00 0.00 C ATOM 1390 CD2 LEU A 85 17.116 -15.196 4.753 1.00 0.00 C ATOM 0 H LEU A 85 15.823 -17.037 7.736 1.00 0.00 H new ATOM 0 HA LEU A 85 16.963 -14.477 7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.213 -15.578 6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.864 -14.065 6.056 1.00 0.00 H new ATOM 0 HG LEU A 85 15.965 -16.844 5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.239 -16.390 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.870 -16.381 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.534 -14.845 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.524 -15.746 3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 85 16.965 -14.154 4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.814 -15.248 5.589 1.00 0.00 H new ATOM 1402 N SER A 86 14.455 -14.658 9.536 1.00 0.00 N ATOM 1403 CA SER A 86 13.744 -13.952 10.616 1.00 0.00 C ATOM 1404 C SER A 86 14.699 -13.614 11.776 1.00 0.00 C ATOM 1405 O SER A 86 14.531 -12.592 12.451 1.00 0.00 O ATOM 1406 CB SER A 86 12.575 -14.817 11.112 1.00 0.00 C ATOM 1407 OG SER A 86 11.707 -15.141 10.048 1.00 0.00 O ATOM 0 H SER A 86 14.241 -15.654 9.486 1.00 0.00 H new ATOM 0 HA SER A 86 13.354 -13.013 10.224 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.959 -15.731 11.565 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.025 -14.284 11.887 1.00 0.00 H new ATOM 0 HG SER A 86 12.138 -15.799 9.463 1.00 0.00 H new ATOM 1413 N SER A 87 15.714 -14.479 11.974 1.00 0.00 N ATOM 1414 CA SER A 87 16.726 -14.322 13.030 1.00 0.00 C ATOM 1415 C SER A 87 17.674 -13.158 12.715 1.00 0.00 C ATOM 1416 O SER A 87 18.202 -12.513 13.636 1.00 0.00 O ATOM 1417 CB SER A 87 17.524 -15.634 13.213 1.00 0.00 C ATOM 1418 OG SER A 87 16.680 -16.686 13.650 1.00 0.00 O ATOM 0 H SER A 87 15.853 -15.311 11.400 1.00 0.00 H new ATOM 0 HA SER A 87 16.209 -14.095 13.962 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.997 -15.910 12.271 1.00 0.00 H new ATOM 0 HB3 SER A 87 18.323 -15.479 13.938 1.00 0.00 H new ATOM 0 HG SER A 87 16.075 -16.944 12.923 1.00 0.00 H new ATOM 1424 N ASP A 88 17.898 -12.894 11.406 1.00 0.00 N ATOM 1425 CA ASP A 88 18.737 -11.768 10.974 1.00 0.00 C ATOM 1426 C ASP A 88 18.244 -11.177 9.647 1.00 0.00 C ATOM 1427 O ASP A 88 18.160 -11.882 8.640 1.00 0.00 O ATOM 1428 CB ASP A 88 20.209 -12.221 10.851 1.00 0.00 C ATOM 1429 CG ASP A 88 21.194 -11.079 10.555 1.00 0.00 C ATOM 1430 OD1 ASP A 88 21.000 -9.948 11.059 1.00 0.00 O ATOM 1431 OD2 ASP A 88 22.166 -11.303 9.812 1.00 0.00 O ATOM 0 H ASP A 88 17.509 -13.445 10.641 1.00 0.00 H new ATOM 0 HA ASP A 88 18.667 -10.985 11.729 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.506 -12.711 11.778 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.284 -12.966 10.059 1.00 0.00 H new ATOM 1436 N GLY A 89 17.959 -9.860 9.664 1.00 0.00 N ATOM 1437 CA GLY A 89 17.577 -9.117 8.464 1.00 0.00 C ATOM 1438 C GLY A 89 18.748 -8.859 7.521 1.00 0.00 C ATOM 1439 O GLY A 89 18.547 -8.573 6.343 1.00 0.00 O ATOM 0 H GLY A 89 17.989 -9.291 10.510 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.805 -9.672 7.931 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.139 -8.163 8.759 1.00 0.00 H new ATOM 1443 N MET A 90 19.985 -8.952 8.049 1.00 0.00 N ATOM 1444 CA MET A 90 21.209 -8.864 7.229 1.00 0.00 C ATOM 1445 C MET A 90 21.462 -10.202 6.505 1.00 0.00 C ATOM 1446 O MET A 90 22.140 -10.234 5.468 1.00 0.00 O ATOM 1447 CB MET A 90 22.426 -8.480 8.106 1.00 0.00 C ATOM 1448 CG MET A 90 22.337 -7.150 8.880 1.00 0.00 C ATOM 1449 SD MET A 90 22.478 -5.675 7.836 1.00 0.00 S ATOM 1450 CE MET A 90 20.794 -5.408 7.312 1.00 0.00 C ATOM 0 H MET A 90 20.162 -9.089 9.044 1.00 0.00 H new ATOM 0 HA MET A 90 21.070 -8.084 6.480 1.00 0.00 H new ATOM 0 HB2 MET A 90 22.591 -9.281 8.826 1.00 0.00 H new ATOM 0 HB3 MET A 90 23.307 -8.441 7.465 1.00 0.00 H new ATOM 0 HG2 MET A 90 21.387 -7.115 9.413 1.00 0.00 H new ATOM 0 HG3 MET A 90 23.126 -7.126 9.632 1.00 0.00 H new ATOM 0 HE1 MET A 90 20.789 -4.908 6.344 