USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 726 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 23 THR OG1 : rot -138:sc= -0.591 USER MOD Set 1.2: A 31 MET CE :methyl -149:sc= -0.199 (180deg=-0.603) USER MOD Set 2.1: A 5 SER OG : rot 105:sc= 0.987 USER MOD Set 2.2: A 18 GLN : amide:sc= 1.33 K(o=-0.47,f=-2.1) USER MOD Set 2.3: A 75 ASN : amide:sc= -2.78! C(o=-0.47!,f=-5.8!) USER MOD Single : A 0 THR OG1 : rot 9:sc= 0.71 USER MOD Single : A 1 MET CE :methyl -148:sc= -1.68 (180deg=-5.17!) USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0618) USER MOD Single : A 9 SER OG : rot 180:sc= -0.264 USER MOD Single : A -5 GLY N :NH3+ -121:sc= 0.105 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 172:sc=-0.00422 (180deg=-0.0969) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -118:sc= -3.47! (180deg=-5.56!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -169:sc= -0.184 (180deg=-0.501) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 3:sc= -2.07! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 130:sc= 1.17 (180deg=0.0605) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 30:sc= 0.954 USER MOD Single : A 72 MET CE :methyl -157:sc= -0.205 (180deg=-0.839) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -153:sc= -3.34! (180deg=-5.39!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 13.742 -7.948 -14.169 1.00 1.00 N ATOM 2 CA GLY A -5 13.155 -8.230 -12.841 1.00 1.00 C ATOM 3 C GLY A -5 12.895 -6.957 -12.073 1.00 1.00 C ATOM 4 O GLY A -5 13.088 -5.860 -12.600 1.00 1.00 O ATOM 0 H1 GLY A -5 13.124 -8.334 -14.911 1.00 1.00 H new ATOM 0 H2 GLY A -5 13.835 -6.920 -14.296 1.00 1.00 H new ATOM 0 H3 GLY A -5 14.680 -8.391 -14.235 1.00 1.00 H new ATOM 0 HA2 GLY A -5 12.222 -8.780 -12.963 1.00 1.00 H new ATOM 0 HA3 GLY A -5 13.830 -8.869 -12.271 1.00 1.00 H new ATOM 10 N ILE A -4 12.464 -7.091 -10.831 1.00 1.00 N ATOM 11 CA ILE A -4 12.215 -5.934 -9.993 1.00 1.00 C ATOM 12 C ILE A -4 13.073 -5.991 -8.729 1.00 1.00 C ATOM 13 O ILE A -4 12.995 -6.941 -7.944 1.00 1.00 O ATOM 14 CB ILE A -4 10.712 -5.795 -9.638 1.00 1.00 C ATOM 15 CG1 ILE A -4 10.485 -4.594 -8.713 1.00 1.00 C ATOM 16 CG2 ILE A -4 10.173 -7.074 -9.007 1.00 1.00 C ATOM 17 CD1 ILE A -4 9.024 -4.314 -8.428 1.00 1.00 C ATOM 0 H ILE A -4 12.280 -7.988 -10.382 1.00 1.00 H new ATOM 0 HA ILE A -4 12.496 -5.047 -10.561 1.00 1.00 H new ATOM 0 HB ILE A -4 10.163 -5.625 -10.564 1.00 1.00 H new ATOM 0 HG12 ILE A -4 11.003 -4.770 -7.770 1.00 1.00 H new ATOM 0 HG13 ILE A -4 10.934 -3.709 -9.164 1.00 1.00 H new ATOM 0 HG21 ILE A -4 9.117 -6.945 -8.769 1.00 1.00 H new ATOM 0 HG22 ILE A -4 10.289 -7.902 -9.706 1.00 1.00 H new ATOM 0 HG23 ILE A -4 10.727 -7.290 -8.093 1.00 1.00 H new ATOM 0 HD11 ILE A -4 8.941 -3.451 -7.767 1.00 1.00 H new ATOM 0 HD12 ILE A -4 8.504 -4.106 -9.363 1.00 1.00 H new ATOM 0 HD13 ILE A -4 8.574 -5.183 -7.948 1.00 1.00 H new ATOM 29 N ASP A -3 13.917 -4.984 -8.564 1.00 1.00 N ATOM 30 CA ASP A -3 14.816 -4.910 -7.419 1.00 1.00 C ATOM 31 C ASP A -3 14.077 -4.383 -6.200 1.00 1.00 C ATOM 32 O ASP A -3 13.487 -3.304 -6.247 1.00 1.00 O ATOM 33 CB ASP A -3 16.009 -4.004 -7.735 1.00 1.00 C ATOM 34 CG ASP A -3 16.932 -3.831 -6.546 1.00 1.00 C ATOM 35 OD1 ASP A -3 17.870 -4.641 -6.389 1.00 1.00 O ATOM 36 OD2 ASP A -3 16.726 -2.887 -5.759 1.00 1.00 O ATOM 0 H ASP A -3 13.999 -4.201 -9.213 1.00 1.00 H new ATOM 0 HA ASP A -3 15.182 -5.914 -7.204 1.00 1.00 H new ATOM 0 HB2 ASP A -3 16.570 -4.424 -8.569 1.00 1.00 H new ATOM 0 HB3 ASP A -3 15.646 -3.027 -8.055 1.00 1.00 H new ATOM 41 N PRO A -2 14.108 -5.133 -5.088 1.00 1.00 N ATOM 42 CA PRO A -2 13.355 -4.807 -3.873 1.00 1.00 C ATOM 43 C PRO A -2 13.975 -3.674 -3.048 1.00 1.00 C ATOM 44 O PRO A -2 13.678 -3.534 -1.863 1.00 1.00 O ATOM 45 CB PRO A -2 13.362 -6.121 -3.074 1.00 1.00 C ATOM 46 CG PRO A -2 14.019 -7.139 -3.953 1.00 1.00 C ATOM 47 CD PRO A -2 14.868 -6.374 -4.923 1.00 1.00 C ATOM 0 HA PRO A -2 12.358 -4.442 -4.121 1.00 1.00 H new ATOM 0 HB2 PRO A -2 13.908 -6.005 -2.138 1.00 1.00 H new ATOM 0 HB3 PRO A -2 12.348 -6.426 -2.816 1.00 1.00 H new ATOM 0 HG2 PRO A -2 14.626 -7.827 -3.364 1.00 1.00 H new ATOM 0 HG3 PRO A -2 13.275 -7.739 -4.477 1.00 1.00 H new ATOM 0 HD2 PRO A -2 15.868 -6.190 -4.531 1.00 1.00 H new ATOM 0 HD3 PRO A -2 14.988 -6.906 -5.867 1.00 1.00 H new ATOM 55 N PHE A -1 14.843 -2.885 -3.679 1.00 1.00 N ATOM 56 CA PHE A -1 15.353 -1.639 -3.100 1.00 1.00 C ATOM 57 C PHE A -1 16.254 -1.881 -1.885 1.00 1.00 C ATOM 58 O PHE A -1 15.791 -1.878 -0.745 1.00 1.00 O ATOM 59 CB PHE A -1 14.185 -0.706 -2.735 1.00 1.00 C ATOM 60 CG PHE A -1 14.602 0.635 -2.195 1.00 1.00 C ATOM 61 CD1 PHE A -1 15.126 1.603 -3.036 1.00 1.00 C ATOM 62 CD2 PHE A -1 14.461 0.931 -0.848 1.00 1.00 C ATOM 63 CE1 PHE A -1 15.502 2.838 -2.544 1.00 1.00 C ATOM 64 CE2 PHE A -1 14.836 2.164 -0.350 1.00 1.00 C ATOM 65 CZ PHE A -1 15.358 3.119 -1.199 1.00 1.00 C ATOM 0 H PHE A -1 15.214 -3.090 -4.607 1.00 1.00 H new ATOM 0 HA PHE A -1 15.972 -1.159 -3.858 1.00 1.00 H new ATOM 0 HB2 PHE A -1 13.570 -0.551 -3.621 1.00 1.00 H new ATOM 0 HB3 PHE A -1 13.558 -1.203 -1.995 1.00 1.00 H new ATOM 0 HD1 PHE A -1 15.242 1.390 -4.088 1.00 1.00 H new ATOM 0 HD2 PHE A -1 14.053 0.188 -0.179 1.00 1.00 H new ATOM 0 HE1 PHE A -1 15.909 3.584 -3.211 1.00 1.00 H new ATOM 0 HE2 PHE A -1 14.721 2.380 0.702 1.00 1.00 H new ATOM 0 HZ PHE A -1 15.653 4.083 -0.813 1.00 1.00 H new ATOM 75 N THR A 0 17.542 -2.113 -2.155 1.00 1.00 N ATOM 76 CA THR A 0 18.599 -2.182 -1.127 1.00 1.00 C ATOM 77 C THR A 0 18.325 -3.216 -0.025 1.00 1.00 C ATOM 78 O THR A 0 18.993 -3.211 1.014 1.00 1.00 O ATOM 79 CB THR A 0 18.852 -0.799 -0.473 1.00 1.00 C ATOM 80 OG1 THR A 0 17.665 -0.309 0.170 1.00 1.00 O ATOM 81 CG2 THR A 0 19.319 0.211 -1.510 1.00 1.00 C ATOM 0 H THR A 0 17.890 -2.261 -3.102 1.00 1.00 H new ATOM 0 HA THR A 0 19.489 -2.505 -1.666 1.00 1.00 H new ATOM 0 HB THR A 0 19.632 -0.929 0.277 1.00 1.00 H new ATOM 0 HG1 THR A 0 16.984 -1.013 0.179 1.00 1.00 H new ATOM 0 HG21 THR A 0 19.490 1.174 -1.029 1.00 1.00 H new ATOM 0 HG22 THR A 0 20.246 -0.137 -1.965 1.00 1.00 H new ATOM 0 HG23 THR A 0 18.556 0.321 -2.280 1.00 1.00 H new ATOM 89 N MET A 1 17.373 -4.111 -0.260 1.00 1.00 N ATOM 90 CA MET A 1 16.977 -5.112 0.726 1.00 1.00 C ATOM 91 C MET A 1 15.864 -5.967 0.147 1.00 1.00 C ATOM 92 O MET A 1 15.585 -5.886 -1.047 1.00 1.00 O ATOM 93 CB MET A 1 16.496 -4.441 2.021 1.00 1.00 C ATOM 94 CG MET A 1 15.281 -3.541 1.839 1.00 1.00 C ATOM 95 SD MET A 1 14.753 -2.763 3.378 1.00 1.00 S ATOM 96 CE MET A 1 13.402 -1.742 2.790 1.00 1.00 C ATOM 0 H MET A 1 16.854 -4.164 -1.137 1.00 1.00 H new ATOM 0 HA MET A 1 17.840 -5.735 0.964 1.00 1.00 H new ATOM 0 HB2 MET A 1 16.256 -5.214 2.751 1.00 1.00 H new ATOM 0 HB3 MET A 1 17.313 -3.851 2.437 1.00 1.00 H new ATOM 0 HG2 MET A 1 15.514 -2.768 1.107 1.00 1.00 H new ATOM 0 HG3 MET A 1 14.457 -4.128 1.432 1.00 1.00 H new ATOM 0 HE1 MET A 1 13.341 -0.837 3.394 1.00 1.00 H new ATOM 0 HE2 MET A 1 13.576 -1.472 1.748 1.00 1.00 H new ATOM 0 HE3 MET A 1 12.466 -2.295 2.870 1.00 1.00 H new ATOM 106 N VAL A 2 15.237 -6.788 0.976 1.00 1.00 N ATOM 107 CA VAL A 2 14.048 -7.503 0.551 1.00 1.00 C ATOM 108 C VAL A 2 12.803 -6.764 1.050 1.00 1.00 C ATOM 109 O VAL A 2 12.288 -7.009 2.144 1.00 1.00 O ATOM 110 CB VAL A 2 14.050 -8.993 0.995 1.00 1.00 C ATOM 111 CG1 VAL A 2 14.224 -9.140 2.499 1.00 1.00 C ATOM 112 CG2 VAL A 2 12.782 -9.696 0.526 1.00 1.00 C ATOM 0 H VAL A 2 15.529 -6.973 1.936 1.00 1.00 H new ATOM 0 HA VAL A 2 14.039 -7.523 -0.539 1.00 1.00 H new ATOM 0 HB VAL A 2 14.908 -9.471 0.523 1.00 1.00 H new ATOM 0 HG11 VAL A 2 14.219 -10.197 2.764 1.00 1.00 H new ATOM 0 HG12 VAL A 2 15.172 -8.694 2.801 1.00 1.00 H new ATOM 0 HG13 VAL A 2 13.406 -8.634 3.011 1.00 1.00 H new ATOM 0 HG21 VAL A 2 12.803 -10.737 0.847 1.00 1.00 H new ATOM 0 HG22 VAL A 2 11.911 -9.201 0.957 1.00 1.00 H new ATOM 0 HG23 VAL A 2 12.723 -9.653 -0.562 1.00 1.00 H new ATOM 122 N ALA A 3 12.376 -5.793 0.260 1.00 1.00 N ATOM 123 CA ALA A 3 11.209 -4.996 0.587 1.00 1.00 C ATOM 124 C ALA A 3 10.012 -5.458 -0.224 1.00 1.00 C ATOM 125 O ALA A 3 10.169 -5.965 -1.337 1.00 1.00 O ATOM 126 CB ALA A 3 11.489 -3.524 0.329 1.00 1.00 C ATOM 0 H ALA A 3 12.826 -5.537 -0.619 1.00 1.00 H new ATOM 0 HA ALA A 3 10.981 -5.126 1.645 1.00 1.00 H new ATOM 0 HB1 ALA A 3 10.605 -2.936 0.578 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.327 -3.199 0.946 1.00 1.00 H new ATOM 0 HB3 ALA A 3 11.736 -3.379 -0.723 1.00 1.00 H new ATOM 132 N LEU A 4 8.822 -5.261 0.324 1.00 1.00 N ATOM 133 CA LEU A 4 7.601 -5.691 -0.331 1.00 1.00 C ATOM 134 C LEU A 4 7.258 -4.737 -1.463 1.00 1.00 C ATOM 135 O LEU A 4 6.779 -3.626 -1.240 1.00 1.00 O ATOM 136 CB LEU A 4 6.442 -5.762 0.669 1.00 1.00 C ATOM 137 CG LEU A 4 6.654 -6.709 1.852 1.00 1.00 C ATOM 138 CD1 LEU A 4 5.410 -6.749 2.725 1.00 1.00 C ATOM 139 CD2 LEU A 4 7.016 -8.106 1.368 1.00 1.00 C ATOM 0 H LEU A 4 8.678 -4.804 1.224 1.00 1.00 H new ATOM 0 HA LEU A 4 7.761 -6.689 -0.739 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.256 -4.760 1.056 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.542 -6.070 0.136 1.00 1.00 H new ATOM 0 HG LEU A 4 7.485 -6.333 2.449 1.00 1.00 H new ATOM 0 HD11 LEU A 4 5.575 -7.427 3.563 1.00 1.00 H new ATOM 0 HD12 LEU A 4 5.199 -5.749 3.103 1.00 1.00 H new ATOM 0 HD13 LEU A 4 4.563 -7.100 2.136 1.00 1.00 H new ATOM 0 HD21 LEU A 4 7.162 -8.762 2.226 1.00 1.00 H new ATOM 0 HD22 LEU A 4 6.210 -8.496 0.746 1.00 1.00 H new ATOM 0 HD23 LEU A 4 7.936 -8.062 0.784 1.00 1.00 H new ATOM 151 N SER A 5 7.529 -5.175 -2.678 1.00 1.00 N ATOM 152 CA SER A 5 7.305 -4.356 -3.851 1.00 1.00 C ATOM 153 C SER A 5 5.924 -4.625 -4.431 1.00 1.00 C ATOM 154 O SER A 5 5.700 -5.640 -5.089 1.00 1.00 O ATOM 155 CB SER A 5 8.392 -4.646 -4.883 1.00 1.00 C ATOM 156 OG SER A 5 9.681 -4.495 -4.306 1.00 1.00 O ATOM 0 H SER A 5 7.907 -6.101 -2.878 1.00 1.00 H new ATOM 0 HA SER A 5 7.351 -3.303 -3.572 1.00 1.00 H new ATOM 0 HB2 SER A 5 8.276 -5.660 -5.267 1.00 1.00 H new ATOM 0 HB3 SER A 5 8.286 -3.970 -5.731 1.00 1.00 H new ATOM 0 HG SER A 5 10.073 -5.379 -4.145 1.00 1.00 H new ATOM 162 N LEU A 6 4.999 -3.716 -4.178 1.00 1.00 N ATOM 163 CA LEU A 6 3.631 -3.878 -4.633 1.00 1.00 C ATOM 164 C LEU A 6 3.254 -2.773 -5.607 1.00 1.00 C ATOM 165 O LEU A 6 3.889 -1.719 -5.653 1.00 1.00 O ATOM 166 CB LEU A 6 2.651 -3.882 -3.453 1.00 1.00 C ATOM 167 CG LEU A 6 2.477 -5.222 -2.724 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.677 -5.523 -1.840 1.00 1.00 C ATOM 169 CD2 LEU A 6 1.200 -5.204 -1.904 1.00 1.00 C ATOM 0 H LEU A 6 5.172 -2.856 -3.658 1.00 1.00 H new ATOM 0 HA LEU A 6 3.566 -4.840 -5.142 1.00 1.00 H new ATOM 0 HB2 LEU A 6 2.983 -3.138 -2.729 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.675 -3.560 -3.816 1.00 1.00 H new ATOM 0 HG LEU A 6 2.407 -6.014 -3.470 