1.00 0.00 H new ATOM 0 HE2 MET A 90 20.283 -6.367 7.227 1.00 0.00 H new ATOM 0 HE3 MET A 90 20.279 -4.786 8.044 1.00 0.00 H new ATOM 1460 N LEU A 91 20.943 -11.310 7.089 1.00 0.00 N ATOM 1461 CA LEU A 91 20.915 -12.635 6.436 1.00 0.00 C ATOM 1462 C LEU A 91 19.934 -12.640 5.266 1.00 0.00 C ATOM 1463 O LEU A 91 20.085 -13.433 4.337 1.00 0.00 O ATOM 1464 CB LEU A 91 20.575 -13.771 7.458 1.00 0.00 C ATOM 1465 CG LEU A 91 21.784 -14.382 8.229 1.00 0.00 C ATOM 1466 CD1 LEU A 91 21.332 -15.523 9.176 1.00 0.00 C ATOM 1467 CD2 LEU A 91 22.871 -14.855 7.238 1.00 0.00 C ATOM 0 H LEU A 91 20.534 -11.307 8.023 1.00 0.00 H new ATOM 0 HA LEU A 91 21.913 -12.834 6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 91 19.867 -13.377 8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 91 20.068 -14.574 6.923 1.00 0.00 H new ATOM 0 HG LEU A 91 22.219 -13.604 8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 91 22.199 -15.927 9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 91 20.620 -15.132 9.903 1.00 0.00 H new ATOM 0 HD13 LEU A 91 20.858 -16.313 8.593 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.709 -15.279 7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.454 -15.613 6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.219 -14.007 6.647 1.00 0.00 H new ATOM 1479 N VAL A 92 18.922 -11.761 5.333 1.00 0.00 N ATOM 1480 CA VAL A 92 18.039 -11.495 4.190 1.00 0.00 C ATOM 1481 C VAL A 92 18.742 -10.508 3.238 1.00 0.00 C ATOM 1482 O VAL A 92 19.668 -9.782 3.645 1.00 0.00 O ATOM 1483 CB VAL A 92 16.637 -10.897 4.610 1.00 0.00 C ATOM 1484 CG1 VAL A 92 15.584 -11.057 3.477 1.00 0.00 C ATOM 1485 CG2 VAL A 92 16.130 -11.517 5.917 1.00 0.00 C ATOM 0 H VAL A 92 18.696 -11.222 6.169 1.00 0.00 H new ATOM 0 HA VAL A 92 17.844 -12.451 3.704 1.00 0.00 H new ATOM 0 HB VAL A 92 16.783 -9.830 4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.633 -10.635 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 92 15.927 -10.534 2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.452 -12.115 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.164 -11.083 6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.021 -12.594 5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.844 -11.316 6.716 1.00 0.00 H new ATOM 1495 N LYS A 93 18.317 -10.503 1.971 1.00 0.00 N ATOM 1496 CA LYS A 93 18.740 -9.505 1.000 1.00 0.00 C ATOM 1497 C LYS A 93 18.176 -8.140 1.408 1.00 0.00 C ATOM 1498 O LYS A 93 16.954 -7.949 1.429 1.00 0.00 O ATOM 1499 CB LYS A 93 18.279 -9.897 -0.418 1.00 0.00 C ATOM 1500 CG LYS A 93 18.932 -11.183 -0.970 1.00 0.00 C ATOM 1501 CD LYS A 93 20.450 -11.031 -1.230 1.00 0.00 C ATOM 1502 CE LYS A 93 20.757 -10.006 -2.329 1.00 0.00 C ATOM 1503 NZ LYS A 93 20.167 -10.402 -3.629 1.00 0.00 N ATOM 0 H LYS A 93 17.669 -11.195 1.595 1.00 0.00 H new ATOM 0 HA LYS A 93 19.828 -9.449 0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.197 -10.028 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.496 -9.073 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.770 -11.997 -0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.437 -11.464 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.945 -10.729 -0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 93 20.866 -11.998 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.369 -9.031 -2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 93 21.837 -9.900 -2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 20.546 -9.793 -4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.408 -11.393 -3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.133 -10.298 -3.587 1.00 0.00 H new ATOM 1517 N ARG A 94 19.091 -7.231 1.766 1.00 0.00 N ATOM 1518 CA ARG A 94 18.777 -5.858 2.171 1.00 0.00 C ATOM 1519 C ARG A 94 17.987 -5.113 1.059 1.00 0.00 C ATOM 1520 O ARG A 94 16.979 -4.499 1.376 1.00 0.00 O ATOM 1521 CB ARG A 94 20.088 -5.123 2.562 1.00 0.00 C ATOM 1522 CG ARG A 94 20.880 -5.828 3.693 1.00 0.00 C ATOM 1523 CD ARG A 94 22.324 -5.321 3.844 1.00 0.00 C ATOM 1524 NE ARG A 94 22.398 -3.888 4.195 1.00 0.00 N ATOM 1525 CZ ARG A 94 23.545 -3.219 4.397 1.00 0.00 C ATOM 1526 NH1 ARG A 94 24.713 -3.836 4.291 1.00 0.00 N ATOM 1527 NH2 ARG A 94 23.515 -1.938 4.706 1.00 0.00 N ATOM 0 H ARG A 94 20.090 -7.435 1.782 1.00 0.00 H new ATOM 0 HA ARG A 94 18.127 -5.877 3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 94 20.725 -5.040 1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 94 19.846 -4.108 2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.354 -5.685 4.637 1.00 0.00 H new ATOM 0 HG3 ARG A 94 20.899 -6.900 3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 94 22.830 -5.905 4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 94 22.862 -5.489 2.911 1.00 0.00 H new ATOM 0 HE ARG A 94 21.522 -3.374 4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 94 24.746 -4.828 4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 94 25.579 -3.319 4.446 1.00 0.00 H new ATOM 0 HH21 ARG A 94 22.621 -1.455 4.792 1.00 0.00 H new ATOM 0 HH22 ARG A 94 24.386 -1.430 4.859 1.00 0.00 H new ATOM 1541 N PRO A 95 18.400 -5.178 -0.266 1.00 0.00 N ATOM 1542 CA PRO A 95 17.530 -4.713 -1.364 1.00 0.00 C ATOM 1543 C PRO A 95 16.442 -5.763 -1.719 1.00 0.00 C ATOM 1544 O PRO A 95 16.704 -6.766 -2.406 1.00 0.00 O ATOM 1545 CB PRO A 95 18.524 -4.491 -2.524 1.00 0.00 C ATOM 1546 CG PRO A 95 19.605 -5.507 -2.296 1.00 0.00 C ATOM 1547 CD PRO A 95 19.729 -5.645 -0.794 1.00 0.00 C ATOM 0 HA PRO A 95 16.965 -3.815 -1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.043 -4.635 -3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 95 18.924 -3.477 -2.514 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.349 -6.461 -2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.547 -5.182 -2.738 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.932 -6.676 -0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.547 -5.038 -0.405 1.00 0.00 H new ATOM 1555 N LEU A 96 15.234 -5.541 -1.191 1.00 0.00 N ATOM 1556 CA LEU A 96 14.046 -6.352 -1.497 1.00 0.00 C ATOM 1557 C LEU A 96 12.847 -5.414 -1.628 1.00 0.00 C ATOM 1558 O LEU A 96 12.761 -4.413 -0.932 1.00 0.00 O ATOM 1559 CB LEU A 96 13.836 -7.458 -0.404 1.00 0.00 C ATOM 1560 CG LEU A 96 12.535 -8.356 -0.521 1.00 0.00 C ATOM 1561 CD1 LEU A 96 12.786 -9.818 -0.069 1.00 0.00 C ATOM 1562 CD2 LEU A 96 11.338 -7.772 0.265 1.00 0.00 C ATOM 0 H LEU A 96 15.049 -4.785 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 96 14.174 -6.883 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.704 -8.117 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.823 -6.971 0.571 1.00 0.00 H new ATOM 0 HG LEU A 96 12.282 -8.358 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 96 11.865 -10.393 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.561 -10.264 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.109 -9.827 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.474 -8.426 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.598 -7.696 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.097 -6.782 -0.122 1.00 0.00 H new ATOM 1574 N ALA A 97 11.941 -5.738 -2.542 1.00 0.00 N ATOM 1575 CA ALA A 97 10.699 -4.993 -2.738 1.00 0.00 C ATOM 1576 C ALA A 97 9.584 -6.004 -2.993 1.00 0.00 C ATOM 1577 O ALA A 97 9.571 -6.635 -4.037 1.00 0.00 O ATOM 1578 CB ALA A 97 10.864 -4.004 -3.906 1.00 0.00 C ATOM 0 H ALA A 97 12.046 -6.531 -3.174 1.00 0.00 H new ATOM 0 HA ALA A 97 10.447 -4.403 -1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 97 9.936 -3.451 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.671 -3.307 -3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.102 -4.553 -4.817 1.00 0.00 H new ATOM 1584 N VAL A 98 8.697 -6.207 -2.011 1.00 0.00 N ATOM 1585 CA VAL A 98 7.577 -7.171 -2.123 1.00 0.00 C ATOM 1586 C VAL A 98 6.235 -6.421 -2.095 1.00 0.00 C ATOM 1587 O VAL A 98 6.087 -5.439 -1.384 1.00 0.00 O ATOM 1588 CB VAL A 98 7.637 -8.269 -0.990 1.00 0.00 C ATOM 1589 CG1 VAL A 98 7.497 -7.663 0.433 1.00 0.00 C ATOM 1590 