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.527 -6.478 -1.336 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.577 -5.574 -2.453 1.00 1.00 H new ATOM 0 HD13 LEU A 6 3.788 -4.734 -1.097 1.00 1.00 H new ATOM 0 HD21 LEU A 6 1.084 -6.158 -1.390 1.00 1.00 H new ATOM 0 HD22 LEU A 6 1.250 -4.400 -1.170 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.347 -5.041 -2.563 1.00 1.00 H new ATOM 181 N LYS A 7 2.222 -3.025 -6.384 1.00 1.00 N ATOM 182 CA LYS A 7 1.720 -2.048 -7.333 1.00 1.00 C ATOM 183 C LYS A 7 0.557 -1.301 -6.704 1.00 1.00 C ATOM 184 O LYS A 7 -0.485 -1.890 -6.426 1.00 1.00 O ATOM 185 CB LYS A 7 1.272 -2.741 -8.623 1.00 1.00 C ATOM 186 CG LYS A 7 2.324 -3.669 -9.214 1.00 1.00 C ATOM 187 CD LYS A 7 3.582 -2.915 -9.615 1.00 1.00 C ATOM 188 CE LYS A 7 4.699 -3.864 -10.025 1.00 1.00 C ATOM 189 NZ LYS A 7 4.311 -4.741 -11.162 1.00 1.00 N ATOM 0 H LYS A 7 1.709 -3.906 -6.378 1.00 1.00 H new ATOM 0 HA LYS A 7 2.513 -1.343 -7.584 1.00 1.00 H new ATOM 0 HB2 LYS A 7 0.366 -3.313 -8.422 1.00 1.00 H new ATOM 0 HB3 LYS A 7 1.013 -1.983 -9.362 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.579 -4.440 -8.486 1.00 1.00 H new ATOM 0 HG3 LYS A 7 1.912 -4.177 -10.086 1.00 1.00 H new ATOM 0 HD2 LYS A 7 3.355 -2.241 -10.441 1.00 1.00 H new ATOM 0 HD3 LYS A 7 3.917 -2.297 -8.782 1.00 1.00 H new ATOM 0 HE2 LYS A 7 5.580 -3.285 -10.301 1.00 1.00 H new ATOM 0 HE3 LYS A 7 4.978 -4.482 -9.172 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 5.139 -5.283 -11.480 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 3.565 -5.397 -10.855 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 3.958 -4.157 -11.946 1.00 1.00 H new ATOM 203 N ILE A 8 0.744 -0.019 -6.453 1.00 1.00 N ATOM 204 CA ILE A 8 -0.281 0.777 -5.803 1.00 1.00 C ATOM 205 C ILE A 8 -1.036 1.618 -6.819 1.00 1.00 C ATOM 206 O ILE A 8 -0.448 2.432 -7.530 1.00 1.00 O ATOM 207 CB ILE A 8 0.310 1.696 -4.712 1.00 1.00 C ATOM 208 CG1 ILE A 8 0.990 0.861 -3.621 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.777 2.578 -4.114 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.063 -0.115 -2.926 1.00 1.00 C ATOM 0 H ILE A 8 1.594 0.493 -6.689 1.00 1.00 H new ATOM 0 HA ILE A 8 -0.970 0.079 -5.327 1.00 1.00 H new ATOM 0 HB ILE A 8 1.061 2.340 -5.169 1.00 1.00 H new ATOM 0 HG12 ILE A 8 1.818 0.308 -4.064 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.418 1.533 -2.877 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.344 3.220 -3.347 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.217 3.195 -4.897 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.550 1.952 -3.669 1.00 1.00 H new ATOM 0 HD11 ILE A 8 0.618 -0.668 -2.168 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.752 0.432 -2.452 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -0.346 -0.812 -3.657 1.00 1.00 H new ATOM 222 N SER A 9 -2.335 1.402 -6.894 1.00 1.00 N ATOM 223 CA SER A 9 -3.171 2.141 -7.814 1.00 1.00 C ATOM 224 C SER A 9 -3.967 3.211 -7.077 1.00 1.00 C ATOM 225 O SER A 9 -4.853 2.901 -6.277 1.00 1.00 O ATOM 226 CB SER A 9 -4.119 1.185 -8.536 1.00 1.00 C ATOM 227 OG SER A 9 -4.687 1.794 -9.686 1.00 1.00 O ATOM 0 H SER A 9 -2.834 0.718 -6.326 1.00 1.00 H new ATOM 0 HA SER A 9 -2.531 2.633 -8.547 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.578 0.285 -8.828 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.913 0.874 -7.857 1.00 1.00 H new ATOM 0 HG SER A 9 -5.288 1.159 -10.129 1.00 1.00 H new ATOM 233 N ILE A 10 -3.633 4.463 -7.333 1.00 1.00 N ATOM 234 CA ILE A 10 -4.384 5.583 -6.793 1.00 1.00 C ATOM 235 C ILE A 10 -5.340 6.104 -7.860 1.00 1.00 C ATOM 236 O ILE A 10 -4.942 6.860 -8.751 1.00 1.00 O ATOM 237 CB ILE A 10 -3.452 6.724 -6.319 1.00 1.00 C ATOM 238 CG1 ILE A 10 -2.490 6.212 -5.238 1.00 1.00 C ATOM 239 CG2 ILE A 10 -4.268 7.898 -5.789 1.00 1.00 C ATOM 240 CD1 ILE A 10 -1.396 7.192 -4.884 1.00 1.00 C ATOM 0 H ILE A 10 -2.840 4.731 -7.916 1.00 1.00 H new ATOM 0 HA ILE A 10 -4.942 5.234 -5.925 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.868 7.068 -7.172 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -3.060 5.977 -4.339 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -2.036 5.282 -5.580 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -3.595 8.690 -5.461 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -4.916 8.277 -6.579 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -4.877 7.567 -4.948 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -0.756 6.761 -4.114 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -0.801 7.409 -5.771 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -1.841 8.115 -4.511 1.00 1.00 H new ATOM 252 N GLY A 11 -6.583 5.649 -7.800 1.00 1.00 N ATOM 253 CA GLY A 11 -7.560 6.026 -8.800 1.00 1.00 C ATOM 254 C GLY A 11 -7.314 5.315 -10.114 1.00 1.00 C ATOM 255 O GLY A 11 -7.823 4.214 -10.343 1.00 1.00 O ATOM 0 H GLY A 11 -6.933 5.024 -7.074 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.561 5.789 -8.439 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -7.524 7.104 -8.956 1.00 1.00 H new ATOM 259 N ASN A 12 -6.527 5.939 -10.976 1.00 1.00 N ATOM 260 CA ASN A 12 -6.149 5.334 -12.248 1.00 1.00 C ATOM 261 C ASN A 12 -4.634 5.293 -12.385 1.00 1.00 C ATOM 262 O ASN A 12 -4.098 4.719 -13.334 1.00 1.00 O ATOM 263 CB ASN A 12 -6.760 6.101 -13.426 1.00 1.00 C ATOM 264 CG ASN A 12 -8.276 6.025 -13.454 1.00 1.00 C ATOM 265 OD1 ASN A 12 -8.962 6.871 -12.884 1.00 1.00 O ATOM 266 ND2 ASN A 12 -8.807 5.011 -14.122 1.00 1.00 N ATOM 0 H ASN A 12 -6.135 6.868 -10.819 1.00 1.00 H new ATOM 0 HA ASN A 12 -6.536 4.315 -12.264 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -6.454 7.146 -13.371 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -6.363 5.701 -14.359 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -9.821 4.911 -14.177 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -8.202 4.330 -14.581 1.00 1.00 H new ATOM 273 N VAL A 13 -3.943 5.892 -11.424 1.00 1.00 N ATOM 274 CA VAL A 13 -2.490 5.960 -11.462 1.00 1.00 C ATOM 275 C VAL A 13 -1.877 4.772 -10.731 1.00 1.00 C ATOM 276 O VAL A 13 -1.988 4.656 -9.512 1.00 1.00 O ATOM 277 CB VAL A 13 -1.966 7.269 -10.836 1.00 1.00 C ATOM 278 CG1 VAL A 13 -0.456 7.369 -10.980 1.00 1.00 C ATOM 279 CG2 VAL A 13 -2.644 8.476 -11.465 1.00 1.00 C ATOM 0 H VAL A 13 -4.366 6.337 -10.610 1.00 1.00 H new ATOM 0 HA VAL A 13 -2.195 5.935 -12.511 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.208 7.256 -9.773 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -0.109 8.300 -10.532 1.00 1.00 H new ATOM 0 HG12 VAL A 13 0.014 6.525 -10.475 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -0.189 7.354 -12.037 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -2.260 9.388 -11.009 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -2.439 8.492 -12.535 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -3.720 8.415 -11.302 1.00 1.00 H new ATOM 289 N VAL A 14 -1.249 3.882 -11.483 1.00 1.00 N ATOM 290 CA VAL A 14 -0.605 2.711 -10.905 1.00 1.00 C ATOM 291 C VAL A 14 0.896 2.945 -10.765 1.00 1.00 C ATOM 292 O VAL A 14 1.616 3.024 -11.760 1.00 1.00 O ATOM 293 CB VAL A 14 -0.841 1.448 -11.763 1.00 1.00 C ATOM 294 CG1 VAL A 14 -0.255 0.218 -11.086 1.00 1.00 C ATOM 295 CG2 VAL A 14 -2.325 1.252 -12.042 1.00 1.00 C ATOM 0 H VAL A 14 -1.171 3.948 -12.498 1.00 1.00 H new ATOM 0 HA VAL A 14 -1.049 2.551 -9.922 1.00 1.00 H new ATOM 0 HB VAL A 14 -0.331 1.588 -12.716 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -0.433 -0.659 -11.708 1.00 1.00 H new ATOM 0 HG12 VAL A 14 0.818 0.354 -10.949 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.729 0.076 -10.115 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.466 0.357 -12.648 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -2.861 1.141 -11.099 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -2.712 2.118 -12.579 1.00 1.00 H new ATOM 305 N LYS A 15 1.357 3.065 -9.532 1.00 1.00 N ATOM 306 CA LYS A 15 2.770 3.290 -9.259 1.00 1.00 C ATOM 307 C LYS A 15 3.348 2.132 -8.460 1.00 1.00 C ATOM 308 O LYS A 15 2.698 1.605 -7.554 1.00 1.00 O ATOM 309 CB LYS A 15 2.967 4.601 -8.489 1.00 1.00 C ATOM 310 CG LYS A 15 2.699 5.850 -9.315 1.00 1.00 C ATOM 311 CD LYS A 15 3.728 6.025 -10.414 1.00 1.00 C ATOM 312 CE LYS A 15 3.388 7.210 -11.298 1.00 1.00 C ATOM 313 NZ LYS A 15 3.424 8.498 -10.555 1.00 1.00 N ATOM 0 H LYS A 15 0.772 3.010 -8.699 1.00 1.00 H new ATOM 0 HA LYS A 15 3.294 3.359 -10.212 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.307 4.603 -7.621 1.00 1.00 H new ATOM 0 HB3 LYS A 15 3.989 4.639 -8.113 1.00 1.00 H new ATOM 0 HG2 LYS A 15 1.703 5.789 -9.755 1.00 1.00 H new ATOM 0 HG3 LYS A 15 2.708 6.725 -8.665 1.00 1.00 H new ATOM 0 HD2 LYS A 15 4.715 6.168 -9.973 1.00 1.00 H new ATOM 0 HD3 LYS A 15 3.777 5.119 -11.018 1.00 1.00 H new ATOM 0 HE2 LYS A 15 4.091 7.253 -12.130 1.00 1.00 H new ATOM 0 HE3 LYS A 15 2.396 7.068 -11.726 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 3.320 9.288 -11.224 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 2.646 8.523 -9.866 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 4.332 8.585 -10.055 1.00 1.00 H new ATOM 327 N THR A 16 4.557 1.724 -8.806 1.00 1.00 N ATOM 328 CA THR A 16 5.240 0.674 -8.075 1.00 1.00 C ATOM 329 C THR A 16 5.766 1.215 -6.750 1.00 1.00 C ATOM 330 O THR A 16 6.639 2.084 -6.726 1.00 1.00 O ATOM 331 CB THR A 16 6.413 0.094 -8.888 1.00 1.00 C ATOM 332 OG1 THR A 16 5.967 -0.306 -10.192 1.00 1.00 O ATOM 333 CG2 THR A 16 7.027 -1.103 -8.174 1.00 1.00 C ATOM 0 H THR A 16 5.086 2.106 -9.590 1.00 1.00 H new ATOM 0 HA THR A 16 4.519 -0.123 -7.890 1.00 1.00 H new ATOM 0 HB THR A 16 7.170 0.872 -8.987 1.00 1.00 H new ATOM 0 HG1 THR A 16 6.722 -0.671 -10.698 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.853 -1.496 -8.767 1.00 1.00 H new ATOM 0 HG22 THR A 16 7.397 -0.793 -7.197 1.00 1.00 H new ATOM 0 HG23 THR A 16 6.271 -1.878 -8.047 1.00 1.00 H new ATOM 341 N MET A 17 5.227 0.712 -5.655 1.00 1.00 N ATOM 342 CA MET A 17 5.636 1.156 -4.337 1.00 1.00 C ATOM 343 C MET A 17 6.287 0.023 -3.574 1.00 1.00 C ATOM 344 O MET A 17 5.802 -1.107 -3.576 1.00 1.00 O ATOM 345 CB MET A 17 4.449 1.702 -3.556 1.00 1.00 C ATOM 346 CG MET A 17 4.031 3.093 -3.991 1.00 1.00 C ATOM 347 SD MET A 17 5.288 4.333 -3.622 1.00 1.00 S ATOM 348 CE MET A 17 5.441 4.131 -1.846 1.00 1.00 C ATOM 0 H MET A 17 4.503 -0.006 -5.653 1.00 1.00 H new ATOM 0 HA MET A 17 6.364 1.958 -4.462 1.00 1.00 H new ATOM 0 HB2 MET A 17 3.604 1.024 -3.672 1.00 1.00 H new ATOM 0 HB3 MET A 17 4.699 1.721 -2.495 1.00 1.00 H new ATOM 0 HG2 MET A 17 3.829 3.091 -5.062 1.00 1.00 H new ATOM 0 HG3 MET A 17 3.100 3.363 -3.492 1.00 1.00 H new ATOM 0 HE1 MET A 17 5.157 5.058 -1.349 1.00 1.00 H new ATOM 0 HE2 MET A 17 4.786 3.325 -1.514 1.00 1.00 H new ATOM 0 HE3 MET A 17 6.473 3.886 -1.595 1.00 1.00 H new ATOM 358 N GLN A 18 7.389 0.332 -2.923 1.00 1.00 N ATOM 359 CA GLN A 18 8.156 -0.674 -2.221 1.00 1.00 C ATOM 360 C GLN A 18 8.145 -0.394 -0.729 1.00 1.00 C ATOM 361 O GLN A 18 8.776 0.549 -0.253 1.00 1.00 O ATOM 362 CB GLN A 18 9.579 -0.722 -2.768 1.00 1.00 C ATOM 363 CG GLN A 18 9.614 -0.863 -4.281 1.00 1.00 C ATOM 364 CD GLN A 18 11.001 -1.106 -4.825 1.00 1.00 C ATOM 365 OE1 GLN A 18 11.737 -0.170 -5.141 1.00 1.00 O ATOM 366 NE2 GLN A 18 11.361 -2.370 -4.956 1.00 1.00 N ATOM 0 H GLN A 18 7.774 1.275 -2.866 1.00 1.00 H new ATOM 0 HA GLN A 18 7.700 -1.651 -2.381 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.108 0.186 -2.478 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.111 -1.559 -2.315 1.00 1.00 H new ATOM 0 HG2 GLN A 18 8.965 -1.687 -4.577 1.00 1.00 H new ATOM 0 HG3 GLN A 18 9.207 0.042 -4.733 1.00 1.00 H new ATOM 0 HE21 GLN A 18 10.720 -3.114 -4.682 1.00 1.00 H new ATOM 0 HE22 GLN A 18 12.280 -2.602 -5.332 1.00 1.00 H new ATOM 375 N PHE A 19 7.400 -1.210 -0.010 1.00 1.00 N ATOM 376 CA PHE A 19 7.241 -1.051 1.422 1.00 1.00 C ATOM 377 C PHE A 19 8.116 -2.063 2.149 1.00 1.00 C ATOM 378 O PHE A 19 8.768 -2.887 1.520 1.00 1.00 O ATOM 379 CB PHE A 19 5.781 -1.268 1.818 1.00 1.00 C ATOM 380 CG PHE A 19 4.788 -0.421 1.065 1.00 1.00 C ATOM 381 CD1 PHE A 19 4.558 0.894 1.436 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.065 -0.948 0.000 1.00 1.00 C ATOM 383 CE1 PHE A 19 3.631 1.668 0.765 1.00 1.00 C ATOM 384 CE2 PHE A 19 3.140 -0.176 -0.675 1.00 1.00 C ATOM 385 CZ PHE A 19 2.922 1.133 -0.292 1.00 1.00 C ATOM 0 H PHE A 19 6.888 -2.001 -0.401 1.00 1.00 H new ATOM 0 HA PHE A 19 7.540 -0.040 1.699 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.530 -2.318 1.666 1.00 1.00 H new ATOM 0 HB3 PHE A 19 5.675 -1.066 2.884 1.00 1.00 H new ATOM 0 HD1 PHE A 19 5.111 1.320 2.261 1.00 1.00 H new ATOM 0 HD2 PHE A 19 4.229 -1.972 -0.302 1.00 1.00 H new ATOM 0 HE1 PHE A 19 3.461 2.691 1.067 1.00 1.00 H new ATOM 0 HE2 PHE A 19 2.587 -0.596 -1.502 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.198 1.737 -0.819 1.00 1.00 H new ATOM 395 N GLU A 20 8.123 -2.015 3.465 1.00 1.00 N ATOM 396 CA GLU A 20 8.853 -2.994 4.250 1.00 1.00 C ATOM 397 C GLU A 20 7.892 -4.056 4.765 1.00 1.00 C ATOM 398 O GLU A 20 6.695 -3.803 4.900 1.00 1.00 O ATOM 399 CB GLU A 20 9.550 -2.323 5.433 1.00 1.00 C ATOM 400 CG GLU A 20 10.504 -1.212 5.040 1.00 1.00 C ATOM 401 CD GLU A 20 11.047 -0.484 6.245 1.00 1.00 C ATOM 402 OE1 GLU A 20 11.798 -1.101 7.028 1.00 1.00 O ATOM 403 OE2 GLU A 20 10.709 0.700 6.434 1.00 1.00 O ATOM 0 H GLU A 20 7.632 -1.310 4.015 1.00 1.00 H new ATOM 0 HA GLU A 20 9.608 -3.457 3.614 1.00 1.00 H new ATOM 0 HB2 GLU A 20 8.793 -1.917 6.104 1.00 1.00 H new ATOM 0 HB3 GLU A 20 10.100 -3.079 5.993 1.00 1.00 H new ATOM 0 HG2 GLU A 20 11.331 -1.630 4.465 1.00 1.00 H new ATOM 0 HG3 GLU A 20 9.989 -0.505 4.390 1.00 1.00 H new ATOM 410 N PRO A 21 8.389 -5.264 5.056 1.00 1.00 N ATOM 411 CA PRO A 21 7.572 -6.316 5.660 1.00 1.00 C ATOM 412 C PRO A 21 7.007 -5.878 7.009 1.00 1.00 C ATOM 413 O PRO A 21 5.898 -6.256 7.387 1.00 1.00 O ATOM 414 CB PRO A 21 8.549 -7.482 5.837 1.00 1.00 C ATOM 415 CG PRO A 21 9.657 -7.207 4.879 1.00 1.00 C ATOM 416 CD PRO A 21 9.768 -5.713 4.799 1.00 1.00 C ATOM 0 HA PRO A 21 6.708 -6.572 5.047 1.00 1.00 H new ATOM 0 HB2 PRO A 21 8.917 -7.536 6.861 1.00 1.00 H new ATOM 0 HB3 PRO A 21 8.068 -8.436 5.621 1.00 1.00 H new ATOM 0 HG2 PRO A 21 10.591 -7.650 5.224 1.00 1.00 H new ATOM 0 HG3 PRO A 21 9.443 -7.636 3.900 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.465 -5.320 5.539 1.00 1.00 H new ATOM 0 HD3 PRO A 21 10.123 -5.386 3.822 1.00 1.00 H new ATOM 424 N SER A 22 7.771 -5.058 7.719 1.00 1.00 N ATOM 425 CA SER A 22 7.361 -4.568 9.026 1.00 1.00 C ATOM 426 C SER A 22 6.631 -3.229 8.911 1.00 1.00 C ATOM 427 O SER A 22 6.370 -2.564 9.917 1.00 1.00 O ATOM 428 CB SER A 22 8.581 -4.430 9.929 1.00 1.00 C ATOM 429 OG SER A 22 9.339 -5.630 9.943 1.00 1.00 O ATOM 0 H SER A 22 8.681 -4.718 7.409 1.00 1.00 H new ATOM 0 HA SER A 22 6.669 -5.288 9.462 1.00 1.00 H new ATOM 0 HB2 SER A 22 9.204 -3.606 9.582 1.00 1.00 H new ATOM 0 HB3 SER A 22 8.263 -4.184 10.942 1.00 1.00 H new ATOM 0 HG SER A 22 10.118 -5.518 10.527 1.00 1.00 H new ATOM 435 N THR A 23 6.305 -2.835 7.687 1.00 1.00 N ATOM 436 CA THR A 23 5.553 -1.615 7.464 1.00 1.00 C ATOM 437 C THR A 23 4.099 -1.812 7.860 1.00 1.00 C ATOM 438 O THR A 23 3.412 -2.690 7.336 1.00 1.00 O ATOM 439 CB THR A 23 5.636 -1.157 5.994 1.00 1.00 C ATOM 440 OG1 THR A 23 6.984 -0.804 5.677 1.00 1.00 O ATOM 441 CG2 THR A 23 4.730 0.033 5.724 1.00 1.00 C ATOM 0 H THR A 23 6.550 -3.344 6.838 1.00 1.00 H new ATOM 0 HA THR A 23 5.997 -0.838 8.086 1.00 1.00 H new ATOM 0 HB THR A 23 5.304 -1.985 5.368 1.00 1.00 H new ATOM 0 HG1 THR A 23 6.990 0.014 5.138 1.00 1.00 H new ATOM 0 HG21 THR A 23 4.816 0.326 4.678 1.00 1.00 H new ATOM 0 HG22 THR A 23 3.697 -0.240 5.940 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.026 0.867 6.360 1.00 1.00 H new ATOM 449 N MET A 24 3.652 -1.012 8.814 1.00 1.00 N ATOM 450 CA MET A 24 2.263 -1.028 9.238 1.00 1.00 C ATOM 451 C MET A 24 1.427 -0.265 8.220 1.00 1.00 C ATOM 452 O MET A 24 1.958 0.562 7.485 1.00 1.00 O ATOM 453 CB MET A 24 2.133 -0.386 10.618 1.00 1.00 C ATOM 454 CG MET A 24 3.104 -0.943 11.650 1.00 1.00 C ATOM 455 SD MET A 24 2.806 -2.679 12.038 1.00 1.00 S ATOM 456 CE MET A 24 1.207 -2.570 12.837 1.00 1.00 C ATOM 0 H MET A 24 4.236 -0.340 9.312 1.00 1.00 H new ATOM 0 HA MET A 24 1.908 -2.057 9.301 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.293 0.688 10.525 1.00 1.00 H new ATOM 0 HB3 MET A 24 1.114 -0.526 10.979 1.00 1.00 H new ATOM 0 HG2 MET A 24 4.123 -0.829 11.280 1.00 1.00 H new ATOM 0 HG3 MET A 24 3.030 -0.355 12.565 1.00 1.00 H new ATOM 0 HE1 MET A 24 0.970 -3.524 13.309 1.00 1.00 H new ATOM 0 HE2 MET A 24 1.231 -1.786 13.594 1.00 1.00 H new ATOM 0 HE3 MET A 24 0.445 -2.334 12.095 1.00 1.00 H new ATOM 466 N VAL A 25 0.132 -0.531 8.167 1.00 1.00 N ATOM 467 CA VAL A 25 -0.726 0.101 7.169 1.00 1.00 C ATOM 468 C VAL A 25 -0.758 1.626 7.324 1.00 1.00 C ATOM 469 O VAL A 25 -0.747 2.346 6.325 1.00 1.00 O ATOM 470 CB VAL A 25 -2.154 -0.481 7.199 1.00 1.00 C ATOM 471 CG1 VAL A 25 -3.078 0.278 6.255 1.00 1.00 C ATOM 472 CG2 VAL A 25 -2.117 -1.956 6.830 1.00 1.00 C ATOM 0 H VAL A 25 -0.348 -1.174 8.796 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.291 -0.122 6.195 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.548 -0.373 8.210 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -4.077 -0.155 6.298 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -3.123 1.325 6.554 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.695 0.208 5.237 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -3.128 -2.362 6.853 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.702 -2.070 5.828 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.494 -2.494 7.544 1.00 1.00 H new ATOM 482 N TYR A 26 -0.761 2.123 8.563 1.00 1.00 N ATOM 483 CA TYR A 26 -0.731 3.575 8.792 1.00 1.00 C ATOM 484 C TYR A 26 0.611 4.150 8.351 1.00 1.00 C ATOM 485 O TYR A 26 0.735 5.337 8.056 1.00 1.00 O ATOM 486 CB TYR A 26 -0.990 3.926 10.268 1.00 1.00 C ATOM 487 CG TYR A 26 0.111 3.509 11.222 1.00 1.00 C ATOM 488 CD1 TYR A 26 1.200 4.340 11.468 1.00 1.00 C ATOM 489 CD2 TYR A 26 0.061 2.290 11.879 1.00 1.00 C ATOM 490 CE1 TYR A 26 2.206 3.961 12.334 1.00 1.00 C ATOM 491 CE2 TYR A 26 1.061 1.906 12.749 1.00 1.00 C ATOM 492 CZ TYR A 26 2.131 2.743 12.972 1.00 1.00 C ATOM 493 OH TYR A 26 3.132 2.355 13.831 1.00 1.00 O ATOM 0 H TYR A 26 -0.783 1.556 9.411 1.00 1.00 H new ATOM 0 HA TYR A 26 -1.530 4.017 8.197 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -1.135 5.003 10.351 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -1.921 3.454 10.581 1.00 1.00 H new ATOM 0 HD1 TYR A 26 1.259 5.298 10.973 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -0.775 1.629 11.707 1.00 1.00 H new ATOM 0 HE1 TYR A 26 3.047 4.616 12.510 1.00 1.00 H new ATOM 0 HE2 TYR A 26 1.004 0.952 13.253 1.00 1.00 H new ATOM 0 HH TYR A 26 2.924 1.470 14.197 1.00 1.00 H new ATOM 503 N ASP A 27 1.616 3.294 8.321 1.00 1.00 N ATOM 504 CA ASP A 27 2.948 3.692 7.886 1.00 1.00 C ATOM 505 C ASP A 27 3.014 3.673 6.363 1.00 1.00 C ATOM 506 O ASP A 27 3.628 4.533 5.740 1.00 1.00 O ATOM 507 CB ASP A 27 4.000 2.757 8.493 1.00 1.00 C ATOM 508 CG ASP A 27 5.424 3.112 8.105 1.00 1.00 C ATOM 509 OD1 ASP A 27 5.827 4.279 8.288 1.00 1.00 O ATOM 510 OD2 ASP A 27 6.157 2.212 7.644 1.00 1.00 O ATOM 0 H ASP A 27 1.537 2.314 8.593 1.00 1.00 H new ATOM 0 HA ASP A 27 3.157 4.705 8.230 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.912 2.780 9.579 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.790 1.735 8.178 1.00 1.00 H new ATOM 515 N ALA A 28 2.338 2.696 5.775 1.00 1.00 N ATOM 516 CA ALA A 28 2.289 2.551 4.328 1.00 1.00 C ATOM 517 C ALA A 28 1.506 3.690 3.679 1.00 1.00 C ATOM 518 O ALA A 28 1.905 4.211 2.635 1.00 1.00 O ATOM 519 CB ALA A 28 1.682 1.210 3.957 1.00 1.00 C ATOM 0 H ALA A 28 1.811 1.986 6.284 1.00 1.00 H new ATOM 0 HA ALA A 28 3.311 2.595 3.950 1.00 1.00 H new ATOM 0 HB1 ALA A 28 1.650 1.113 2.872 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.289 0.407 4.376 1.00 1.00 H new ATOM 0 HB3 ALA A 28 0.670 1.146 4.357 1.00 1.00 H new ATOM 525 N CYS A 29 0.390 4.080 4.292 1.00 1.00 N ATOM 526 CA CYS A 29 -0.397 5.197 3.779 1.00 1.00 C ATOM 527 C CYS A 29 0.390 6.497 3.920 1.00 1.00 C ATOM 528 O CYS A 29 0.292 7.396 3.080 1.00 1.00 O ATOM 529 CB CYS A 29 -1.751 5.297 4.497 1.00 1.00 C ATOM 530 SG CYS A 29 -1.652 5.506 6.284 1.00 1.00 S ATOM 0 H CYS A 29 0.015 3.645 5.134 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.598 5.021 2.722 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -2.306 6.136 4.078 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -2.326 4.396 4.283 1.00 1.00 H new ATOM 0 HG CYS A 29 -0.406 5.605 6.641 1.00 1.00 H new ATOM 536 N ARG A 30 1.196 6.572 4.972 1.00 1.00 N ATOM 537 CA ARG A 30 2.061 7.719 5.195 1.00 1.00 C ATOM 538 C ARG A 30 3.171 7.758 4.147 1.00 1.00 C ATOM 539 O ARG A 30 3.617 8.829 3.741 1.00 1.00 O ATOM 540 CB ARG A 30 2.645 7.667 6.607 1.00 1.00 C ATOM 541 CG ARG A 30 3.574 8.823 6.933 1.00 1.00 C ATOM 542 CD ARG A 30 3.986 8.804 8.395 1.00 1.00 C ATOM 543 NE ARG A 30 4.565 7.519 8.780 1.00 1.00 N ATOM 544 CZ ARG A 30 4.674 7.097 10.037 1.00 1.00 C ATOM 545 NH1 ARG A 30 4.294 7.882 11.041 1.00 1.00 N ATOM 546 NH2 ARG A 30 5.176 5.894 10.291 1.00 1.00 N ATOM 0 H ARG A 30 1.267 5.847 5.686 1.00 1.00 H new ATOM 0 HA ARG A 30 1.473 8.632 5.099 1.00 1.00 H new ATOM 0 HB2 ARG A 30 1.827 7.657 7.327 1.00 1.00 H new ATOM 0 HB3 ARG A 30 3.189 6.731 6.730 1.00 1.00 H new ATOM 0 HG2 ARG A 30 4.461 8.768 6.302 1.00 1.00 H new ATOM 0 HG3 ARG A 30 3.078 9.766 6.705 1.00 1.00 H new ATOM 0 HD2 ARG A 30 4.710 9.598 8.579 1.00 