CG2 VAL A 98 6.596 -9.393 -1.239 1.00 0.00 C ATOM 0 H VAL A 98 8.728 -5.715 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 98 7.670 -7.691 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 98 8.629 -8.718 -1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.545 -8.461 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.307 -6.955 0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.540 -7.147 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.662 -10.133 -0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.594 -8.964 -1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.800 -9.872 -2.197 1.00 0.00 H new ATOM 1600 N MET A 99 5.268 -6.898 -2.885 1.00 0.00 N ATOM 1601 CA MET A 99 3.963 -6.257 -3.055 1.00 0.00 C ATOM 1602 C MET A 99 2.921 -7.328 -3.389 1.00 0.00 C ATOM 1603 O MET A 99 2.683 -7.626 -4.569 1.00 0.00 O ATOM 1604 CB MET A 99 4.062 -5.190 -4.172 1.00 0.00 C ATOM 1605 CG MET A 99 2.865 -4.227 -4.284 1.00 0.00 C ATOM 1606 SD MET A 99 1.569 -4.822 -5.393 1.00 0.00 S ATOM 1607 CE MET A 99 2.393 -4.725 -6.988 1.00 0.00 C ATOM 0 H MET A 99 5.373 -7.753 -3.432 1.00 0.00 H new ATOM 0 HA MET A 99 3.656 -5.757 -2.136 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.964 -4.601 -4.008 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.184 -5.701 -5.127 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.441 -4.069 -3.292 1.00 0.00 H new ATOM 0 HG3 MET A 99 3.219 -3.258 -4.637 1.00 0.00 H new ATOM 0 HE1 MET A 99 1.795 -4.122 -7.671 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.374 -4.267 -6.863 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.511 -5.728 -7.398 1.00 0.00 H new ATOM 1617 N GLY A 100 2.355 -7.937 -2.336 1.00 0.00 N ATOM 1618 CA GLY A 100 1.368 -9.002 -2.485 1.00 0.00 C ATOM 1619 C GLY A 100 1.950 -10.248 -3.142 1.00 0.00 C ATOM 1620 O GLY A 100 2.708 -10.993 -2.507 1.00 0.00 O ATOM 0 H GLY A 100 2.571 -7.703 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.970 -9.264 -1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.532 -8.637 -3.081 1.00 0.00 H new ATOM 1624 N ASP A 101 1.627 -10.448 -4.432 1.00 0.00 N ATOM 1625 CA ASP A 101 2.100 -11.601 -5.225 1.00 0.00 C ATOM 1626 C ASP A 101 3.227 -11.195 -6.203 1.00 0.00 C ATOM 1627 O ASP A 101 3.639 -11.994 -7.044 1.00 0.00 O ATOM 1628 CB ASP A 101 0.912 -12.241 -5.993 1.00 0.00 C ATOM 1629 CG ASP A 101 0.387 -11.381 -7.163 1.00 0.00 C ATOM 1630 OD1 ASP A 101 -0.104 -10.265 -6.913 1.00 0.00 O ATOM 1631 OD2 ASP A 101 0.472 -11.817 -8.337 1.00 0.00 O ATOM 0 H ASP A 101 1.028 -9.812 -4.958 1.00 0.00 H new ATOM 0 HA ASP A 101 2.516 -12.337 -4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.223 -13.212 -6.379 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.096 -12.423 -5.294 1.00 0.00 H new ATOM 1636 N LYS A 102 3.745 -9.960 -6.059 1.00 0.00 N ATOM 1637 CA LYS A 102 4.826 -9.421 -6.912 1.00 0.00 C ATOM 1638 C LYS A 102 6.059 -9.125 -6.043 1.00 0.00 C ATOM 1639 O LYS A 102 5.903 -8.768 -4.882 1.00 0.00 O ATOM 1640 CB LYS A 102 4.323 -8.138 -7.631 1.00 0.00 C ATOM 1641 CG LYS A 102 3.108 -8.361 -8.562 1.00 0.00 C ATOM 1642 CD LYS A 102 3.389 -9.414 -9.658 1.00 0.00 C ATOM 1643 CE LYS A 102 2.171 -9.691 -10.548 1.00 0.00 C ATOM 1644 NZ LYS A 102 2.430 -10.796 -11.499 1.00 0.00 N ATOM 0 H LYS A 102 3.425 -9.305 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 102 5.108 -10.151 -7.671 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.057 -7.395 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.142 -7.720 -8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.252 -8.680 -7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 102 2.836 -7.416 -9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.216 -9.072 -10.280 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.708 -10.344 -9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.313 -9.941 -9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 102 1.911 -8.788 -11.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.585 -10.955 -12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.233 -10.546 -12.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.654 -11.663 -10.971 1.00 0.00 H new ATOM 1658 N ILE A 103 7.285 -9.292 -6.593 1.00 0.00 N ATOM 1659 CA ILE A 103 8.535 -9.074 -5.815 1.00 0.00 C ATOM 1660 C ILE A 103 9.760 -8.869 -6.744 1.00 0.00 C ATOM 1661 O ILE A 103 9.800 -9.413 -7.853 1.00 0.00 O ATOM 1662 CB ILE A 103 8.796 -10.282 -4.826 1.00 0.00 C ATOM 1663 CG1 ILE A 103 9.913 -9.960 -3.774 1.00 0.00 C ATOM 1664 CG2 ILE A 103 9.120 -11.577 -5.611 1.00 0.00 C ATOM 1665 CD1 ILE A 103 10.068 -11.001 -2.672 1.00 0.00 C ATOM 0 H ILE A 103 7.438 -9.574 -7.561 1.00 0.00 H new ATOM 0 HA ILE A 103 8.400 -8.163 -5.233 1.00 0.00 H new ATOM 0 HB ILE A 103 7.875 -10.443 -4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.865 -9.857 -4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.695 -8.995 -3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.296 -12.393 -4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.281 -11.829 -6.259 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.012 -11.421 -6.217 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.863 -10.695 -1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.132 -11.089 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.321 -11.965 -3.115 1.00 0.00 H new ATOM 1677 N THR A 104 10.741 -8.066 -6.282 1.00 0.00 N ATOM 1678 CA THR A 104 12.051 -7.892 -6.939 1.00 0.00 C ATOM 1679 C THR A 104 13.170 -7.946 -5.885 1.00 0.00 C ATOM 1680 O THR A 104 13.071 -7.297 -4.835 1.00 0.00 O ATOM 1681 CB THR A 104 12.148 -6.538 -7.720 1.00 0.00 C ATOM 1682 OG1 THR A 104 11.809 -5.438 -6.855 1.00 0.00 O ATOM 1683 CG2 THR A 104 11.244 -6.517 -8.963 1.00 0.00 C ATOM 0 H THR A 104 10.643 -7.513 -5.430 1.00 0.00 H new ATOM 0 HA THR A 104 12.163 -8.703 -7.659 1.00 0.00 H new ATOM 0 HB THR A 104 13.179 -6.437 -8.059 1.00 0.00 H new ATOM 0 HG1 THR A 104 10.834 -5.353 -6.801 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.346 -5.558 -9.471 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.538 -7.319 -9.640 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.206 -6.659 -8.661 1.00 0.00 H new ATOM 1691 N LEU A 105 14.213 -8.746 -6.166 1.00 0.00 N ATOM 1692 CA LEU A 105 15.431 -8.834 -5.331 1.00 0.00 C ATOM 1693 C LEU A 105 16.603 -8.173 -6.059 1.00 0.00 C ATOM 1694 O LEU A 105 16.829 -8.436 -7.251 1.00 0.00 O ATOM 1695 CB LEU A 105 15.778 -10.316 -4.987 1.00 0.00 C ATOM 1696 CG LEU A 105 15.072 -10.928 -3.750 1.00 0.00 C ATOM 1697 CD1 LEU A 105 15.457 -10.172 -2.476 1.00 0.00 C ATOM 1698 CD2 LEU A 105 13.545 -10.991 -3.935 1.00 0.00 C ATOM 0 H LEU A 105 14.238 -9.355 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 105 15.242 -8.310 -4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 105 15.539 -10.931 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 105 16.855 -10.386 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 105 15.418 -11.956 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 105 14.950 -10.619 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 105 16.536 -10.231 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.160 -9.127 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.088 -11.426 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.155 -9.985 -4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.309 -11.607 -4.803 1.00 0.00 H new ATOM 1710 N GLY A 106 17.357 -7.344 -5.313 1.00 0.00 N ATOM 1711 CA GLY A 106 18.530 -6.640 -5.834 1.00 0.00 C ATOM 1712 C GLY A 106 18.213 -5.637 -6.939 1.00 0.00 C ATOM 1713 O GLY A 106 17.040 -5.345 -7.212 1.00 0.00 O ATOM 0 H GLY A 106 17.164 -7.147 -4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.021 -6.117 -5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.241 -7.373 -6.216 1.00 0.00 H new ATOM 1717 N PHE A 107 19.269 -5.106 -7.583 1.00 0.00 N ATOM 1718 CA PHE A 107 19.129 -4.135 -8.679 1.00 0.00 C ATOM 1719 C PHE A 107 19.176 -4.849 -10.039 1.00 0.00 C ATOM 1720 O