1.00 H new ATOM 0 HD3 ARG A 30 3.118 9.013 9.020 1.00 1.00 H new ATOM 0 HE ARG A 30 4.907 6.907 8.039 1.00 1.00 H new ATOM 0 HH11 ARG A 30 3.918 8.810 10.848 1.00 1.00 H new ATOM 0 HH12 ARG A 30 4.379 7.556 12.004 1.00 1.00 H new ATOM 0 HH21 ARG A 30 5.478 5.295 9.523 1.00 1.00 H new ATOM 0 HH22 ARG A 30 5.260 5.569 11.254 1.00 1.00 H new ATOM 560 N MET A 31 3.606 6.588 3.700 1.00 1.00 N ATOM 561 CA MET A 31 4.582 6.513 2.623 1.00 1.00 C ATOM 562 C MET A 31 3.983 7.038 1.326 1.00 1.00 C ATOM 563 O MET A 31 4.611 7.828 0.623 1.00 1.00 O ATOM 564 CB MET A 31 5.086 5.080 2.422 1.00 1.00 C ATOM 565 CG MET A 31 5.969 4.573 3.548 1.00 1.00 C ATOM 566 SD MET A 31 6.715 2.975 3.172 1.00 1.00 S ATOM 567 CE MET A 31 7.646 2.677 4.673 1.00 1.00 C ATOM 0 H MET A 31 3.301 5.685 4.063 1.00 1.00 H new ATOM 0 HA MET A 31 5.431 7.135 2.904 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.228 4.415 2.319 1.00 1.00 H new ATOM 0 HB3 MET A 31 5.643 5.029 1.486 1.00 1.00 H new ATOM 0 HG2 MET A 31 6.756 5.301 3.744 1.00 1.00 H new ATOM 0 HG3 MET A 31 5.378 4.489 4.460 1.00 1.00 H new ATOM 0 HE1 MET A 31 8.537 2.095 4.439 1.00 1.00 H new ATOM 0 HE2 MET A 31 7.940 3.629 5.114 1.00 1.00 H new ATOM 0 HE3 MET A 31 7.028 2.125 5.381 1.00 1.00 H new ATOM 577 N ILE A 32 2.758 6.614 1.019 1.00 1.00 N ATOM 578 CA ILE A 32 2.096 7.038 -0.211 1.00 1.00 C ATOM 579 C ILE A 32 1.915 8.553 -0.257 1.00 1.00 C ATOM 580 O ILE A 32 2.159 9.168 -1.291 1.00 1.00 O ATOM 581 CB ILE A 32 0.727 6.337 -0.431 1.00 1.00 C ATOM 582 CG1 ILE A 32 0.940 4.872 -0.819 1.00 1.00 C ATOM 583 CG2 ILE A 32 -0.083 7.060 -1.499 1.00 1.00 C ATOM 584 CD1 ILE A 32 1.665 4.699 -2.135 1.00 1.00 C ATOM 0 H ILE A 32 2.208 5.982 1.601 1.00 1.00 H new ATOM 0 HA ILE A 32 2.757 6.734 -1.023 1.00 1.00 H new ATOM 0 HB ILE A 32 0.166 6.373 0.503 1.00 1.00 H new ATOM 0 HG12 ILE A 32 1.507 4.374 -0.032 1.00 1.00 H new ATOM 0 HG13 ILE A 32 -0.028 4.375 -0.878 1.00 1.00 H new ATOM 0 HG21 ILE A 32 -1.038 6.553 -1.637 1.00 1.00 H new ATOM 0 HG22 ILE A 32 -0.261 8.089 -1.186 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.469 7.057 -2.439 1.00 1.00 H new ATOM 0 HD11 ILE A 32 1.782 3.637 -2.349 1.00 1.00 H new ATOM 0 HD12 ILE A 32 1.089 5.168 -2.932 1.00 1.00 H new ATOM 0 HD13 ILE A 32 2.647 5.167 -2.074 1.00 1.00 H new ATOM 596 N ARG A 33 1.519 9.152 0.862 1.00 1.00 N ATOM 597 CA ARG A 33 1.278 10.593 0.900 1.00 1.00 C ATOM 598 C ARG A 33 2.562 11.369 0.595 1.00 1.00 C ATOM 599 O ARG A 33 2.521 12.444 -0.002 1.00 1.00 O ATOM 600 CB ARG A 33 0.714 11.024 2.261 1.00 1.00 C ATOM 601 CG ARG A 33 1.750 11.049 3.370 1.00 1.00 C ATOM 602 CD ARG A 33 1.177 11.549 4.682 1.00 1.00 C ATOM 603 NE ARG A 33 2.219 11.686 5.701 1.00 1.00 N ATOM 604 CZ ARG A 33 2.023 12.237 6.899 1.00 1.00 C ATOM 605 NH1 ARG A 33 0.819 12.666 7.249 1.00 1.00 N ATOM 606 NH2 ARG A 33 3.032 12.348 7.753 1.00 1.00 N ATOM 0 H ARG A 33 1.359 8.669 1.746 1.00 1.00 H new ATOM 0 HA ARG A 33 0.539 10.823 0.132 1.00 1.00 H new ATOM 0 HB2 ARG A 33 0.274 12.017 2.164 1.00 1.00 H new ATOM 0 HB3 ARG A 33 -0.091 10.345 2.543 1.00 1.00 H new ATOM 0 HG2 ARG A 33 2.153 10.046 3.511 1.00 1.00 H new ATOM 0 HG3 ARG A 33 2.582 11.687 3.073 1.00 1.00 H new ATOM 0 HD2 ARG A 33 0.690 12.512 4.525 1.00 1.00 H new ATOM 0 HD3 ARG A 33 0.411 10.858 5.033 1.00 1.00 H new ATOM 0 HE ARG A 33 3.152 11.339 5.481 1.00 1.00 H new ATOM 0 HH11 ARG A 33 0.037 12.575 6.601 1.00 1.00 H new ATOM 0 HH12 ARG A 33 0.674 13.087 8.167 1.00 1.00 H new ATOM 0 HH21 ARG A 33 3.959 12.012 7.493 1.00 1.00 H new ATOM 0 HH22 ARG A 33 2.881 12.770 8.669 1.00 1.00 H new ATOM 620 N GLU A 34 3.700 10.816 0.999 1.00 1.00 N ATOM 621 CA GLU A 34 4.983 11.468 0.783 1.00 1.00 C ATOM 622 C GLU A 34 5.497 11.216 -0.633 1.00 1.00 C ATOM 623 O GLU A 34 6.128 12.084 -1.236 1.00 1.00 O ATOM 624 CB GLU A 34 6.005 10.990 1.818 1.00 1.00 C ATOM 625 CG GLU A 34 5.636 11.363 3.246 1.00 1.00 C ATOM 626 CD GLU A 34 6.699 10.972 4.252 1.00 1.00 C ATOM 627 OE1 GLU A 34 7.809 11.538 4.194 1.00 1.00 O ATOM 628 OE2 GLU A 34 6.422 10.126 5.125 1.00 1.00 O ATOM 0 H GLU A 34 3.759 9.917 1.478 1.00 1.00 H new ATOM 0 HA GLU A 34 4.841 12.542 0.902 1.00 1.00 H new ATOM 0 HB2 GLU A 34 6.104 9.907 1.747 1.00 1.00 H new ATOM 0 HB3 GLU A 34 6.980 11.416 1.579 1.00 1.00 H new ATOM 0 HG2 GLU A 34 5.467 12.438 3.303 1.00 1.00 H new ATOM 0 HG3 GLU A 34 4.696 10.878 3.511 1.00 1.00 H new ATOM 635 N ARG A 35 5.211 10.033 -1.163 1.00 1.00 N ATOM 636 CA ARG A 35 5.678 9.658 -2.495 1.00 1.00 C ATOM 637 C ARG A 35 4.803 10.275 -3.584 1.00 1.00 C ATOM 638 O ARG A 35 5.306 10.894 -4.522 1.00 1.00 O ATOM 639 CB ARG A 35 5.691 8.135 -2.647 1.00 1.00 C ATOM 640 CG ARG A 35 6.603 7.428 -1.660 1.00 1.00 C ATOM 641 CD ARG A 35 8.050 7.841 -1.848 1.00 1.00 C ATOM 642 NE ARG A 35 8.933 7.210 -0.871 1.00 1.00 N ATOM 643 CZ ARG A 35 10.220 7.518 -0.738 1.00 1.00 C ATOM 644 NH1 ARG A 35 10.771 8.416 -1.546 1.00 1.00 N ATOM 645 NH2 ARG A 35 10.957 6.926 0.192 1.00 1.00 N ATOM 0 H ARG A 35 4.658 9.316 -0.692 1.00 1.00 H new ATOM 0 HA ARG A 35 6.692 10.041 -2.609 1.00 1.00 H new ATOM 0 HB2 ARG A 35 4.676 7.758 -2.523 1.00 1.00 H new ATOM 0 HB3 ARG A 35 6.003 7.883 -3.660 1.00 1.00 H new ATOM 0 HG2 ARG A 35 6.287 7.657 -0.642 1.00 1.00 H new ATOM 0 HG3 ARG A 35 6.512 6.349 -1.787 1.00 1.00 H new ATOM 0 HD2 ARG A 35 8.375 7.575 -2.854 1.00 1.00 H new ATOM 0 HD3 ARG A 35 8.131 8.925 -1.763 1.00 1.00 H new ATOM 0 HE ARG A 35 8.542 6.495 -0.258 1.00 1.00 H new ATOM 0 HH11 ARG A 35 10.208 8.868 -2.266 1.00 1.00 H new ATOM 0 HH12 ARG A 35 11.758 8.654 -1.446 1.00 1.00 H new ATOM 0 HH21 ARG A 35 10.537 6.231 0.809 1.00 1.00 H new ATOM 0 HH22 ARG A 35 11.944 7.166 0.290 1.00 1.00 H new ATOM 659 N ILE A 36 3.495 10.097 -3.451 1.00 1.00 N ATOM 660 CA ILE A 36 2.544 10.590 -4.436 1.00 1.00 C ATOM 661 C ILE A 36 1.695 11.702 -3.824 1.00 1.00 C ATOM 662 O ILE A 36 1.058 11.508 -2.787 1.00 1.00 O ATOM 663 CB ILE A 36 1.620 9.457 -4.965 1.00 1.00 C ATOM 664 CG1 ILE A 36 2.428 8.356 -5.665 1.00 1.00 C ATOM 665 CG2 ILE A 36 0.570 10.009 -5.916 1.00 1.00 C ATOM 666 CD1 ILE A 36 2.968 7.295 -4.729 1.00 1.00 C ATOM 0 H ILE A 36 3.067 9.611 -2.663 1.00 1.00 H new ATOM 0 HA ILE A 36 3.113 10.979 -5.281 1.00 1.00 H new ATOM 0 HB ILE A 36 1.119 9.021 -4.101 1.00 1.00 H new ATOM 0 HG12 ILE A 36 1.797 7.877 -6.414 1.00 1.00 H new ATOM 0 HG13 ILE A 36 3.262 8.814 -6.197 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -0.063 9.196 -6.271 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -0.043 10.744 -5.394 1.00 1.00 H new ATOM 0 HG23 ILE A 36 1.062 10.483 -6.765 1.00 1.00 H new ATOM 0 HD11 ILE A 36 3.526 6.555 -5.302 1.00 1.00 H new ATOM 0 HD12 ILE A 36 3.627 7.759 -3.995 1.00 1.00 H new ATOM 0 HD13 ILE A 36 2.140 6.807 -4.216 1.00 1.00 H new ATOM 678 N PRO A 37 1.648 12.878 -4.473 1.00 1.00 N ATOM 679 CA PRO A 37 0.970 14.064 -3.932 1.00 1.00 C ATOM 680 C PRO A 37 -0.537 13.945 -4.043 1.00 1.00 C ATOM 681 O PRO A 37 -1.284 14.727 -3.457 1.00 1.00 O ATOM 682 CB PRO A 37 1.459 15.167 -4.863 1.00 1.00 C ATOM 683 CG PRO A 37 1.546 14.460 -6.160 1.00 1.00 C ATOM 684 CD PRO A 37 2.209 13.155 -5.810 1.00 1.00 C ATOM 0 HA PRO A 37 1.183 14.227 -2.875 1.00 1.00 H new ATOM 0 HB2 PRO A 37 0.764 16.006 -4.902 1.00 1.00 H new ATOM 0 HB3 PRO A 37 2.424 15.566 -4.551 1.00 1.00 H new ATOM 0 HG2 PRO A 37 0.560 14.304 -6.598 1.00 1.00 H new ATOM 0 HG3 PRO A 37 2.131 15.025 -6.886 1.00 1.00 H new ATOM 0 HD2 PRO A 37 1.967 12.369 -6.525 1.00 1.00 H new ATOM 0 HD3 PRO A 37 3.295 13.242 -5.787 1.00 1.00 H new ATOM 692 N GLU A 38 -0.978 12.969 -4.821 1.00 1.00 N ATOM 693 CA GLU A 38 -2.390 12.765 -5.046 1.00 1.00 C ATOM 694 C GLU A 38 -3.079 12.325 -3.758 1.00 1.00 C ATOM 695 O GLU A 38 -4.261 12.586 -3.552 1.00 1.00 O ATOM 696 CB GLU A 38 -2.625 11.742 -6.156 1.00 1.00 C ATOM 697 CG GLU A 38 -2.253 12.262 -7.533 1.00 1.00 C ATOM 698 CD GLU A 38 -3.001 13.531 -7.886 1.00 1.00 C ATOM 699 OE1 GLU A 38 -4.126 13.436 -8.425 1.00 1.00 O ATOM 700 OE2 GLU A 38 -2.473 14.633 -7.621 1.00 1.00 O ATOM 0 H GLU A 38 -0.372 12.307 -5.306 1.00 1.00 H new ATOM 0 HA GLU A 38 -2.822 13.714 -5.364 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -2.044 10.845 -5.944 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -3.675 11.449 -6.156 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -1.180 12.452 -7.570 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -2.467 11.496 -8.279 1.00 1.00 H new ATOM 707 N ALA A 39 -2.322 11.664 -2.888 1.00 1.00 N ATOM 708 CA ALA A 39 -2.826 11.267 -1.582 1.00 1.00 C ATOM 709 C ALA A 39 -3.001 12.480 -0.672 1.00 1.00 C ATOM 710 O ALA A 39 -3.742 12.436 0.307 1.00 1.00 O ATOM 711 CB ALA A 39 -1.881 10.266 -0.945 1.00 1.00 C ATOM 0 H ALA A 39 -1.355 11.392 -3.066 1.00 1.00 H new ATOM 0 HA ALA A 39 -3.802 10.801 -1.717 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -2.265 9.974 0.032 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -1.801 9.385 -1.582 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -0.897 10.719 -0.827 1.00 1.00 H new ATOM 717 N LEU A 40 -2.325 13.570 -1.017 1.00 1.00 N ATOM 718 CA LEU A 40 -2.376 14.794 -0.225 1.00 1.00 C ATOM 719 C LEU A 40 -3.525 15.688 -0.677 1.00 1.00 C ATOM 720 O LEU A 40 -3.657 16.826 -0.224 1.00 1.00 O ATOM 721 CB LEU A 40 -1.049 15.549 -0.332 1.00 1.00 C ATOM 722 CG LEU A 40 0.162 14.819 0.251 1.00 1.00 C ATOM 723 CD1 LEU A 40 1.439 15.589 -0.037 1.00 1.00 C ATOM 724 CD2 LEU A 40 -0.009 14.621 1.749 1.00 1.00 C ATOM 0 H LEU A 40 -1.732 13.631 -1.845 1.00 1.00 H new ATOM 0 HA LEU A 40 -2.546 14.518 0.816 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -0.854 15.762 -1.383 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.153 16.509 0.174 1.00 1.00 H new ATOM 0 HG LEU A 40 0.235 13.840 -0.224 1.00 1.00 H new ATOM 0 HD11 LEU A 40 2.290 15.054 0.386 1.00 1.00 H new ATOM 0 HD12 LEU A 40 1.570 15.686 -1.115 1.00 1.00 H new ATOM 0 HD13 LEU A 40 1.375 16.581 0.411 1.00 1.00 H new ATOM 0 HD21 LEU A 40 0.861 14.100 2.149 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -0.106 15.592 2.236 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -0.905 14.029 1.938 1.00 1.00 H new ATOM 736 N ALA A 41 -4.358 15.168 -1.573 1.00 1.00 N ATOM 737 CA ALA A 41 -5.528 15.898 -2.041 1.00 1.00 C ATOM 738 C ALA A 41 -6.555 16.020 -0.925 1.00 1.00 C ATOM 739 O ALA A 41 -7.414 16.905 -0.940 1.00 1.00 O ATOM 740 CB ALA A 41 -6.137 15.205 -3.247 1.00 1.00 C ATOM 0 H ALA A 41 -4.243 14.244 -1.989 1.00 1.00 H new ATOM 0 HA ALA A 41 -5.217 16.899 -2.338 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -7.010 15.763 -3.585 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -5.402 15.160 -4.051 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -6.436 14.193 -2.973 1.00 1.00 H new ATOM 746 N GLY A 42 -6.454 15.123 0.039 1.00 1.00 N ATOM 747 CA GLY A 42 -7.329 15.143 1.184 1.00 1.00 C ATOM 748 C GLY A 42 -6.623 14.614 2.409 1.00 1.00 C ATOM 749 O GLY A 42 -5.402 14.449 2.390 1.00 1.00 O ATOM 0 H GLY A 42 -5.768 14.369 0.046 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.671 16.161 1.368 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -8.215 14.541 0.981 1.00 1.00 H new ATOM 753 N PRO A 43 -7.355 14.339 3.492 1.00 1.00 N ATOM 754 CA PRO A 43 -6.776 13.791 4.712 1.00 1.00 C ATOM 755 C PRO A 43 -6.368 12.349 4.537 1.00 1.00 C ATOM 756 O PRO A 43 -7.087 11.553 3.934 1.00 1.00 O ATOM 757 CB PRO A 43 -7.890 13.930 5.758 1.00 1.00 C ATOM 758 CG PRO A 43 -8.962 14.738 5.101 1.00 1.00 C ATOM 759 CD PRO A 43 -8.800 14.536 3.623 1.00 1.00 C ATOM 0 HA PRO A 43 -5.865 14.314 5.002 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -8.266 12.953 6.062 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -7.523 14.424 6.658 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -9.949 14.415 5.431 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -8.868 15.792 5.361 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -9.362 13.673 3.266 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -9.146 15.399 3.054 1.00 1.00 H new ATOM 767 N PRO A 44 -5.197 12.006 5.075 1.00 1.00 N ATOM 768 CA PRO A 44 -4.563 10.728 4.812 1.00 1.00 C ATOM 769 C PRO A 44 -5.426 9.532 5.206 1.00 1.00 C ATOM 770 O PRO A 44 -5.454 8.523 4.503 1.00 1.00 O ATOM 771 CB PRO A 44 -3.281 10.768 5.650 1.00 1.00 C ATOM 772 CG PRO A 44 -3.032 12.214 5.896 1.00 1.00 C ATOM 773 CD PRO A 44 -4.388 12.849 5.972 1.00 1.00 C ATOM 0 HA PRO A 44 -4.384 10.594 3.745 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -3.403 10.223 6.586 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -2.447 10.308 5.120 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -2.476 12.364 6.822 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -2.439 12.652 5.093 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -4.779 12.847 6.990 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -4.367 13.887 5.641 1.00 1.00 H new ATOM 781 N ASN A 45 -6.151 9.654 6.313 1.00 1.00 N ATOM 782 CA ASN A 45 -6.950 8.546 6.822 1.00 1.00 C ATOM 783 C ASN A 45 -8.337 8.521 6.187 1.00 1.00 C ATOM 784 O ASN A 45 -9.151 7.647 6.488 1.00 1.00 O ATOM 785 CB ASN A 45 -7.056 8.604 8.349 1.00 1.00 C ATOM 786 CG ASN A 45 -5.744 8.261 9.034 1.00 1.00 C ATOM 787 OD1 ASN A 45 -4.907 9.132 9.280 1.00 1.00 O ATOM 788 ND2 ASN A 45 -5.552 6.988 9.351 1.00 1.00 N ATOM 0 H ASN A 45 -6.202 10.505 6.873 1.00 1.00 H new ATOM 0 HA ASN A 45 -6.441 7.622 6.548 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -7.370 9.603 8.651 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -7.829 7.912 8.683 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -4.689 6.702 9.814 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -6.267 6.294 9.132 1.00 1.00 H new ATOM 795 N ASP A 46 -8.607 9.486 5.313 1.00 1.00 N ATOM 796 CA ASP A 46 -9.809 9.449 4.486 1.00 1.00 C ATOM 797 C ASP A 46 -9.564 8.525 3.308 1.00 1.00 C ATOM 798 O ASP A 46 -10.490 7.962 2.723 1.00 1.00 O ATOM 799 CB ASP A 46 -10.195 10.846 3.995 1.00 1.00 C ATOM 800 CG ASP A 46 -11.093 11.579 4.970 1.00 1.00 C ATOM 801 OD1 ASP A 46 -10.608 11.996 6.039 1.00 1.00 O ATOM 802 OD2 ASP A 46 -12.295 11.737 4.672 1.00 1.00 O ATOM 0 H ASP A 46 -8.012 10.300 5.159 1.00 1.00 H new ATOM 0 HA ASP A 46 -10.639 9.076 5.087 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -9.291 11.431 3.829 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -10.701 10.762 3.033 1.00 1.00 H new ATOM 807 N PHE A 47 -8.294 8.382 2.968 1.00 1.00 N ATOM 808 CA PHE A 47 -7.863 7.400 1.995 1.00 1.00 C ATOM 809 C PHE A 47 -7.499 6.118 2.730 1.00 1.00 C ATOM 810 O PHE A 47 -7.708 6.011 3.940 1.00 1.00 O ATOM 811 CB PHE A 47 -6.647 7.907 1.215 1.00 1.00 C ATOM 812 CG PHE A 47 -6.879 9.178 0.443 1.00 1.00 C ATOM 813 CD1 PHE A 47 -6.789 10.411 1.066 1.00 1.00 C ATOM 814 CD2 PHE A 47 -7.175 9.138 -0.909 1.00 1.00 C ATOM 815 CE1 PHE A 47 -6.992 11.580 0.357 1.00 1.00 C ATOM 816 CE2 PHE A 47 -7.379 10.301 -1.624 1.00 1.00 C ATOM 817 CZ PHE A 47 -7.288 11.524 -0.990 1.00 1.00 C ATOM 0 H PHE A 47 -7.537 8.943 3.359 1.00 1.00 H new ATOM 0 HA PHE A 47 -8.671 7.217 1.286 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -5.826 8.067 1.913 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -6.328 7.130 0.521 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -6.557 10.460 2.120 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -7.247 8.184 -1.411 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -6.919 12.535 0.856 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -7.610 10.254 -2.678 1.00 1.00 H new ATOM 0 HZ PHE A 47 -7.448 12.435 -1.547 1.00 1.00 H new ATOM 827 N GLY A 48 -6.966 5.146 2.018 1.00 1.00 N ATOM 828 CA GLY A 48 -6.518 3.937 2.665 1.00 1.00 C ATOM 829 C GLY A 48 -5.975 2.929 1.687 1.00 1.00 C ATOM 830 O GLY A 48 -5.993 3.156 0.475 1.00 1.00 O ATOM 0 H GLY A 48 -6.835 5.171 1.007 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -5.746 4.183 3.395 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -7.348 3.494 3.216 1.00 1.00 H new ATOM 834 N LEU A 49 -5.494 1.815 2.212 1.00 1.00 N ATOM 835 CA LEU A 49 -5.016 0.727 1.383 1.00 1.00 C ATOM 836 C LEU A 49 -6.137 -0.260 1.129 1.00 1.00 C ATOM 837 O LEU A 49 -6.701 -0.838 2.063 1.00 1.00 O ATOM 838 CB LEU A 49 -3.834 0.007 2.030 1.00 1.00 C ATOM 839 CG LEU A 49 -2.513 0.773 2.025 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.401 -0.111 2.559 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.178 1.258 0.621 1.00 1.00 C ATOM 0 H LEU A 49 -5.425 1.642 3.215 1.00 1.00 H new ATOM 0 HA LEU A 49 -4.678 1.152 0.438 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -4.094 -0.226 3.062 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.685 -0.943 1.517 1.00 1.00 H new ATOM 0 HG LEU A 49 -2.613 1.645 2.671 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.462 0.442 2.552 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.636 -0.415 3.579 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -1.306 -0.996 1.930 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.233 1.801 0.639 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -2.091 0.402 -0.049 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -2.969 1.918 0.266 1.00 1.00 H new ATOM 853 N PHE A 50 -6.464 -0.431 -0.133 1.00 1.00 N ATOM 854 CA PHE A 50 -7.501 -1.353 -0.536 1.00 1.00 C ATOM 855 C PHE A 50 -6.876 -2.632 -1.068 1.00 1.00 C ATOM 856 O PHE A 50 -6.134 -2.610 -2.057 1.00 1.00 O ATOM 857 CB PHE A 50 -8.395 -0.706 -1.597 1.00 1.00 C ATOM 858 CG PHE A 50 -9.450 -1.621 -2.138 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.582 -1.904 -1.394 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.308 -2.199 -3.389 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.553 -2.749 -1.887 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.275 -3.044 -3.887 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.399 -3.322 -3.137 1.00 1.00 C ATOM 0 H PHE A 50 -6.020 0.064 -0.906 1.00 1.00 H new ATOM 0 HA PHE A 50 -8.117 -1.601 0.328 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -8.875 0.173 -1.167 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -7.772 -0.358 -2.421 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.706 -1.459 -0.418 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.430 -1.985 -3.980 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.433 -2.964 -1.298 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -10.153 -3.489 -4.864 1.00 1.00 H new ATOM 0 HZ PHE A 50 -12.157 -3.986 -3.525 1.00 1.00 H new ATOM 873 N LEU A 51 -7.166 -3.734 -0.399 1.00 1.00 N ATOM 874 CA LEU A 51 -6.650 -5.031 -0.792 1.00 1.00 C ATOM 875 C LEU A 51 -7.367 -5.497 -2.048 1.00 1.00 C ATOM 876 O LEU A 51 -8.562 -5.798 -2.012 1.00 1.00 O ATOM 877 CB LEU A 51 -6.856 -6.044 0.336 1.00 1.00 C ATOM 878 CG LEU A 51 -6.095 -7.355 0.176 1.00 1.00 C ATOM 879 CD1 LEU A 51 -4.600 -7.110 0.270 1.00 1.00 C ATOM 880 CD2 LEU A 51 -6.540 -8.359 1.225 1.00 1.00 C ATOM 0 H LEU A 51 -7.763 -3.754 0.428 1.00 1.00 H new ATOM 0 HA LEU A 51 -5.582 -4.948 -0.994 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -6.558 -5.582 1.277 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -7.920 -6.267 0.413 1.00 1.00 H new ATOM 0 HG LEU A 51 -6.316 -7.769 -0.808 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -4.069 -8.055 0.154 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -4.294 -6.422 -0.518 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -4.363 -6.677 1.242 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -5.987 -9.289 1.096 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -6.346 -7.956 2.219 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -7.607 -8.553 1.114 1.00 1.00 H new ATOM 892 N SER A 52 -6.646 -5.530 -3.154 1.00 1.00 N ATOM 893 CA SER A 52 -7.232 -5.898 -4.430 1.00 1.00 C ATOM 894 C SER A 52 -7.607 -7.376 -4.453 1.00 1.00 C ATOM 895 O SER A 52 -6.833 -8.236 -4.025 1.00 1.00 O ATOM 896 CB SER A 52 -6.258 -5.570 -5.557 1.00 1.00 C ATOM 897 OG SER A 52 -5.927 -4.189 -5.542 1.00 1.00 O ATOM 0 H SER A 52 -5.652 -5.306 -3.194 1.00 1.00 H new ATOM 0 HA SER A 52 -8.147 -5.323 -4.574 1.00 1.00 H new ATOM 0 HB2 SER A 52 -5.353 -6.168 -5.449 1.00 1.00 H new ATOM 0 HB3 SER A 52 -6.702 -5.833 -6.517 1.00 1.00 H new ATOM 0 HG SER A 52 -5.300 -3.995 -6.270 1.00 1.00 H new ATOM 903 N ASP A 53 -8.801 -7.652 -4.952 1.00 1.00 N ATOM 904 CA ASP A 53 -9.334 -9.006 -4.997 1.00 1.00 C ATOM 905 C ASP A 53 -9.716 -9.344 -6.436 1.00 1.00 C ATOM 906 O ASP A 53 -9.713 -8.458 -7.297 1.00 1.00 O ATOM 907 CB ASP A 53 -10.557 -9.110 -4.065 1.00 1.00 C ATOM 908 CG ASP A 53 -11.151 -10.503 -3.993 1.00 1.00 C ATOM 909 OD1 ASP A 53 -10.690 -11.313 -3.160 1.00 1.00 O ATOM 910 OD2 ASP A 53 -12.087 -10.791 -4.768 1.00 1.00 O ATOM 0 H ASP A 53 -9.428 -6.946 -5.337 1.00 1.00 H new ATOM 0 HA ASP A 53 -8.582 -9.718 -4.656 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -10.267 -8.796 -3.062 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -11.324 -8.415 -4.407 1.00 1.00 H new ATOM 915 N ASP A 54 -10.019 -10.611 -6.703 1.00 1.00 N ATOM 916 CA ASP A 54 -10.501 -11.030 -8.019 1.00 1.00 C ATOM 917 C ASP A 54 -11.719 -10.205 -8.427 1.00 1.00 C ATOM 918 O ASP A 54 -11.898 -9.876 -9.600 1.00 1.00 O ATOM 919 CB ASP A 54 -10.844 -12.524 -8.008 1.00 1.00 C ATOM 920 CG ASP A 54 -11.583 -12.973 -9.256 1.00 1.00 C ATOM 921 OD1 ASP A 54 -11.011 -12.889 -10.365 1.00 1.00 O ATOM 922 OD2 ASP A 54 -12.743 -13.416 -9.130 1.00 1.00 O ATOM 0 H ASP A 54 -9.940 -11.369 -6.025 1.00 1.00 H new ATOM 0 HA ASP A 54 -9.710 -10.861 -8.750 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -9.925 -13.101 -7.910 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -11.454 -12.744 -7.132 1.00 