PHE A 107 20.249 -5.231 -10.523 1.00 0.00 O ATOM 1721 CB PHE A 107 20.218 -3.024 -8.600 1.00 0.00 C ATOM 1722 CG PHE A 107 20.170 -2.013 -9.755 1.00 0.00 C ATOM 1723 CD1 PHE A 107 18.998 -1.314 -10.041 1.00 0.00 C ATOM 1724 CD2 PHE A 107 21.288 -1.771 -10.556 1.00 0.00 C ATOM 1725 CE1 PHE A 107 18.940 -0.411 -11.086 1.00 0.00 C ATOM 1726 CE2 PHE A 107 21.231 -0.865 -11.600 1.00 0.00 C ATOM 1727 CZ PHE A 107 20.057 -0.184 -11.865 1.00 0.00 C ATOM 0 H PHE A 107 20.237 -5.338 -7.358 1.00 0.00 H new ATOM 0 HA PHE A 107 18.158 -3.651 -8.574 1.00 0.00 H new ATOM 0 HB2 PHE A 107 20.106 -2.488 -7.658 1.00 0.00 H new ATOM 0 HB3 PHE A 107 21.201 -3.495 -8.584 1.00 0.00 H new ATOM 0 HD1 PHE A 107 18.120 -1.481 -9.435 1.00 0.00 H new ATOM 0 HD2 PHE A 107 22.210 -2.298 -10.358 1.00 0.00 H new ATOM 0 HE1 PHE A 107 18.021 0.117 -11.293 1.00 0.00 H new ATOM 0 HE2 PHE A 107 22.105 -0.689 -12.209 1.00 0.00 H new ATOM 0 HZ PHE A 107 20.014 0.524 -12.680 1.00 0.00 H new ATOM 1737 N LYS A 108 17.991 -5.066 -10.614 1.00 0.00 N ATOM 1738 CA LYS A 108 17.823 -5.403 -12.032 1.00 0.00 C ATOM 1739 C LYS A 108 16.677 -4.557 -12.586 1.00 0.00 C ATOM 1740 O LYS A 108 15.534 -4.700 -12.140 1.00 0.00 O ATOM 1741 CB LYS A 108 17.515 -6.913 -12.275 1.00 0.00 C ATOM 1742 CG LYS A 108 18.699 -7.883 -12.066 1.00 0.00 C ATOM 1743 CD LYS A 108 18.379 -9.311 -12.575 1.00 0.00 C ATOM 1744 CE LYS A 108 19.579 -10.264 -12.507 1.00 0.00 C ATOM 1745 NZ LYS A 108 19.259 -11.598 -13.081 1.00 0.00 N ATOM 0 H LYS A 108 17.110 -5.012 -10.103 1.00 0.00 H new ATOM 0 HA LYS A 108 18.765 -5.194 -12.539 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.704 -7.211 -11.610 1.00 0.00 H new ATOM 0 HB3 LYS A 108 17.150 -7.030 -13.295 1.00 0.00 H new ATOM 0 HG2 LYS A 108 19.577 -7.501 -12.587 1.00 0.00 H new ATOM 0 HG3 LYS A 108 18.951 -7.924 -11.006 1.00 0.00 H new ATOM 0 HD2 LYS A 108 17.562 -9.725 -11.984 1.00 0.00 H new ATOM 0 HD3 LYS A 108 18.029 -9.252 -13.606 1.00 0.00 H new ATOM 0 HE2 LYS A 108 20.420 -9.828 -13.047 1.00 0.00 H new ATOM 0 HE3 LYS A 108 19.892 -10.381 -11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 20.095 -12.213 -13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 18.473 -12.025 -12.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 18.985 -11.490 -14.078 1.00 0.00 H new ATOM 1759 N GLU A 109 16.998 -3.673 -13.550 1.00 0.00 N ATOM 1760 CA GLU A 109 15.998 -2.931 -14.347 1.00 0.00 C ATOM 1761 C GLU A 109 15.031 -3.927 -15.029 1.00 0.00 C ATOM 1762 O GLU A 109 13.841 -3.650 -15.191 1.00 0.00 O ATOM 1763 CB GLU A 109 16.723 -2.067 -15.412 1.00 0.00 C ATOM 1764 CG GLU A 109 15.793 -1.266 -16.346 1.00 0.00 C ATOM 1765 CD GLU A 109 16.544 -0.568 -17.492 1.00 0.00 C ATOM 1766 OE1 GLU A 109 17.075 0.548 -17.288 1.00 0.00 O ATOM 1767 OE2 GLU A 109 16.640 -1.155 -18.598 1.00 0.00 O ATOM 0 H GLU A 109 17.962 -3.451 -13.800 1.00 0.00 H new ATOM 0 HA GLU A 109 15.422 -2.277 -13.693 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.388 -1.370 -14.901 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.350 -2.718 -16.020 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.044 -1.937 -16.766 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.258 -0.518 -15.761 1.00 0.00 H new ATOM 1774 N ASP A 110 15.595 -5.093 -15.394 1.00 0.00 N ATOM 1775 CA ASP A 110 14.868 -6.227 -15.981 1.00 0.00 C ATOM 1776 C ASP A 110 13.718 -6.697 -15.066 1.00 0.00 C ATOM 1777 O ASP A 110 12.566 -6.758 -15.495 1.00 0.00 O ATOM 1778 CB ASP A 110 15.858 -7.390 -16.245 1.00 0.00 C ATOM 1779 CG ASP A 110 15.192 -8.642 -16.848 1.00 0.00 C ATOM 1780 OD1 ASP A 110 14.936 -8.657 -18.076 1.00 0.00 O ATOM 1781 OD2 ASP A 110 14.927 -9.614 -16.105 1.00 0.00 O ATOM 0 H ASP A 110 16.593 -5.274 -15.285 1.00 0.00 H new ATOM 0 HA ASP A 110 14.424 -5.903 -16.922 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.640 -7.044 -16.920 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.344 -7.663 -15.308 1.00 0.00 H new ATOM 1786 N GLN A 111 14.050 -7.016 -13.802 1.00 0.00 N ATOM 1787 CA GLN A 111 13.059 -7.437 -12.802 1.00 0.00 C ATOM 1788 C GLN A 111 12.037 -6.324 -12.510 1.00 0.00 C ATOM 1789 O GLN A 111 10.850 -6.607 -12.349 1.00 0.00 O ATOM 1790 CB GLN A 111 13.769 -7.885 -11.499 1.00 0.00 C ATOM 1791 CG GLN A 111 14.639 -9.143 -11.652 1.00 0.00 C ATOM 1792 CD GLN A 111 13.835 -10.398 -12.004 1.00 0.00 C ATOM 1793 OE1 GLN A 111 13.640 -10.724 -13.177 1.00 0.00 O ATOM 1794 NE2 GLN A 111 13.352 -11.105 -10.990 1.00 0.00 N ATOM 0 H GLN A 111 15.007 -6.989 -13.449 1.00 0.00 H new ATOM 0 HA GLN A 111 12.509 -8.284 -13.213 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.394 -7.067 -11.140 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.015 -8.070 -10.734 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.384 -8.968 -12.428 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.181 -9.316 -10.722 1.00 0.00 H new ATOM 0 HE21 GLN A 111 13.531 -10.809 -10.031 1.00 0.00 H new ATOM 0 HE22 GLN A 111 12.802 -11.945 -11.170 1.00 0.00 H new ATOM 1803 N TYR A 112 12.502 -5.059 -12.468 1.00 0.00 N ATOM 1804 CA TYR A 112 11.631 -3.904 -12.156 1.00 0.00 C ATOM 1805 C TYR A 112 10.570 -3.687 -13.252 1.00 0.00 C ATOM 1806 O TYR A 112 9.407 -3.429 -12.943 1.00 0.00 O ATOM 1807 CB TYR A 112 12.456 -2.609 -11.956 1.00 0.00 C ATOM 1808 CG TYR A 112 13.466 -2.621 -10.794 1.00 0.00 C ATOM 1809 CD1 TYR A 112 13.244 -3.364 -9.631 1.00 0.00 C ATOM 1810 CD2 TYR A 112 14.645 -1.868 -10.862 1.00 0.00 C ATOM 1811 CE1 TYR A 112 14.157 -3.360 -8.593 1.00 0.00 C ATOM 1812 CE2 TYR A 112 15.552 -1.866 -9.826 1.00 0.00 C ATOM 1813 CZ TYR A 112 15.307 -2.610 -8.698 1.00 0.00 C ATOM 1814 OH TYR A 112 16.223 -2.607 -7.672 1.00 0.00 O ATOM 0 H TYR A 112 13.475 -4.810 -12.646 1.00 0.00 H new ATOM 0 HA TYR A 112 11.121 -4.136 -11.221 1.00 0.00 H new ATOM 0 HB2 TYR A 112 12.998 -2.401 -12.879 1.00 0.00 H new ATOM 0 HB3 TYR A 112 11.763 -1.782 -11.800 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.343 -3.952 -9.542 1.00 0.00 H new ATOM 0 HD2 TYR A 112 14.847 -1.278 -11.744 1.00 0.00 H new ATOM 0 HE1 TYR A 112 13.969 -3.943 -7.703 1.00 0.00 H new ATOM 0 HE2 TYR A 112 16.456 -1.280 -9.900 1.00 0.00 H new ATOM 0 HH TYR A 112 16.409 -3.529 -7.397 1.00 0.00 H new ATOM 1824 N LYS A 113 10.969 -3.809 -14.534 1.00 0.00 N ATOM 1825 CA LYS A 113 10.034 -3.633 -15.665 1.00 0.00 C ATOM 1826 C LYS A 113 9.088 -4.841 -15.771 1.00 0.00 C ATOM 1827 O LYS A 113 7.911 -4.698 -16.116 1.00 0.00 O ATOM 1828 CB LYS A 113 10.794 -3.327 -17.005 1.00 0.00 C ATOM 1829 CG LYS A 113 11.722 -4.444 -17.575 1.00 0.00 C ATOM 1830 CD LYS A 113 10.980 -5.524 -18.408 1.00 0.00 C ATOM 1831 CE LYS A 113 11.884 -6.702 -18.807 1.00 0.00 C ATOM 1832 NZ LYS A 113 11.132 -7.776 -19.501 1.00 0.00 N ATOM 0 H LYS A 113 11.926 -4.027 -14.812 1.00 0.00 H new ATOM 0 HA LYS A 113 9.415 -2.757 -15.471 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.052 -3.085 -17.766 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.398 -2.432 -16.853 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.487 -3.982 -18.199 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.237 -4.930 -16.747 1.00 0.00 H new ATOM 0 HD2 LYS A 113 10.134 -5.901 -17.833 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.573 -5.064 -19.309 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.682 -6.342 -19.456 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.359 -7.111 -17.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 11.747 -8.230 -20.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.819 -8.485 -18.