1.00 H new ATOM 927 N ASP A 55 -12.536 -9.850 -7.446 1.00 1.00 N ATOM 928 CA ASP A 55 -13.671 -8.972 -7.683 1.00 1.00 C ATOM 929 C ASP A 55 -13.584 -7.754 -6.773 1.00 1.00 C ATOM 930 O ASP A 55 -13.386 -7.893 -5.564 1.00 1.00 O ATOM 931 CB ASP A 55 -14.993 -9.706 -7.451 1.00 1.00 C ATOM 932 CG ASP A 55 -16.192 -8.853 -7.816 1.00 1.00 C ATOM 933 OD1 ASP A 55 -16.643 -8.053 -6.970 1.00 1.00 O ATOM 934 OD2 ASP A 55 -16.688 -8.970 -8.957 1.00 1.00 O ATOM 0 H ASP A 55 -12.434 -10.157 -6.479 1.00 1.00 H new ATOM 0 HA ASP A 55 -13.641 -8.648 -8.723 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -15.007 -10.622 -8.042 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -15.064 -10.001 -6.404 1.00 1.00 H new ATOM 939 N PRO A 56 -13.729 -6.547 -7.344 1.00 1.00 N ATOM 940 CA PRO A 56 -13.606 -5.279 -6.611 1.00 1.00 C ATOM 941 C PRO A 56 -14.494 -5.202 -5.368 1.00 1.00 C ATOM 942 O PRO A 56 -14.116 -4.595 -4.364 1.00 1.00 O ATOM 943 CB PRO A 56 -14.040 -4.219 -7.635 1.00 1.00 C ATOM 944 CG PRO A 56 -14.674 -4.974 -8.753 1.00 1.00 C ATOM 945 CD PRO A 56 -14.013 -6.317 -8.766 1.00 1.00 C ATOM 0 HA PRO A 56 -12.592 -5.148 -6.233 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -14.742 -3.512 -7.193 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -13.185 -3.642 -7.987 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -15.749 -5.069 -8.600 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -14.531 -4.459 -9.703 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -14.666 -7.086 -9.179 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -13.103 -6.315 -9.366 1.00 1.00 H new ATOM 953 N LYS A 57 -15.662 -5.830 -5.419 1.00 1.00 N ATOM 954 CA LYS A 57 -16.608 -5.757 -4.313 1.00 1.00 C ATOM 955 C LYS A 57 -16.204 -6.695 -3.184 1.00 1.00 C ATOM 956 O LYS A 57 -16.660 -6.550 -2.049 1.00 1.00 O ATOM 957 CB LYS A 57 -18.023 -6.088 -4.791 1.00 1.00 C ATOM 958 CG LYS A 57 -18.552 -5.121 -5.841 1.00 1.00 C ATOM 959 CD LYS A 57 -18.607 -3.693 -5.320 1.00 1.00 C ATOM 960 CE LYS A 57 -19.606 -3.547 -4.184 1.00 1.00 C ATOM 961 NZ LYS A 57 -19.583 -2.179 -3.608 1.00 1.00 N ATOM 0 H LYS A 57 -15.976 -6.393 -6.210 1.00 1.00 H new ATOM 0 HA LYS A 57 -16.596 -4.736 -3.931 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -18.032 -7.098 -5.201 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -18.697 -6.086 -3.934 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -17.915 -5.161 -6.725 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -19.549 -5.433 -6.152 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -17.617 -3.393 -4.975 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -18.879 -3.019 -6.133 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -20.608 -3.772 -4.549 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -19.380 -4.274 -3.404 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -20.277 -2.116 -2.836 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -18.633 -1.974 -3.238 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -19.823 -1.487 -4.347 1.00 1.00 H new ATOM 975 N LYS A 58 -15.336 -7.646 -3.493 1.00 1.00 N ATOM 976 CA LYS A 58 -14.889 -8.617 -2.508 1.00 1.00 C ATOM 977 C LYS A 58 -13.549 -8.194 -1.919 1.00 1.00 C ATOM 978 O LYS A 58 -12.992 -8.872 -1.056 1.00 1.00 O ATOM 979 CB LYS A 58 -14.799 -10.012 -3.138 1.00 1.00 C ATOM 980 CG LYS A 58 -16.112 -10.454 -3.772 1.00 1.00 C ATOM 981 CD LYS A 58 -16.168 -11.952 -4.055 1.00 1.00 C ATOM 982 CE LYS A 58 -15.234 -12.384 -5.177 1.00 1.00 C ATOM 983 NZ LYS A 58 -13.857 -12.673 -4.696 1.00 1.00 N ATOM 0 H LYS A 58 -14.927 -7.766 -4.420 1.00 1.00 H new ATOM 0 HA LYS A 58 -15.617 -8.658 -1.698 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -14.015 -10.015 -3.895 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -14.507 -10.733 -2.375 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -16.936 -10.185 -3.111 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -16.260 -9.909 -4.704 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -15.911 -12.497 -3.147 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -17.190 -12.229 -4.314 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -15.640 -13.273 -5.661 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -15.194 -11.600 -5.933 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -13.551 -13.600 -5.055 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -13.208 -11.937 -5.040 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -13.848 -12.684 -3.656 1.00 1.00 H new ATOM 997 N GLY A 59 -13.043 -7.059 -2.390 1.00 1.00 N ATOM 998 CA GLY A 59 -11.830 -6.498 -1.836 1.00 1.00 C ATOM 999 C GLY A 59 -12.092 -5.815 -0.511 1.00 1.00 C ATOM 1000 O GLY A 59 -13.202 -5.330 -0.269 1.00 1.00 O ATOM 0 H GLY A 59 -13.456 -6.517 -3.149 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -11.091 -7.288 -1.700 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -11.405 -5.781 -2.539 1.00 1.00 H new ATOM 1004 N ILE A 60 -11.081 -5.761 0.339 1.00 1.00 N ATOM 1005 CA ILE A 60 -11.247 -5.243 1.691 1.00 1.00 C ATOM 1006 C ILE A 60 -10.226 -4.153 1.998 1.00 1.00 C ATOM 1007 O ILE A 60 -9.235 -3.999 1.288 1.00 1.00 O ATOM 1008 CB ILE A 60 -11.110 -6.369 2.734 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -9.789 -7.119 2.525 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -12.297 -7.320 2.644 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -9.554 -8.242 3.511 1.00 1.00 C ATOM 0 H ILE A 60 -10.134 -6.069 0.119 1.00 1.00 H new ATOM 0 HA ILE A 60 -12.249 -4.817 1.748 1.00 1.00 H new ATOM 0 HB ILE A 60 -11.103 -5.931 3.732 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -9.771 -7.527 1.515 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -8.965 -6.409 2.596 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -12.187 -8.110 3.386 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -13.219 -6.770 2.833 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -12.335 -7.761 1.648 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -8.599 -8.722 3.295 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -9.537 -7.839 4.524 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -10.356 -8.975 3.425 1.00 1.00 H new ATOM 1023 N TRP A 61 -10.479 -3.401 3.055 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.576 -2.343 3.483 1.00 1.00 C ATOM 1025 C TRP A 61 -8.682 -2.829 4.621 1.00 1.00 C ATOM 1026 O TRP A 61 -9.165 -3.388 5.606 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.381 -1.123 3.921 1.00 1.00 C ATOM 1028 CG TRP A 61 -11.118 -0.480 2.792 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.393 -0.747 2.401 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -10.624 0.521 1.903 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -12.732 0.041 1.327 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -11.659 0.826 1.000 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.407 1.191 1.783 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -11.513 1.776 -0.007 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -9.264 2.133 0.782 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -10.307 2.416 -0.098 1.00 1.00 C ATOM 0 H TRP A 61 -11.310 -3.504 3.638 1.00 1.00 H new ATOM 0 HA TRP A 61 -8.938 -2.064 2.645 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -11.093 -1.420 4.691 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -9.709 -0.393 4.373 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -13.044 -1.472 2.866 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.635 0.041 0.852 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -8.592 0.978 2.459 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -12.320 1.999 -0.689 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -8.327 2.660 0.680 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -10.160 3.157 -0.869 1.00 1.00 H new ATOM 1047 N LEU A 62 -7.377 -2.628 4.467 1.00 1.00 N ATOM 1048 CA LEU A 62 -6.400 -3.073 5.459 1.00 1.00 C ATOM 1049 C LEU A 62 -6.482 -2.243 6.739 1.00 1.00 C ATOM 1050 O LEU A 62 -6.780 -1.047 6.700 1.00 1.00 O ATOM 1051 CB LEU A 62 -4.975 -2.997 4.894 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.623 -4.024 3.810 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -5.296 -3.689 2.490 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -3.115 -4.105 3.629 1.00 1.00 C ATOM 0 H LEU A 62 -6.968 -2.157 3.660 1.00 1.00 H new ATOM 0 HA LEU A 62 -6.638 -4.109 5.700 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.821 -1.999 4.484 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.272 -3.114 5.719 1.00 1.00 H new ATOM 0 HG LEU A 62 -4.993 -4.996 4.137 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -5.026 -4.436 1.744 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -6.378 -3.685 2.624 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.968 -2.705 2.154 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.880 -4.838 2.857 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.731 -3.129 3.332 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.651 -4.407 4.568 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.211 -2.889 7.867 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.217 -2.225 9.164 1.00 1.00 C ATOM 1068 C GLU A 63 -4.875 -1.557 9.435 1.00 1.00 C ATOM 1069 O GLU A 63 -3.828 -2.194 9.336 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.515 -3.230 10.277 1.00 1.00 C ATOM 1071 CG GLU A 63 -7.921 -3.799 10.227 1.00 1.00 C ATOM 1072 CD GLU A 63 -8.148 -4.882 11.260 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -7.816 -4.668 12.444 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -8.662 -5.961 10.892 1.00 1.00 O ATOM 0 H GLU A 63 -5.982 -3.882 7.908 1.00 1.00 H new ATOM 0 HA GLU A 63 -6.996 -1.463 9.146 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -5.799 -4.049 10.215 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.363 -2.746 11.242 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.640 -2.995 10.385 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -8.110 -4.205 9.233 1.00 1.00 H new ATOM 1081 N ALA A 64 -4.919 -0.280 9.799 1.00 1.00 N ATOM 1082 CA ALA A 64 -3.715 0.491 10.105 1.00 1.00 C ATOM 1083 C ALA A 64 -2.892 -0.174 11.203 1.00 1.00 C ATOM 1084 O ALA A 64 -1.665 -0.072 11.217 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.101 1.901 10.521 1.00 1.00 C ATOM 0 H ALA A 64 -5.786 0.250 9.891 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.099 0.532 9.207 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.201 2.473 10.748 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -4.642 2.385 9.708 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -4.737 1.858 11.405 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.572 -0.879 12.102 1.00 1.00 N ATOM 1092 CA GLY A 65 -2.900 -1.518 13.218 1.00 1.00 C ATOM 1093 C GLY A 65 -2.295 -2.864 12.859 1.00 1.00 C ATOM 1094 O GLY A 65 -1.907 -3.630 13.742 1.00 1.00 O ATOM 0 H GLY A 65 -4.582 -1.019 12.076 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -2.113 -0.859 13.586 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.611 -1.652 14.034 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.219 -3.159 11.567 1.00 1.00 N ATOM 1099 CA LYS A 66 -1.592 -4.389 11.098 1.00 1.00 C ATOM 1100 C LYS A 66 -0.491 -4.067 10.094 1.00 1.00 C ATOM 1101 O LYS A 66 -0.494 -2.999 9.477 1.00 1.00 O ATOM 1102 CB LYS A 66 -2.630 -5.322 10.466 1.00 1.00 C ATOM 1103 CG LYS A 66 -3.689 -5.815 11.441 1.00 1.00 C ATOM 1104 CD LYS A 66 -3.074 -6.613 12.581 1.00 1.00 C ATOM 1105 CE LYS A 66 -4.113 -6.979 13.625 1.00 1.00 C ATOM 1106 NZ LYS A 66 -3.499 -7.560 14.848 1.00 1.00 N ATOM 0 H LYS A 66 -2.584 -2.563 10.824 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.151 -4.899 11.955 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -3.121 -4.800 9.645 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.117 -6.182 10.036 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.236 -4.964 11.846 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -4.412 -6.435 10.911 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -2.617 -7.521 12.187 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -2.278 -6.032 13.046 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -4.684 -6.090 13.894 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -4.817 -7.694 13.199 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -4.245 -7.795 15.533 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -2.975 -8.423 14.597 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -2.846 -6.869 15.270 1.00 1.00 H new ATOM 1120 N ALA A 67 0.461 -4.977 9.953 1.00 1.00 N ATOM 1121 CA ALA A 67 1.559 -4.791 9.017 1.00 1.00 C ATOM 1122 C ALA A 67 1.214 -5.374 7.654 1.00 1.00 C ATOM 1123 O ALA A 67 0.246 -6.119 7.509 1.00 1.00 O ATOM 1124 CB ALA A 67 2.833 -5.423 9.556 1.00 1.00 C ATOM 0 H ALA A 67 0.495 -5.852 10.475 1.00 1.00 H new ATOM 0 HA ALA A 67 1.725 -3.720 8.899 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.643 -5.274 8.842 1.00 1.00 H new ATOM 0 HB2 ALA A 67 3.096 -4.958 10.506 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.674 -6.491 9.706 1.00 1.00 H new ATOM 1130 N LEU A 68 2.015 -5.040 6.658 1.00 1.00 N ATOM 1131 CA LEU A 68 1.786 -5.513 5.301 1.00 1.00 C ATOM 1132 C LEU A 68 2.115 -6.996 5.161 1.00 1.00 C ATOM 1133 O LEU A 68 1.475 -7.713 4.388 1.00 1.00 O ATOM 1134 CB LEU A 68 2.605 -4.683 4.319 1.00 1.00 C ATOM 1135 CG LEU A 68 2.280 -3.187 4.324 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.005 -2.486 3.197 1.00 1.00 C ATOM 1137 CD2 LEU A 68 0.778 -2.954 4.218 1.00 1.00 C ATOM 0 H LEU A 68 2.834 -4.441 6.762 1.00 1.00 H new ATOM 0 HA LEU A 68 0.727 -5.394 5.072 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.663 -4.812 4.548 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.446 -5.073 3.313 1.00 1.00 H new ATOM 0 HG LEU A 68 2.621 -2.769 5.271 1.00 1.00 H new ATOM 0 HD11 LEU A 68 2.763 -1.423 3.214 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.080 -2.616 3.320 1.00 1.00 H new ATOM 0 HD13 LEU A 68 2.695 -2.913 2.243 1.00 1.00 H new ATOM 0 HD21 LEU A 68 0.575 -1.883 4.224 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.407 -3.389 3.290 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.276 -3.423 5.064 1.00 1.00 H new ATOM 1149 N ASP A 69 3.100 -7.462 5.924 1.00 1.00 N ATOM 1150 CA ASP A 69 3.473 -8.877 5.904 1.00 1.00 C ATOM 1151 C ASP A 69 2.372 -9.714 6.553 1.00 1.00 C ATOM 1152 O ASP A 69 2.259 -10.918 6.320 1.00 1.00 O ATOM 1153 CB ASP A 69 4.808 -9.083 6.630 1.00 1.00 C ATOM 1154 CG ASP A 69 5.370 -10.482 6.460 1.00 1.00 C ATOM 1155 OD1 ASP A 69 5.975 -10.761 5.402 1.00 1.00 O ATOM 1156 OD2 ASP A 69 5.241 -11.299 7.395 1.00 1.00 O ATOM 0 H ASP A 69 3.652 -6.887 6.560 1.00 1.00 H new ATOM 0 HA ASP A 69 3.592 -9.200 4.870 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.533 -8.359 6.257 1.00 1.00 H new ATOM 0 HB3 ASP A 69 4.672 -8.879 7.692 1.00 1.00 H new ATOM 1161 N TYR A 70 1.541 -9.044 7.344 1.00 1.00 N ATOM 1162 CA TYR A 70 0.407 -9.672 8.012 1.00 1.00 C ATOM 1163 C TYR A 70 -0.650 -10.075 6.985 1.00 1.00 C ATOM 1164 O TYR A 70 -1.338 -11.080 7.138 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.195 -8.681 9.011 1.00 1.00 C ATOM 1166 CG TYR A 70 -1.172 -9.275 10.004 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -2.530 -9.353 9.722 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -0.733 -9.733 11.237 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -3.421 -9.873 10.644 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -1.615 -10.257 12.161 1.00 1.00 C ATOM 1171 CZ TYR A 70 -2.957 -10.324 11.861 1.00 1.00 C ATOM 1172 OH TYR A 70 -3.837 -10.836 12.789 1.00 1.00 O ATOM 0 H TYR A 70 1.635 -8.048 7.540 1.00 1.00 H new ATOM 0 HA TYR A 70 0.745 -10.566 8.536 1.00 1.00 H new ATOM 0 HB2 TYR A 70 0.617 -8.209 9.564 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -0.702 -7.893 8.455 1.00 1.00 H new ATOM 0 HD1 TYR A 70 -2.896 -9.002 8.768 1.00 1.00 H new ATOM 0 HD2 TYR A 70 0.318 -9.679 11.479 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -4.474 -9.925 10.411 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -1.254 -10.613 13.115 1.00 1.00 H new ATOM 0 HH TYR A 70 -3.344 -11.109 13.591 1.00 1.00 H new ATOM 1182 N TYR A 71 -0.754 -9.282 5.927 1.00 1.00 N ATOM 1183 CA TYR A 71 -1.764 -9.496 4.901 1.00 1.00 C ATOM 1184 C TYR A 71 -1.219 -10.313 3.734 1.00 1.00 C ATOM 1185 O TYR A 71 -1.882 -10.455 2.705 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.291 -8.150 4.404 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.254 -7.487 5.359 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -4.618 -7.737 5.278 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -2.804 -6.612 6.338 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -5.506 -7.134 6.147 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -3.686 -6.005 7.210 1.00 1.00 C ATOM 1192 CZ TYR A 71 -5.035 -6.269 7.111 1.00 1.00 C ATOM 1193 OH TYR A 71 -5.915 -5.665 7.977 1.00 1.00 O ATOM 0 H TYR A 71 -0.147 -8.480 5.757 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.580 -10.065 5.346 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.448 -7.482 4.229 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -2.787 -8.296 3.444 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -4.990 -8.414 4.523 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -1.748 -6.403 6.419 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -6.564 -7.339 6.072 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -3.320 -5.326 7.966 1.00 1.00 H new ATOM 0 HH TYR A 71 -6.687 -6.251 8.120 1.00 1.00 H new ATOM 1203 N MET A 72 -0.010 -10.848 3.910 1.00 1.00 N ATOM 1204 CA MET A 72 0.622 -11.712 2.906 1.00 1.00 C ATOM 1205 C MET A 72 0.870 -10.960 1.600 1.00 1.00 C ATOM 1206 O MET A 72 0.857 -11.547 0.518 1.00 1.00 O ATOM 1207 CB MET A 72 -0.236 -12.954 2.644 1.00 1.00 C ATOM 1208 CG MET A 72 -0.418 -13.843 3.864 1.00 1.00 C ATOM 1209 SD MET A 72 -1.483 -15.263 3.536 1.00 1.00 S ATOM 1210 CE MET A 72 -3.016 -14.440 3.103 1.00 1.00 C ATOM 0 H MET A 72 0.557 -10.698 4.745 1.00 1.00 H new ATOM 0 HA MET A 72 1.587 -12.027 3.304 1.00 1.00 H new ATOM 0 HB2 MET A 72 -1.216 -12.638 2.287 1.00 1.00 H new ATOM 0 HB3 MET A 72 0.221 -13.538 1.845 1.00 1.00 H new ATOM 0 HG2 MET A 72 0.557 -14.195 4.201 1.00 1.00 H new ATOM 0 HG3 MET A 72 -0.843 -13.255 4.677 1.00 1.00 H new ATOM 0 HE1 MET A 72 -3.853 -15.118 3.269 1.00 1.00 H new ATOM 0 HE2 MET A 72 -3.140 -13.552 3.723 1.00 1.00 H new ATOM 0 HE3 MET A 72 -2.989 -14.149 2.053 1.00 1.00 H new ATOM 1220 N LEU A 73 1.104 -9.662 1.707 1.00 1.00 N ATOM 1221 CA LEU A 73 1.409 -8.846 0.543 1.00 1.00 C ATOM 1222 C LEU A 73 2.796 -9.193 0.018 1.00 1.00 C ATOM 1223 O LEU A 73 3.777 -9.147 0.762 1.00 1.00 O ATOM 1224 CB LEU A 73 1.320 -7.365 0.907 1.00 1.00 C ATOM 1225 CG LEU A 73 -0.055 -6.919 1.405 1.00 1.00 C ATOM 1226 CD1 LEU A 73 -0.043 -5.445 1.758 1.00 1.00 C ATOM 1227 CD2 LEU A 73 -1.118 -7.209 0.359 1.00 1.00 C ATOM 0 H LEU A 73 1.089 -9.150 2.589 1.00 1.00 H new ATOM 0 HA LEU A 73 0.682 -9.050 -0.243 1.00 1.00 H new ATOM 0 HB2 LEU A 73 2.060 -7.147 1.677 1.00 1.00 H new ATOM 0 HB3 LEU A 73 1.586 -6.772 0.032 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.294 -7.484 2.306 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -1.031 -5.147 2.110 1.00 1.00 H new ATOM 0 HD12 LEU A 73 0.692 -5.265 2.543 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.219 -4.862 0.875 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -2.091 -6.885 0.729 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.882 -6.671 -0.559 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -1.145 -8.279 0.155 1.00 1.00 H new ATOM 1239 N ARG A 74 2.872 -9.563 -1.254 1.00 1.00 N ATOM 1240 CA ARG A 74 4.115 -10.063 -1.833 1.00 1.00 C ATOM 1241 C ARG A 74 4.600 -9.159 -2.959 1.00 1.00 C ATOM 1242 O ARG A 74 3.836 -8.358 -3.497 1.00 1.00 O ATOM 1243 CB ARG A 74 3.923 -11.485 -2.375 1.00 1.00 C ATOM 1244 CG ARG A 74 3.517 -12.521 -1.332 1.00 1.00 C ATOM 1245 CD ARG A 74 4.620 -12.786 -0.315 1.00 1.00 C ATOM 1246 NE ARG A 74 4.741 -11.715 0.674 1.00 1.00 N ATOM 1247 CZ ARG A 74 5.327 -11.857 1.861 1.00 1.00 C ATOM 1248 NH1 ARG A 74 5.916 -13.001 2.189 1.00 1.00 N ATOM 1249 NH2 ARG A 74 5.338 -10.836 2.713 1.00 1.00 N ATOM 0 H ARG A 74 2.088 -9.527 -1.906 1.00 1.00 H new ATOM 0 HA ARG A 74 4.864 -10.073 -1.041 1.00 1.00 H new ATOM 0 HB2 ARG A 74 3.163 -11.461 -3.156 1.00 1.00 H new ATOM 0 HB3 ARG A 74 4.853 -11.808 -2.844 1.00 1.00 H new ATOM 0 HG2 ARG A 74 2.622 -12.178 -0.812 1.00 1.00 H new ATOM 0 HG3 ARG A 74 3.257 -13.454 -1.833 1.00 1.00 H new ATOM 0 HD2 ARG A 74 4.419 -13.727 0.197 1.00 1.00 H new ATOM 0 HD3 ARG A 74 5.570 -12.903 -0.837 1.00 1.00 H new ATOM 0 HE ARG A 74 4.352 -10.802 0.439 1.00 1.00 H new ATOM 0 HH11 ARG A 74 5.922 -13.779 1.530 1.00 1.00 H new ATOM 0 HH12 ARG A 74 6.363 -13.102 3.100 1.00 1.00 H new ATOM 0 HH21 ARG A 74 4.899 -9.952 2.455 1.00 1.00 H new ATOM 0 HH22 ARG A 74 5.785 -10.937 3.624 1.00 1.00 H new ATOM 1263 N ASN A 75 5.874 -9.297 -3.306 1.00 1.00 N ATOM 1264 CA ASN A 75 6.460 -8.555 -4.417 1.00 1.00 C ATOM 1265 C ASN A 75 5.795 -8.955 -5.724 1.00 1.00 C ATOM 1266 O ASN A 75 5.879 -10.110 -6.149 1.00 1.00 O ATOM 1267 CB ASN A 75 7.971 -8.801 -4.504 1.00 1.00 C ATOM 1268 CG ASN A 75 8.733 -8.195 -3.342 1.00 1.00 C ATOM 1269 OD1 ASN A 75 8.205 -8.050 -2.242 1.00 1.00 O ATOM 1270 ND2 ASN A 75 9.983 -7.831 -3.577 1.00 1.00 N ATOM 0 H ASN A 75 6.526 -9.921 -2.830 1.00 1.00 H new ATOM 0 HA ASN A 75 6.293 -7.492 -4.240 1.00 1.00 H new ATOM 0 HB2 ASN A 75 8.158 -9.874 -4.535 1.00 1.00 H new ATOM 0 HB3 ASN A 75 8.349 -8.384 -5.437 