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.302 -7.367 -19.977 1.00 0.00 H new ATOM 1846 N GLU A 114 9.628 -6.022 -15.433 1.00 0.00 N ATOM 1847 CA GLU A 114 8.918 -7.304 -15.557 1.00 0.00 C ATOM 1848 C GLU A 114 7.832 -7.444 -14.474 1.00 0.00 C ATOM 1849 O GLU A 114 6.766 -8.020 -14.715 1.00 0.00 O ATOM 1850 CB GLU A 114 9.940 -8.467 -15.448 1.00 0.00 C ATOM 1851 CG GLU A 114 9.407 -9.848 -15.868 1.00 0.00 C ATOM 1852 CD GLU A 114 9.054 -9.927 -17.366 1.00 0.00 C ATOM 1853 OE1 GLU A 114 9.984 -10.055 -18.196 1.00 0.00 O ATOM 1854 OE2 GLU A 114 7.854 -9.870 -17.722 1.00 0.00 O ATOM 0 H GLU A 114 10.574 -6.115 -15.064 1.00 0.00 H new ATOM 0 HA GLU A 114 8.424 -7.340 -16.528 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.807 -8.227 -16.064 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.289 -8.528 -14.417 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.155 -10.606 -15.636 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.521 -10.084 -15.279 1.00 0.00 H new ATOM 1861 N THR A 115 8.125 -6.904 -13.283 1.00 0.00 N ATOM 1862 CA THR A 115 7.276 -7.065 -12.096 1.00 0.00 C ATOM 1863 C THR A 115 6.411 -5.809 -11.833 1.00 0.00 C ATOM 1864 O THR A 115 5.182 -5.902 -11.717 1.00 0.00 O ATOM 1865 CB THR A 115 8.166 -7.395 -10.857 1.00 0.00 C ATOM 1866 OG1 THR A 115 9.015 -8.515 -11.165 1.00 0.00 O ATOM 1867 CG2 THR A 115 7.346 -7.714 -9.602 1.00 0.00 C ATOM 0 H THR A 115 8.960 -6.342 -13.116 1.00 0.00 H new ATOM 0 HA THR A 115 6.589 -7.892 -12.277 1.00 0.00 H new ATOM 0 HB THR A 115 8.757 -6.505 -10.640 1.00 0.00 H new ATOM 0 HG1 THR A 115 9.821 -8.198 -11.624 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.019 -7.935 -8.774 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.725 -6.856 -9.345 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.710 -8.578 -9.793 1.00 0.00 H new ATOM 1875 N TRP A 116 7.065 -4.632 -11.743 1.00 0.00 N ATOM 1876 CA TRP A 116 6.400 -3.374 -11.334 1.00 0.00 C ATOM 1877 C TRP A 116 5.768 -2.650 -12.527 1.00 0.00 C ATOM 1878 O TRP A 116 4.601 -2.251 -12.474 1.00 0.00 O ATOM 1879 CB TRP A 116 7.397 -2.425 -10.606 1.00 0.00 C ATOM 1880 CG TRP A 116 8.151 -3.067 -9.457 1.00 0.00 C ATOM 1881 CD1 TRP A 116 9.493 -2.974 -9.204 1.00 0.00 C ATOM 1882 CD2 TRP A 116 7.613 -3.903 -8.414 1.00 0.00 C ATOM 1883 NE1 TRP A 116 9.811 -3.679 -8.079 1.00 0.00 N ATOM 1884 CE2 TRP A 116 8.677 -4.259 -7.582 1.00 0.00 C ATOM 1885 CE3 TRP A 116 6.333 -4.383 -8.104 1.00 0.00 C ATOM 1886 CZ2 TRP A 116 8.512 -5.070 -6.468 1.00 0.00 C ATOM 1887 CZ3 TRP A 116 6.173 -5.177 -6.990 1.00 0.00 C ATOM 1888 CH2 TRP A 116 7.258 -5.525 -6.191 1.00 0.00 C ATOM 0 H TRP A 116 8.058 -4.525 -11.949 1.00 0.00 H new ATOM 0 HA TRP A 116 5.603 -3.648 -10.642 1.00 0.00 H new ATOM 0 HB2 TRP A 116 8.118 -2.050 -11.332 1.00 0.00 H new ATOM 0 HB3 TRP A 116 6.848 -1.563 -10.227 1.00 0.00 H new ATOM 0 HD1 TRP A 116 10.199 -2.422 -9.807 1.00 0.00 H new ATOM 0 HE1 TRP A 116 10.744 -3.760 -7.675 1.00 0.00 H new ATOM 0 HE3 TRP A 116 5.487 -4.135 -8.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 9.351 -5.332 -5.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 5.188 -5.536 -6.732 1.00 0.00 H new ATOM 0 HH2 TRP A 116 7.103 -6.167 -5.336 1.00 0.00 H new ATOM 1899 N LEU A 117 6.549 -2.499 -13.604 1.00 0.00 N ATOM 1900 CA LEU A 117 6.180 -1.648 -14.758 1.00 0.00 C ATOM 1901 C LEU A 117 5.403 -2.441 -15.820 1.00 0.00 C ATOM 1902 O LEU A 117 5.156 -3.639 -15.635 1.00 0.00 O ATOM 1903 CB LEU A 117 7.453 -1.034 -15.380 1.00 0.00 C ATOM 1904 CG LEU A 117 8.466 -0.398 -14.385 1.00 0.00 C ATOM 1905 CD1 LEU A 117 9.663 0.183 -15.146 1.00 0.00 C ATOM 1906 CD2 LEU A 117 7.793 0.657 -13.479 1.00 0.00 C ATOM 0 H LEU A 117 7.454 -2.959 -13.707 1.00 0.00 H new ATOM 0 HA LEU A 117 5.528 -0.852 -14.397 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.969 -1.812 -15.943 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.150 -0.270 -16.096 1.00 0.00 H new ATOM 0 HG LEU A 117 8.834 -1.183 -13.724 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.364 0.625 -14.438 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.161 -0.611 -15.702 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.316 0.949 -15.840 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.533 1.078 -12.799 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.374 1.452 -14.096 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.996 0.187 -12.903 1.00 0.00 H new