1.00 1.00 H new ATOM 0 HD21 ASN A 75 10.542 -7.415 -2.832 1.00 1.00 H new ATOM 0 HD22 ASN A 75 10.388 -7.967 -4.503 1.00 1.00 H new ATOM 1277 N GLY A 76 5.124 -8.002 -6.346 1.00 1.00 N ATOM 1278 CA GLY A 76 4.407 -8.281 -7.571 1.00 1.00 C ATOM 1279 C GLY A 76 2.914 -8.151 -7.393 1.00 1.00 C ATOM 1280 O GLY A 76 2.157 -8.157 -8.367 1.00 1.00 O ATOM 0 H GLY A 76 5.062 -7.036 -6.024 1.00 1.00 H new ATOM 0 HA2 GLY A 76 4.740 -7.596 -8.351 1.00 1.00 H new ATOM 0 HA3 GLY A 76 4.646 -9.289 -7.909 1.00 1.00 H new ATOM 1284 N ASP A 77 2.489 -8.035 -6.146 1.00 1.00 N ATOM 1285 CA ASP A 77 1.073 -7.936 -5.825 1.00 1.00 C ATOM 1286 C ASP A 77 0.574 -6.516 -6.015 1.00 1.00 C ATOM 1287 O ASP A 77 1.357 -5.572 -6.099 1.00 1.00 O ATOM 1288 CB ASP A 77 0.816 -8.409 -4.398 1.00 1.00 C ATOM 1289 CG ASP A 77 -0.653 -8.413 -4.017 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -1.500 -8.709 -4.891 1.00 1.00 O ATOM 1291 OD2 ASP A 77 -0.966 -8.155 -2.840 1.00 1.00 O ATOM 0 H ASP A 77 3.107 -8.007 -5.335 1.00 1.00 H new ATOM 0 HA ASP A 77 0.522 -8.582 -6.508 1.00 1.00 H new ATOM 0 HB2 ASP A 77 1.217 -9.416 -4.280 1.00 1.00 H new ATOM 0 HB3 ASP A 77 1.361 -7.766 -3.707 1.00 1.00 H new ATOM 1296 N THR A 78 -0.728 -6.382 -6.091 1.00 1.00 N ATOM 1297 CA THR A 78 -1.354 -5.107 -6.397 1.00 1.00 C ATOM 1298 C THR A 78 -2.329 -4.688 -5.296 1.00 1.00 C ATOM 1299 O THR A 78 -3.095 -5.506 -4.782 1.00 1.00 O ATOM 1300 CB THR A 78 -2.104 -5.178 -7.745 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.216 -5.657 -8.765 1.00 1.00 O ATOM 1302 CG2 THR A 78 -2.651 -3.816 -8.150 1.00 1.00 C ATOM 0 H THR A 78 -1.386 -7.147 -5.944 1.00 1.00 H new ATOM 0 HA THR A 78 -0.560 -4.363 -6.463 1.00 1.00 H new ATOM 0 HB THR A 78 -2.944 -5.862 -7.628 1.00 1.00 H new ATOM 0 HG1 THR A 78 -1.694 -5.703 -9.619 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.173 -3.902 -9.103 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.344 -3.461 -7.388 1.00 1.00 H new ATOM 0 HG23 THR A 78 -1.828 -3.108 -8.250 1.00 1.00 H new ATOM 1310 N MET A 79 -2.272 -3.415 -4.924 1.00 1.00 N ATOM 1311 CA MET A 79 -3.242 -2.824 -4.013 1.00 1.00 C ATOM 1312 C MET A 79 -3.680 -1.476 -4.550 1.00 1.00 C ATOM 1313 O MET A 79 -3.058 -0.926 -5.457 1.00 1.00 O ATOM 1314 CB MET A 79 -2.677 -2.628 -2.605 1.00 1.00 C ATOM 1315 CG MET A 79 -2.492 -3.907 -1.811 1.00 1.00 C ATOM 1316 SD MET A 79 -2.324 -3.590 -0.047 1.00 1.00 S ATOM 1317 CE MET A 79 -1.002 -2.386 -0.064 1.00 1.00 C ATOM 0 H MET A 79 -1.554 -2.766 -5.245 1.00 1.00 H new ATOM 0 HA MET A 79 -4.084 -3.513 -3.946 1.00 1.00 H new ATOM 0 HB2 MET A 79 -1.715 -2.122 -2.682 1.00 1.00 H new ATOM 0 HB3 MET A 79 -3.342 -1.966 -2.051 1.00 1.00 H new ATOM 0 HG2 MET A 79 -3.344 -4.565 -1.981 1.00 1.00 H new ATOM 0 HG3 MET A 79 -1.607 -4.432 -2.171 1.00 1.00 H new ATOM 0 HE1 MET A 79 -0.455 -2.433 0.878 1.00 1.00 H new ATOM 0 HE2 MET A 79 -0.323 -2.603 -0.889 1.00 1.00 H new ATOM 0 HE3 MET A 79 -1.421 -1.388 -0.191 1.00 1.00 H new ATOM 1327 N GLU A 80 -4.738 -0.937 -3.984 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.215 0.369 -4.386 1.00 1.00 C ATOM 1329 C GLU A 80 -5.210 1.329 -3.212 1.00 1.00 C ATOM 1330 O GLU A 80 -5.973 1.162 -2.267 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.627 0.276 -4.955 1.00 1.00 C ATOM 1332 CG GLU A 80 -6.711 -0.465 -6.272 1.00 1.00 C ATOM 1333 CD GLU A 80 -8.116 -0.482 -6.820 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -8.706 0.609 -6.980 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -8.640 -1.580 -7.087 1.00 1.00 O ATOM 0 H GLU A 80 -5.284 -1.381 -3.246 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.542 0.744 -5.157 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -7.269 -0.222 -4.228 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.020 1.283 -5.091 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -6.045 0.005 -6.996 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.362 -1.489 -6.135 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.341 2.320 -3.255 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.417 3.390 -2.280 1.00 1.00 C ATOM 1344 C TYR A 81 -5.383 4.436 -2.803 1.00 1.00 C ATOM 1345 O TYR A 81 -5.066 5.191 -3.718 1.00 1.00 O ATOM 1346 CB TYR A 81 -3.042 4.007 -1.979 1.00 1.00 C ATOM 1347 CG TYR A 81 -3.096 5.103 -0.943 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -3.405 6.407 -1.303 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -2.841 4.836 0.391 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -3.456 7.411 -0.365 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -2.891 5.835 1.339 1.00 1.00 C ATOM 1352 CZ TYR A 81 -3.197 7.122 0.957 1.00 1.00 C ATOM 1353 OH TYR A 81 -3.245 8.122 1.900 1.00 1.00 O ATOM 0 H TYR A 81 -3.589 2.407 -3.939 1.00 1.00 H new ATOM 0 HA TYR A 81 -4.774 2.984 -1.334 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.367 3.224 -1.635 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -2.621 4.408 -2.901 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -3.609 6.637 -2.338 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -2.599 3.828 0.694 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -3.698 8.421 -0.663 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -2.691 5.610 2.376 1.00 1.00 H new ATOM 0 HH TYR A 81 -3.039 7.749 2.783 1.00 1.00 H new ATOM 1363 N ARG A 82 -6.570 4.456 -2.235 1.00 1.00 N ATOM 1364 CA ARG A 82 -7.632 5.308 -2.733 1.00 1.00 C ATOM 1365 C ARG A 82 -8.487 5.814 -1.587 1.00 1.00 C ATOM 1366 O ARG A 82 -8.424 5.285 -0.477 1.00 1.00 O ATOM 1367 CB ARG A 82 -8.491 4.535 -3.741 1.00 1.00 C ATOM 1368 CG ARG A 82 -9.031 3.219 -3.200 1.00 1.00 C ATOM 1369 CD ARG A 82 -9.805 2.448 -4.259 1.00 1.00 C ATOM 1370 NE ARG A 82 -10.952 3.202 -4.763 1.00 1.00 N ATOM 1371 CZ ARG A 82 -11.462 3.057 -5.987 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -10.942 2.176 -6.838 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -12.497 3.801 -6.359 1.00 1.00 N ATOM 0 H ARG A 82 -6.826 3.891 -1.425 1.00 1.00 H new ATOM 0 HA ARG A 82 -7.188 6.168 -3.234 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -9.328 5.162 -4.049 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -7.898 4.335 -4.633 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -8.204 2.608 -2.838 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -9.680 3.416 -2.347 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -9.140 2.205 -5.088 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -10.150 1.503 -3.839 1.00 1.00 H new ATOM 0 HE ARG A 82 -11.389 3.881 -4.140 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -10.146 1.604 -6.557 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -11.340 2.073 -7.772 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -12.897 4.479 -5.710 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -12.892 3.695 -7.294 1.00 1.00 H new ATOM 1387 N LYS A 83 -9.263 6.853 -1.855 1.00 1.00 N ATOM 1388 CA LYS A 83 -10.186 7.390 -0.871 1.00 1.00 C ATOM 1389 C LYS A 83 -11.223 6.334 -0.515 1.00 1.00 C ATOM 1390 O LYS A 83 -11.838 5.738 -1.405 1.00 1.00 O ATOM 1391 CB LYS A 83 -10.867 8.650 -1.416 1.00 1.00 C ATOM 1392 CG LYS A 83 -11.794 9.330 -0.420 1.00 1.00 C ATOM 1393 CD LYS A 83 -12.430 10.582 -1.006 1.00 1.00 C ATOM 1394 CE LYS A 83 -13.279 10.258 -2.225 1.00 1.00 C ATOM 1395 NZ LYS A 83 -13.957 11.464 -2.772 1.00 1.00 N ATOM 0 H LYS A 83 -9.271 7.342 -2.750 1.00 1.00 H new ATOM 0 HA LYS A 83 -9.634 7.662 0.029 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -10.100 9.360 -1.727 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.437 8.386 -2.307 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -12.575 8.633 -0.116 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.234 9.592 0.478 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -13.048 11.066 -0.249 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -11.650 11.292 -1.283 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.650 9.815 -2.997 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -14.027 9.512 -1.957 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -14.525 11.197 -3.602 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -14.578 11.873 -2.045 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -13.243 12.166 -3.053 1.00 1.00 H new ATOM 1409 N LYS A 84 -11.391 6.088 0.778 1.00 1.00 N ATOM 1410 CA LYS A 84 -12.321 5.068 1.248 1.00 1.00 C ATOM 1411 C LYS A 84 -13.734 5.360 0.767 1.00 1.00 C ATOM 1412 O LYS A 84 -14.309 6.403 1.083 1.00 1.00 O ATOM 1413 CB LYS A 84 -12.292 4.972 2.771 1.00 1.00 C ATOM 1414 CG LYS A 84 -10.974 4.454 3.319 1.00 1.00 C ATOM 1415 CD LYS A 84 -11.045 4.244 4.819 1.00 1.00 C ATOM 1416 CE LYS A 84 -9.747 3.675 5.366 1.00 1.00 C ATOM 1417 NZ LYS A 84 -9.854 3.370 6.815 1.00 1.00 N ATOM 0 H LYS A 84 -10.895 6.581 1.521 1.00 1.00 H new ATOM 0 HA LYS A 84 -12.006 4.111 0.833 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -12.490 5.957 3.193 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -13.097 4.316 3.101 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -10.719 3.514 2.830 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -10.178 5.161 3.086 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -11.263 5.193 5.310 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -11.867 3.568 5.054 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -9.488 2.768 4.820 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -8.939 4.387 5.202 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -8.951 2.983 7.156 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -10.077 4.241 7.338 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -10.609 2.672 6.968 1.00 1.00 H new ATOM 1431 N GLN A 85 -14.280 4.439 -0.009 1.00 1.00 N ATOM 1432 CA GLN A 85 -15.590 4.620 -0.598 1.00 1.00 C ATOM 1433 C GLN A 85 -16.533 3.524 -0.120 1.00 1.00 C ATOM 1434 O GLN A 85 -16.538 2.436 -0.726 1.00 1.00 O ATOM 1435 CB GLN A 85 -15.483 4.610 -2.125 1.00 1.00 C ATOM 1436 CG GLN A 85 -16.709 5.161 -2.829 1.00 1.00 C ATOM 1437 CD GLN A 85 -17.020 6.586 -2.411 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -17.781 6.817 -1.470 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -16.421 7.550 -3.094 1.00 1.00 N ATOM 1440 OXT GLN A 85 -17.254 3.752 0.873 1.00 1.00 O ATOM 0 H GLN A 85 -13.831 3.554 -0.245 1.00 1.00 H new ATOM 0 HA GLN A 85 -15.992 5.583 -0.285 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -14.612 5.194 -2.423 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -15.312 3.587 -2.461 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -16.552 5.127 -3.907 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -17.567 4.525 -2.611 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -15.798 7.316 -3.867 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -16.583 8.526 -2.847 1.00 1.00 H new TER 1449 GLN A 85